#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqh n THR 7 N 0.00 -0.16 0.00 -3.53 -2.24 -1.26 -4.95 114.28 102.14 1nqh n THR 7 Ca 0.00 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1nqh n THR 7 Cb 0.00 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1nqh n THR 7 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nqh n LEU 8 N 1.78 0.00 -1.54 3.22 4.77 -1.23 -4.69 117.00 119.31 1nqh n LEU 8 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1nqh n LEU 8 Cb 0.60 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 1nqh n LEU 8 CO 0.06 0.00 -0.28 0.52 -1.33 0.00 0.00 177.39 176.36 1nqh n VAL 9 N 0.00 -3.29 -2.62 4.08 0.31 -1.24 -3.13 118.33 112.44 1nqh n VAL 9 Ca 0.00 1.52 -0.11 0.00 -0.01 0.00 0.00 64.34 65.73 1nqh n VAL 9 Cb 0.00 -2.04 0.03 0.00 -0.91 0.00 0.00 33.84 30.92 1nqh n VAL 9 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1nqh n VAL 10 N -0.42 1.40 -1.29 2.52 0.24 -1.26 -2.94 118.33 116.58 1nqh n VAL 10 Ca 0.00 -3.44 0.01 0.00 -2.04 0.00 0.00 64.34 58.87 1nqh n VAL 10 Cb 0.00 0.33 0.02 0.00 -1.47 0.00 0.00 33.84 32.72 1nqh n VAL 10 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nqh n THR 11 N -0.30 0.36 -0.09 3.34 -2.24 -1.26 -3.62 114.28 110.48 1nqh n THR 11 Ca 0.16 -0.41 -0.22 0.00 -2.27 0.00 0.00 64.05 61.31 1nqh n THR 11 Cb 0.80 0.58 -0.12 0.00 -2.10 0.00 0.00 70.33 69.49 1nqh n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqh n ALA 12 N -0.25 0.81 -0.26 6.98 0.00 -1.26 -4.33 120.51 122.20 1nqh n ALA 12 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 53.44 52.96 1nqh n ALA 12 Cb 0.57 -0.57 0.02 0.00 0.00 0.00 0.00 19.45 19.46 1nqh n ALA 12 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1nqh n ASN 13 N -4.27 1.83 0.00 0.00 2.04 -1.26 -4.96 115.26 108.64 1nqh n ASN 13 Ca -0.33 -2.05 0.00 0.00 -0.44 0.00 0.00 54.58 51.77 1nqh n ASN 13 Cb 0.75 -0.06 0.00 0.00 -2.53 0.00 0.00 39.78 37.94 1nqh n ASN 13 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1nqh n ARG 14 N -0.57 0.00 -4.19 -3.83 0.00 -1.24 -4.98 116.66 101.86 1nqh n ARG 14 Ca 0.02 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.62 1nqh n ARG 14 Cb 0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 32.46 32.42 1nqh n ARG 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 1nqh s PHE 15 N -2.42 2.60 0.70 -0.14 0.40 -1.25 -4.81 117.98 113.07 1nqh s PHE 15 Ca 0.00 -0.54 -0.16 0.00 -0.60 0.00 0.00 56.93 55.63 1nqh s PHE 15 Cb 0.00 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.71 1nqh s PHE 15 CO 0.00 0.27 1.08 0.39 0.70 0.00 0.00 175.22 177.66 1nqh n GLU 16 N -1.16 0.66 0.00 0.44 1.02 -1.26 -4.57 120.64 115.77 1nqh n GLU 16 Ca -0.02 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 1nqh n GLU 16 Cb 0.64 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.74 1nqh n GLU 16 CO 0.00 0.00 0.00 0.94 1.18 0.00 0.00 177.13 179.25 1nqh n GLN 17 N -1.96 0.00 -3.38 3.49 7.27 -1.15 -5.00 117.38 116.65 1nqh n GLN 17 Ca 0.14 0.00 -0.38 0.00 0.07 0.00 0.00 57.00 56.83 1nqh n GLN 17 Cb 0.49 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.08 1nqh n GLN 17 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1nqh s PRO 18 N -2.00 4.19 0.12 3.69 0.02 -1.25 -3.50 135.00 136.26 1nqh s PRO 18 Ca 0.00 0.46 -0.22 0.00 0.02 0.00 0.00 61.00 61.25 1nqh s PRO 18 Cb 0.00 -3.35 -0.06 0.00 0.02 0.00 0.00 34.50 31.11 1nqh s PRO 18 CO 0.00 0.39 1.70 0.00 -0.33 0.00 0.00 177.00 178.75 1nqh h ARG 19 N 5.83 -0.11 -0.06 5.54 3.08 -1.84 4.76 114.38 131.58 1nqh h ARG 19 Ca -0.45 0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.63 1nqh h ARG 19 Cb 1.19 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1nqh h ARG 19 CO 0.70 -0.07 0.02 -1.13 -1.07 0.00 0.00 179.97 178.41 1nqh n SER 20 N -5.22 0.01 -1.94 7.04 3.41 -1.26 -0.45 113.62 115.21 1nqh n SER 20 Ca -0.04 0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1nqh n SER 20 Cb 0.15 -0.05 0.32 0.00 -0.26 0.00 0.00 64.21 64.37 1nqh n SER 20 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1nqh n THR 21 N -3.46 2.78 -4.04 6.66 5.66 1.56 -4.64 114.28 118.81 1nqh n THR 21 Ca 0.02 -1.49 -0.31 0.00 -3.05 0.00 0.00 64.05 59.22 1nqh n THR 21 Cb 0.07 -0.36 -0.16 0.00 -1.55 0.00 0.00 70.33 68.33 1nqh n THR 21 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1nqh s VAL 22 N -2.82 1.78 -0.84 1.08 1.01 0.41 -4.93 120.40 116.07 1nqh s VAL 22 Ca 0.53 -0.99 0.18 0.00 0.00 0.00 0.00 61.98 61.70 1nqh s VAL 22 Cb 0.41 -1.76 0.17 0.00 0.00 0.00 0.00 36.38 35.20 1nqh s VAL 22 CO 0.14 0.28 1.58 0.18 0.00 0.00 0.00 175.10 177.27 1nqh n LEU 23 N 4.66 0.21 -4.90 3.92 4.77 -1.26 -4.77 117.00 119.64 1nqh n LEU 23 Ca -0.16 0.55 -0.21 0.00 -0.03 0.00 0.00 56.01 56.16 1nqh n LEU 23 Cb 0.47 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 1nqh n LEU 23 CO 0.22 -0.32 -0.05 0.00 -1.33 0.00 0.00 177.39 175.91 1nqh s ALA 24 N -3.09 3.92 -0.10 -1.18 0.00 -1.26 -5.01 121.76 115.03 1nqh s ALA 24 Ca 0.07 -1.53 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1nqh s ALA 24 Cb 0.10 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 1nqh s ALA 24 CO 0.33 0.05 0.99 -2.14 0.00 0.00 0.00 175.76 174.99 1nqh s PRO 25 N -4.02 4.42 0.13 0.00 0.02 -1.26 -4.87 135.00 129.42 1nqh s PRO 25 Ca 0.40 1.36 0.04 0.00 0.02 0.00 0.00 61.00 62.82 1nqh s PRO 25 Cb -0.07 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.86 1nqh s PRO 25 CO 0.28 -0.30 -0.09 0.95 -0.33 0.00 0.00 177.00 177.51 1nqh s THR 26 N 1.96 1.04 -0.05 0.99 -4.23 -1.26 -0.43 115.64 113.66 1nqh s THR 26 Ca 0.48 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.81 1nqh s THR 26 Cb -0.18 -1.78 0.03 0.00 1.34 0.00 0.00 72.50 71.91 1nqh s THR 26 CO 0.18 -0.77 0.37 -0.89 -0.54 0.00 0.00 174.62 172.97 1nqh s THR 27 N -3.36 0.04 0.00 3.99 2.01 0.33 -4.96 115.64 113.69 1nqh s THR 27 Ca 0.15 -0.31 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1nqh s THR 27 Cb 0.03 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.89 1nqh s THR 27 CO -0.01 -0.17 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.00 1nqh s VAL 28 N -0.93 0.48 -0.07 3.82 1.01 -1.26 -1.97 120.40 121.48 1nqh s VAL 28 Ca -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.57 1nqh s VAL 28 Cb -0.04 -0.43 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 1nqh s VAL 28 CO 0.04 0.06 -0.24 -0.69 0.00 0.00 0.00 175.10 174.27 1nqh s VAL 29 N -0.30 2.01 0.50 2.92 1.01 0.67 -4.95 120.40 122.26 1nqh s VAL 29 Ca 0.01 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.04 1nqh s VAL 29 Cb -0.03 -1.71 0.03 0.00 0.00 0.00 0.00 36.38 34.67 1nqh s VAL 29 CO -0.00 0.56 0.52 0.42 0.00 0.00 0.00 175.10 176.60 1nqh s THR 30 N 0.02 2.21 0.02 3.92 -4.23 -1.26 -0.89 115.64 115.43 1nqh s THR 30 Ca -0.09 -1.26 -0.14 0.00 -1.18 0.00 0.00 61.69 59.02 1nqh s THR 30 Cb -0.15 -2.48 -0.08 0.00 1.34 0.00 0.00 72.50 71.14 1nqh s THR 30 CO 0.05 0.00 1.13 0.03 -0.54 0.00 0.00 174.62 175.29 1nqh h ARG 31 N 0.66 -0.48 -0.42 3.99 2.47 -1.86 -1.17 114.38 117.57 1nqh h ARG 31 Ca -0.36 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.45 1nqh h ARG 31 Cb 1.29 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 29.65 1nqh h ARG 31 CO 0.51 -0.32 -0.19 1.04 0.56 0.00 0.00 179.97 181.58 1nqh n GLN 32 N -3.42 -0.12 -0.03 0.04 6.02 -1.26 0.28 117.38 118.89 1nqh n GLN 32 Ca -0.06 0.64 -0.03 0.00 -0.01 0.00 0.00 57.00 57.54 1nqh n GLN 32 Cb 0.20 -0.94 -0.02 0.00 1.02 0.00 0.00 30.24 30.49 1nqh n GLN 32 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1nqh h ASP 33 N 0.00 -0.37 -0.61 1.08 3.32 -1.77 1.00 116.42 119.08 1nqh h ASP 33 Ca 0.12 0.05 0.13 0.00 0.02 0.00 0.00 57.03 57.34 1nqh h ASP 33 Cb 0.23 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1nqh h ASP 33 CO -0.41 -0.08 0.41 0.40 -1.72 0.00 0.00 179.24 177.85 1nqh h ILE 34 N -0.08 0.82 -0.24 0.35 2.04 0.52 0.18 117.51 121.11 1nqh h ILE 34 Ca 0.01 -0.10 -0.18 0.00 1.00 0.00 0.00 64.86 65.60 1nqh h ILE 34 Cb 0.12 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1nqh h ILE 34 CO -0.12 0.05 -0.55 0.44 0.00 0.00 0.00 178.15 177.98 1nqh h ASP 35 N 0.28 0.89 -0.65 1.72 3.32 -0.24 -0.13 116.42 121.62 1nqh h ASP 35 Ca 0.29 -0.56 0.14 0.00 0.02 0.00 0.00 57.03 56.92 1nqh h ASP 35 Cb 0.75 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 39.92 1nqh h ASP 35 CO -0.07 1.29 -0.07 0.03 -1.72 0.00 0.00 179.24 178.71 1nqh h ARG 36 N 0.54 0.06 0.00 3.56 2.47 0.47 -3.12 114.38 118.35 1nqh h ARG 36 Ca -0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1nqh h ARG 36 Cb 1.16 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.47 1nqh h ARG 36 CO 0.12 0.04 0.00 0.91 0.56 0.00 0.00 179.97 181.60 1nqh n TRP 37 N -5.36 0.87 -1.29 3.04 8.01 0.49 -4.79 117.44 118.42 1nqh n TRP 37 Ca 0.09 0.27 -0.10 0.00 -1.31 0.00 0.00 57.50 56.45 1nqh n TRP 37 Cb 0.36 -0.94 -0.04 0.00 -2.01 0.00 0.00 31.31 28.68 1nqh n TRP 37 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 1nqh n GLN 38 N -2.23 -1.68 -1.07 -0.99 6.02 -0.20 -4.94 117.38 112.28 1nqh n GLN 38 Ca 0.05 0.84 -0.38 0.00 -0.01 0.00 0.00 57.00 57.49 1nqh n GLN 38 Cb 0.38 -5.24 -0.03 0.00 1.02 0.00 0.00 30.24 26.37 1nqh n GLN 38 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1nqh n SER 39 N -1.11 -0.70 0.00 1.08 7.64 -1.22 -4.91 113.62 114.40 1nqh n SER 39 Ca -0.10 0.86 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1nqh n SER 39 Cb 0.57 -0.71 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1nqh n SER 39 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1nqh n THR 40 N 0.29 0.68 -3.45 0.44 -2.24 -1.26 -5.00 114.28 103.75 1nqh n THR 40 Ca 0.14 -0.78 -0.12 0.00 -2.27 0.00 0.00 64.05 61.02 1nqh n THR 40 Cb 0.16 0.69 -0.03 0.00 -2.10 0.00 0.00 70.33 69.04 1nqh n THR 40 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1nqh s SER 41 N -0.68 -0.55 0.26 3.42 1.04 -1.26 -4.90 113.70 111.03 1nqh s SER 41 Ca 0.00 0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1nqh s SER 41 Cb 0.00 0.55 0.31 0.00 0.10 0.00 0.00 66.02 66.98 1nqh s SER 41 CO 0.00 -0.85 1.92 0.58 0.98 0.00 0.00 173.24 175.87 1nqh h VAL 42 N 2.16 1.21 -0.96 5.02 2.07 -1.78 -1.78 116.25 122.19 1nqh h VAL 42 Ca -0.31 -0.45 0.25 0.00 0.82 0.00 0.00 66.70 67.01 1nqh h VAL 42 Cb 1.27 -0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.77 1nqh h VAL 42 CO 0.37 0.24 0.66 0.78 0.02 0.00 0.00 177.57 179.63 1nqh h ASN 43 N 1.31 0.22 0.07 0.57 2.35 -1.95 0.05 115.58 118.21 1nqh h ASN 43 Ca 0.39 0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1nqh h ASN 43 Cb -0.07 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1nqh h ASN 43 CO -0.10 0.07 -0.03 -0.78 -1.65 0.00 0.00 177.43 174.93 1nqh h ASP 44 N 0.21 -0.08 0.14 5.81 -0.00 -1.72 -1.79 116.42 118.98 1nqh h ASP 44 Ca 0.49 -0.50 0.02 0.00 -0.00 0.00 0.00 57.03 57.04 1nqh h ASP 44 Cb 1.55 0.02 -0.04 0.00 -0.00 0.00 0.00 39.33 40.87 1nqh h ASP 44 CO -0.12 0.50 -0.32 0.58 -0.00 0.00 0.00 179.24 179.88 1nqh h VAL 45 N -0.71 0.32 -0.67 2.25 2.07 -1.41 -3.29 116.25 114.81 1nqh h VAL 45 Ca -0.01 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.62 1nqh h VAL 45 Cb 0.57 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.58 1nqh h VAL 45 CO 0.02 0.00 0.27 -0.07 0.02 0.00 0.00 177.57 177.80 1nqh h LEU 46 N -0.56 0.28 -2.50 2.57 3.38 -0.78 -2.35 115.31 115.35 1nqh h LEU 46 Ca 0.03 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1nqh h LEU 46 Cb 0.58 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1nqh h LEU 46 CO -0.17 0.15 0.07 0.08 0.09 0.00 0.00 178.44 178.65 1nqh h ARG 47 N 0.45 0.00 0.00 1.13 0.11 -1.40 0.17 114.38 114.85 1nqh h ARG 47 Ca 0.34 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.34 1nqh h ARG 47 Cb 0.45 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.51 1nqh h ARG 47 CO -0.33 0.00 -0.41 0.00 0.10 0.00 0.00 179.97 179.33 1nqh h ARG 48 N 0.00 0.00 -6.93 0.08 3.08 -1.58 -3.47 114.38 105.56 1nqh h ARG 48 Ca 0.02 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.62 1nqh h ARG 48 Cb 0.15 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.25 1nqh h ARG 48 CO -0.00 0.41 0.04 -0.51 -1.07 0.00 0.00 179.97 178.83 1nqh s LEU 49 N -8.06 3.30 0.51 3.04 1.43 0.61 -4.97 118.68 114.55 1nqh s LEU 49 Ca -0.02 0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 53.16 1nqh s LEU 49 Cb 0.14 -3.14 -0.06 0.00 0.03 0.00 0.00 46.19 43.16 1nqh s LEU 49 CO 0.73 -1.07 1.40 -2.65 0.23 0.00 0.00 176.35 174.99 1nqh n PRO 50 N -2.41 1.92 -0.94 1.29 -0.02 -1.26 -3.33 135.00 130.25 1nqh n PRO 50 Ca 0.05 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1nqh n PRO 50 Cb 0.59 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1nqh n PRO 50 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nqh n GLY 51 N 0.68 0.46 3.62 -1.23 0.00 -1.26 -4.94 105.19 102.52 1nqh n GLY 51 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 1nqh n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqh s VAL 52 N -2.18 5.03 -0.16 1.61 1.01 -1.21 -0.37 120.40 124.13 1nqh s VAL 52 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1nqh s VAL 52 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 33.07 1nqh s VAL 52 CO 0.00 0.38 -0.21 -0.62 0.00 0.00 0.00 175.10 174.65 1nqh s ASP 53 N 0.94 3.11 0.17 3.32 -1.08 -0.84 -4.92 116.67 117.36 1nqh s ASP 53 Ca 0.06 -0.63 0.10 0.00 -0.52 0.00 0.00 52.55 51.56 1nqh s ASP 53 Cb -0.13 -1.46 -0.04 0.00 -1.46 0.00 0.00 42.92 39.83 1nqh s ASP 53 CO 0.03 0.03 -0.16 -0.63 0.52 0.00 0.00 175.17 174.97 1nqh s ILE 54 N 1.09 2.88 0.04 4.11 -1.09 -1.26 0.28 121.20 127.24 1nqh s ILE 54 Ca -0.00 -1.72 -0.04 0.00 -2.23 0.00 0.00 60.65 56.65 1nqh s ILE 54 Cb -0.14 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.33 1nqh s ILE 54 CO -0.08 -0.06 0.07 0.42 -1.23 0.00 0.00 174.94 174.06 1nqh s THR 55 N -1.55 0.14 -0.09 2.92 -4.23 -0.52 -4.97 115.64 107.34 1nqh s THR 55 Ca 0.22 -1.19 -0.05 0.00 -1.18 0.00 0.00 61.69 59.49 1nqh s THR 55 Cb -0.09 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.85 1nqh s THR 55 CO 0.12 -0.66 0.22 -1.58 -0.54 0.00 0.00 174.62 172.19 1nqh s GLN 56 N -2.74 0.18 0.00 3.99 0.74 -1.26 -1.99 119.66 118.58 1nqh s GLN 56 Ca -0.04 0.48 0.00 0.00 0.05 0.00 0.00 55.36 55.85 1nqh s GLN 56 Cb -0.00 -0.13 0.00 0.00 1.10 0.00 0.00 33.01 33.97 1nqh s GLN 56 CO -0.05 -0.16 1.18 0.09 -0.55 0.00 0.00 175.29 175.80 1nqh n ASN 57 N 4.19 3.23 0.00 6.67 3.02 -1.08 -3.83 115.26 127.46 1nqh n ASN 57 Ca -0.25 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.49 1nqh n ASN 57 Cb 0.53 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 1nqh n ASN 57 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqh n GLY 58 N 1.31 0.31 0.00 7.41 0.00 -1.26 -4.60 105.19 108.35 1nqh n GLY 58 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1nqh n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqh n GLY 59 N 0.00 1.64 3.60 -0.02 0.00 -1.26 -4.79 105.19 104.35 1nqh n GLY 59 Ca 0.00 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.79 1nqh n GLY 59 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqh n SER 60 N 0.00 0.95 0.00 1.61 7.64 -1.26 -2.68 113.62 119.88 1nqh n SER 60 Ca 0.00 0.97 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1nqh n SER 60 Cb 0.00 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 61.86 1nqh n SER 60 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nqh n GLY 61 N 1.26 2.99 3.83 0.23 0.00 -1.26 -4.73 105.19 107.51 1nqh n GLY 61 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 1nqh n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nqh s GLN 62 N -0.09 3.79 0.61 1.61 -1.52 -1.09 -4.87 119.66 118.09 1nqh s GLN 62 Ca 0.00 1.04 -0.18 0.00 -1.95 0.00 0.00 55.36 54.27 1nqh s GLN 62 Cb 0.00 -2.11 -0.10 0.00 -0.22 0.00 0.00 33.01 30.58 1nqh s GLN 62 CO 0.00 -0.41 0.22 -0.11 -0.25 0.00 0.00 175.29 174.74 1nqh n LEU 63 N -1.65 -1.15 -4.13 2.90 0.00 -1.26 -4.75 117.00 106.97 1nqh n LEU 63 Ca 0.07 0.64 -0.13 0.00 0.00 0.00 0.00 56.01 56.59 1nqh n LEU 63 Cb 0.54 -1.05 -0.07 0.00 0.00 0.00 0.00 43.42 42.84 1nqh n LEU 63 CO 0.46 -3.84 0.01 -0.94 0.00 0.00 0.00 177.39 173.07 1nqh s SER 64 N -1.17 0.58 -0.14 1.96 1.04 -1.26 -2.65 113.70 112.06 1nqh s SER 64 Ca 0.62 -1.37 -0.12 0.00 0.48 0.00 0.00 55.95 55.56 1nqh s SER 64 Cb -0.43 0.55 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1nqh s SER 64 CO 0.61 -1.10 0.37 -0.44 0.98 0.00 0.00 173.24 173.66 1nqh s SER 65 N -3.18 -0.40 -0.10 7.02 0.01 -0.84 -3.69 113.70 112.51 1nqh s SER 65 Ca 0.32 0.76 0.03 0.00 1.31 0.00 0.00 55.95 58.37 1nqh s SER 65 Cb 0.02 0.75 0.01 0.00 0.21 0.00 0.00 66.02 67.00 1nqh s SER 65 CO 0.16 -0.14 -0.18 -0.63 0.41 0.00 0.00 173.24 172.86 1nqh s ILE 66 N 0.45 1.66 -0.58 1.44 1.01 -1.26 -1.43 121.20 122.49 1nqh s ILE 66 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 59.88 1nqh s ILE 66 Cb -0.04 -1.48 0.15 0.00 0.01 0.00 0.00 42.46 41.09 1nqh s ILE 66 CO -0.02 0.47 0.35 -0.36 0.00 0.00 0.00 174.94 175.38 1nqh s PHE 67 N 0.73 3.29 0.05 3.97 0.40 0.79 -4.46 117.98 122.75 1nqh s PHE 67 Ca -0.11 -3.04 -0.34 0.00 -0.60 0.00 0.00 56.93 52.84 1nqh s PHE 67 Cb -0.16 -2.95 -0.12 0.00 0.51 0.00 0.00 43.02 40.30 1nqh s PHE 67 CO 0.02 -0.76 1.75 -0.89 0.70 0.00 0.00 175.22 176.04 1nqh n ILE 68 N 3.12 0.31 -3.20 0.64 2.08 -1.24 -1.99 119.36 119.08 1nqh n ILE 68 Ca 0.07 -0.06 -0.12 0.00 0.56 0.00 0.00 62.75 63.21 1nqh n ILE 68 Cb 0.34 -1.78 -0.03 0.00 -0.75 0.00 0.00 39.64 37.42 1nqh n ILE 68 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1nqh n ARG 69 N 5.18 -0.96 -0.94 0.38 1.74 0.50 -0.99 116.66 121.57 1nqh n ARG 69 Ca 0.20 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1nqh n ARG 69 Cb 0.30 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1nqh n ARG 69 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nqh n GLY 70 N -1.57 0.61 3.83 -0.13 0.00 -1.15 -4.98 105.19 101.79 1nqh n GLY 70 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 1nqh n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqh s THR 71 N -2.64 1.96 0.83 2.61 -4.23 -0.16 -4.94 115.64 109.07 1nqh s THR 71 Ca 0.00 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.39 1nqh s THR 71 Cb 0.00 -2.84 0.09 0.00 1.34 0.00 0.00 72.50 71.09 1nqh s THR 71 CO 0.00 0.00 1.14 0.21 -0.54 0.00 0.00 174.62 175.43 1nqh s ASN 72 N -4.34 4.23 0.00 3.99 3.04 -1.26 -4.50 114.94 116.11 1nqh s ASN 72 Ca 0.66 1.00 0.31 0.00 0.04 0.00 0.00 52.86 54.87 1nqh s ASN 72 Cb -0.11 -1.61 1.80 0.00 -1.54 0.00 0.00 41.25 39.80 1nqh s ASN 72 CO 0.52 -2.10 2.18 0.00 -3.04 0.00 0.00 177.10 174.66 1nqh n ALA 73 N -3.47 2.63 0.17 1.71 0.00 -1.26 -1.24 120.51 119.05 1nqh n ALA 73 Ca 0.07 -0.18 0.03 0.00 0.00 0.00 0.00 53.44 53.36 1nqh n ALA 73 Cb 0.59 -1.51 0.05 0.00 0.00 0.00 0.00 19.45 18.58 1nqh n ALA 73 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqh n SER 74 N -1.07 1.87 -1.80 0.00 3.41 -1.26 -4.13 113.62 110.64 1nqh n SER 74 Ca 0.21 -1.50 -0.13 0.00 -0.26 0.00 0.00 58.87 57.20 1nqh n SER 74 Cb 0.14 -0.04 0.16 0.00 -0.26 0.00 0.00 64.21 64.21 1nqh n SER 74 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nqh n HIS 75 N 0.32 2.05 -4.54 7.33 8.25 -0.37 -4.81 115.22 123.45 1nqh n HIS 75 Ca 0.05 -1.28 -0.24 0.00 -0.26 0.00 0.00 57.72 55.99 1nqh n HIS 75 Cb 0.23 -0.68 -0.14 0.00 1.12 0.00 0.00 29.99 30.52 1nqh n HIS 75 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nqh s VAL 76 N -2.32 1.54 -0.30 1.59 0.11 -1.19 -0.49 120.40 119.34 1nqh s VAL 76 Ca 0.40 -1.19 -0.10 0.00 -2.93 0.00 0.00 61.98 58.16 1nqh s VAL 76 Cb 0.33 -1.36 -0.02 0.00 -1.53 0.00 0.00 36.38 33.80 1nqh s VAL 76 CO 0.08 0.13 0.17 -0.22 -3.33 0.00 0.00 175.10 171.93 1nqh s LEU 77 N -1.25 4.09 -0.32 2.54 2.96 -1.20 -4.70 118.68 120.80 1nqh s LEU 77 Ca 0.06 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 1nqh s LEU 77 Cb -0.09 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.54 1nqh s LEU 77 CO 0.02 -0.16 0.22 -0.69 -1.32 0.00 0.00 176.35 174.42 1nqh s VAL 78 N 1.66 5.22 -0.12 1.68 1.01 -1.26 -0.88 120.40 127.72 1nqh s VAL 78 Ca 0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 61.98 61.86 1nqh s VAL 78 Cb -0.17 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1nqh s VAL 78 CO 0.08 0.05 -0.02 -0.76 0.00 0.00 0.00 175.10 174.44 1nqh s LEU 79 N 1.72 3.37 -0.25 3.92 1.43 0.23 -1.31 118.68 127.79 1nqh s LEU 79 Ca 0.06 -0.01 -0.08 0.00 -1.03 0.00 0.00 54.13 53.07 1nqh s LEU 79 Cb -0.17 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 1nqh s LEU 79 CO 0.10 0.27 0.10 -0.63 0.23 0.00 0.00 176.35 176.42 1nqh s ILE 80 N -0.24 4.54 -1.56 -0.59 -1.09 -0.68 0.36 121.20 121.93 1nqh s ILE 80 Ca 0.05 -0.10 -0.13 0.00 -2.23 0.00 0.00 60.65 58.24 1nqh s ILE 80 Cb -0.13 -3.13 0.10 0.00 -1.58 0.00 0.00 42.46 37.72 1nqh s ILE 80 CO 0.02 0.32 0.83 0.47 -1.23 0.00 0.00 174.94 175.36 1nqh n ASP 81 N 4.91 -3.52 0.00 3.58 8.00 -0.26 0.73 116.55 129.99 1nqh n ASP 81 Ca -0.16 -0.89 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1nqh n ASP 81 Cb 0.52 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 1nqh n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqh n GLY 82 N -1.62 0.57 3.01 0.44 0.00 -1.26 -5.03 105.19 101.30 1nqh n GLY 82 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1nqh n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqh s VAL 83 N -2.25 0.99 0.24 1.61 1.01 0.22 -4.97 120.40 117.24 1nqh s VAL 83 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 1nqh s VAL 83 Cb 0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 36.38 35.33 1nqh s VAL 83 CO 0.00 0.31 0.94 -1.14 0.00 0.00 0.00 175.10 175.22 1nqh n ARG 84 N 3.65 0.99 0.00 2.72 0.63 -1.26 -1.69 116.66 121.70 1nqh n ARG 84 Ca -0.22 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 1nqh n ARG 84 Cb 0.52 -1.67 0.00 0.00 0.45 0.00 0.00 32.46 31.76 1nqh n ARG 84 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1nqh n LEU 85 N 1.58 0.00 0.00 6.15 0.00 -0.42 -4.66 117.00 119.65 1nqh n LEU 85 Ca 0.13 0.22 0.00 0.00 0.00 0.00 0.00 56.01 56.36 1nqh n LEU 85 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.70 1nqh n LEU 85 CO 0.59 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.78 1nqh n ASN 86 N -0.30 0.00 -4.41 1.96 2.85 -1.26 -4.99 115.26 109.11 1nqh n ASN 86 Ca 0.00 0.00 -0.57 0.00 -0.11 0.00 0.00 54.58 53.90 1nqh n ASN 86 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1nqh n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1nqh n LEU 87 N 0.00 1.47 -4.85 1.20 -0.00 -1.26 -4.92 117.00 108.64 1nqh n LEU 87 Ca 0.00 0.67 -0.32 0.00 -0.00 0.00 0.00 56.01 56.36 1nqh n LEU 87 Cb 0.00 -1.06 -0.06 0.00 -0.00 0.00 0.00 43.42 42.31 1nqh n LEU 87 CO 0.00 -0.72 0.41 0.00 -0.00 0.00 0.00 177.39 177.08 1nqh s ALA 88 N 5.95 3.34 0.00 1.47 0.00 -1.26 -4.93 121.76 126.33 1nqh s ALA 88 Ca 1.13 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 53.07 1nqh s ALA 88 Cb -1.22 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 19.15 1nqh s ALA 88 CO 0.61 0.29 0.00 0.41 0.00 0.00 0.00 175.76 177.07 1nqh n GLY 89 N -0.51 0.15 2.54 0.00 0.00 -1.26 -4.78 105.19 101.33 1nqh n GLY 89 Ca 0.03 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.75 1nqh n GLY 89 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nqh n VAL 90 N 0.00 1.93 -2.96 1.61 0.24 -1.26 -4.84 118.33 113.04 1nqh n VAL 90 Ca 0.00 -4.35 -0.01 0.00 -2.04 0.00 0.00 64.34 57.94 1nqh n VAL 90 Cb 0.00 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 31.72 1nqh n VAL 90 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1nqh s SER 91 N -3.40 -1.40 0.00 -1.34 0.01 -1.26 -4.55 113.70 101.75 1nqh s SER 91 Ca 0.41 -1.18 0.00 0.00 1.31 0.00 0.00 55.95 56.49 1nqh s SER 91 Cb 0.42 1.82 0.00 0.00 0.21 0.00 0.00 66.02 68.47 1nqh s SER 91 CO -0.12 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1nqh n GLY 92 N 3.64 0.00 0.12 3.44 0.00 -1.26 -4.35 105.19 106.77 1nqh n GLY 92 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.14 1nqh n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqh n SER 93 N 0.00 0.00 -0.02 1.61 7.64 -1.26 -4.84 113.62 116.76 1nqh n SER 93 Ca 0.00 0.04 -0.06 0.00 1.01 0.00 0.00 58.87 59.86 1nqh n SER 93 Cb 0.00 -0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1nqh n SER 93 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nqh n ALA 94 N 0.06 2.13 -1.86 -0.43 0.00 -1.26 -4.89 120.51 114.25 1nqh n ALA 94 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 1nqh n ALA 94 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.65 1nqh n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nqh n ASP 95 N -3.82 -3.77 -0.95 0.00 -0.08 -1.24 -4.73 116.55 101.96 1nqh n ASP 95 Ca -0.10 0.37 -0.00 0.00 -1.51 0.00 0.00 54.79 53.55 1nqh n ASP 95 Cb 0.33 -2.28 0.08 0.00 2.34 0.00 0.00 41.12 41.59 1nqh n ASP 95 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nqh n LEU 96 N 0.09 2.58 0.15 -2.67 4.77 -1.26 -3.35 117.00 117.31 1nqh n LEU 96 Ca 0.01 -1.31 0.13 0.00 -0.03 0.00 0.00 56.01 54.80 1nqh n LEU 96 Cb 0.02 -0.55 0.50 0.00 -2.33 0.00 0.00 43.42 41.07 1nqh n LEU 96 CO 0.13 0.42 0.88 0.77 -1.33 0.00 0.00 177.39 178.26 1nqh h SER 97 N 0.73 0.00 0.06 -1.43 4.64 -1.86 -3.10 113.55 112.59 1nqh h SER 97 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1nqh h SER 97 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 1nqh h SER 97 CO 0.15 0.00 -1.19 0.00 -0.87 0.00 0.00 176.83 174.92 1nqh n GLN 98 N -2.37 0.16 -3.07 4.77 1.13 -1.21 -4.44 117.38 112.35 1nqh n GLN 98 Ca 0.02 -0.04 -0.42 0.00 -1.94 0.00 0.00 57.00 54.62 1nqh n GLN 98 Cb 0.27 -1.51 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 1nqh n GLN 98 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 1nqh s PHE 99 N -3.13 3.16 0.36 1.08 5.36 -1.17 -4.96 117.98 118.69 1nqh s PHE 99 Ca 0.04 0.47 -0.28 0.00 -0.96 0.00 0.00 56.93 56.20 1nqh s PHE 99 Cb 0.15 -3.16 -0.11 0.00 -0.34 0.00 0.00 43.02 39.56 1nqh s PHE 99 CO 0.86 -0.61 1.51 -2.14 -1.46 0.00 0.00 175.22 173.39 1nqh s PRO 100 N 2.78 4.10 0.36 10.12 0.02 -1.26 -4.48 135.00 146.65 1nqh s PRO 100 Ca 0.26 2.59 0.23 0.00 0.02 0.00 0.00 61.00 64.10 1nqh s PRO 100 Cb -0.14 -2.97 0.27 0.00 0.02 0.00 0.00 34.50 31.67 1nqh s PRO 100 CO 0.14 -0.56 1.46 0.97 -0.33 0.00 0.00 177.00 178.68 1nqh h ILE 101 N 3.04 0.00 0.00 2.83 6.09 -1.92 -2.69 117.51 124.86 1nqh h ILE 101 Ca -0.50 -0.97 0.00 0.00 -1.37 0.00 0.00 64.86 62.02 1nqh h ILE 101 Cb 1.24 1.83 0.00 0.00 0.47 0.00 0.00 36.82 40.36 1nqh h ILE 101 CO 0.67 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.75 1nqh n ALA 102 N -2.11 1.34 1.16 0.18 0.00 -1.26 -2.23 120.51 117.59 1nqh n ALA 102 Ca 0.03 0.15 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1nqh n ALA 102 Cb 0.53 -1.36 0.36 0.00 0.00 0.00 0.00 19.45 18.98 1nqh n ALA 102 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nqh n LEU 103 N -2.28 0.72 -4.60 0.00 4.32 -1.01 -4.84 117.00 109.30 1nqh n LEU 103 Ca 0.00 -0.10 -0.40 0.00 -0.02 0.00 0.00 56.01 55.49 1nqh n LEU 103 Cb 0.13 -0.19 -0.08 0.00 -1.62 0.00 0.00 43.42 41.66 1nqh n LEU 103 CO 0.15 0.15 0.19 -0.69 -1.22 0.00 0.00 177.39 175.96 1nqh s VAL 104 N -2.71 5.09 -0.08 4.08 1.01 -0.95 -4.13 120.40 122.72 1nqh s VAL 104 Ca 0.19 0.71 0.16 0.00 0.00 0.00 0.00 61.98 63.04 1nqh s VAL 104 Cb 0.19 -3.81 -0.24 0.00 0.00 0.00 0.00 36.38 32.52 1nqh s VAL 104 CO 0.58 0.07 0.25 0.00 0.00 0.00 0.00 175.10 176.00 1nqh n GLN 105 N 5.50 0.88 -3.64 2.72 1.13 0.49 -4.86 117.38 119.61 1nqh n GLN 105 Ca -0.06 -0.10 -0.10 0.00 -1.94 0.00 0.00 57.00 54.81 1nqh n GLN 105 Cb 0.50 -1.41 -0.07 0.00 0.11 0.00 0.00 30.24 29.37 1nqh n GLN 105 CO 0.00 0.00 0.00 0.50 -1.44 0.00 0.00 177.06 176.12 1nqh s ARG 106 N -2.87 0.59 0.07 -1.09 3.52 -0.44 -2.97 118.95 115.75 1nqh s ARG 106 Ca -0.07 0.73 0.05 0.00 -0.13 0.00 0.00 55.73 56.31 1nqh s ARG 106 Cb 0.08 0.27 -0.04 0.00 -1.56 0.00 0.00 34.95 33.71 1nqh s ARG 106 CO 0.69 -0.07 -0.06 0.08 -0.81 0.00 0.00 175.30 175.13 1nqh s VAL 107 N 0.39 3.66 -0.07 7.11 1.01 -0.07 -0.43 120.40 131.99 1nqh s VAL 107 Ca 0.01 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1nqh s VAL 107 Cb -0.05 -2.68 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1nqh s VAL 107 CO -0.05 0.21 -0.06 -1.61 0.00 0.00 0.00 175.10 173.59 1nqh s GLU 108 N -1.96 1.11 -0.06 2.72 2.02 -0.21 -0.24 118.70 122.07 1nqh s GLU 108 Ca 0.21 -0.15 -0.03 0.00 0.02 0.00 0.00 54.97 55.02 1nqh s GLU 108 Cb -0.11 -1.15 0.04 0.00 0.10 0.00 0.00 34.13 33.01 1nqh s GLU 108 CO 0.13 -0.15 0.11 -0.47 0.02 0.00 0.00 175.26 174.90 1nqh s TYR 109 N 1.27 -0.05 -0.10 1.61 5.04 -0.83 -1.02 117.35 123.27 1nqh s TYR 109 Ca -0.05 0.41 -0.00 0.00 -2.44 0.00 0.00 57.07 54.99 1nqh s TYR 109 Cb -0.14 -0.38 0.02 0.00 0.35 0.00 0.00 41.96 41.82 1nqh s TYR 109 CO -0.02 -0.24 -0.07 0.42 -1.34 0.00 0.00 175.55 174.31 1nqh s ILE 110 N 2.23 0.89 0.30 3.14 1.01 -1.08 -0.51 121.20 127.19 1nqh s ILE 110 Ca 0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 1nqh s ILE 110 Cb -0.12 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1nqh s ILE 110 CO -0.04 0.34 0.56 -0.13 0.00 0.00 0.00 174.94 175.66 1nqh s ARG 111 N 1.61 3.60 0.00 2.79 1.81 0.43 -1.39 118.95 127.80 1nqh s ARG 111 Ca 0.02 -0.06 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1nqh s ARG 111 Cb -0.13 -2.65 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 1nqh s ARG 111 CO -0.06 0.19 0.00 0.41 -0.68 0.00 0.00 175.30 175.16 1nqh n GLY 112 N -1.13 1.02 3.76 -3.53 0.00 0.59 -4.38 105.19 101.52 1nqh n GLY 112 Ca -0.02 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.55 1nqh n GLY 112 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nqh s PRO 113 N -1.50 3.26 -0.27 1.61 0.02 -1.26 -2.20 135.00 134.66 1nqh s PRO 113 Ca 0.00 1.77 0.13 0.00 0.02 0.00 0.00 61.00 62.92 1nqh s PRO 113 Cb 0.00 -2.06 0.37 0.00 0.02 0.00 0.00 34.50 32.83 1nqh s PRO 113 CO 0.00 -0.96 1.39 -2.13 -0.33 0.00 0.00 177.00 174.97 1nqh n ARG 114 N -1.26 1.20 0.25 5.54 0.63 -0.99 -4.93 116.66 117.10 1nqh n ARG 114 Ca 0.12 -1.60 0.13 0.00 -0.92 0.00 0.00 57.85 55.57 1nqh n ARG 114 Cb 0.50 0.08 0.59 0.00 0.45 0.00 0.00 32.46 34.07 1nqh n ARG 114 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1nqh h SER 115 N 1.14 0.00 0.00 6.15 0.02 -1.70 -2.72 113.55 116.44 1nqh h SER 115 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1nqh h SER 115 Cb 1.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.87 1nqh h SER 115 CO -0.13 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 1nqh n ALA 116 N -2.19 2.19 -0.03 3.77 0.00 -1.26 -1.42 120.51 121.57 1nqh n ALA 116 Ca -0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 1nqh n ALA 116 Cb 0.35 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 1nqh n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nqh n VAL 117 N -0.86 0.28 0.60 0.00 0.31 -1.05 -3.72 118.33 113.90 1nqh n VAL 117 Ca 0.10 -0.08 0.08 0.00 -0.01 0.00 0.00 64.34 64.43 1nqh n VAL 117 Cb 0.05 -1.30 -0.10 0.00 -0.91 0.00 0.00 33.84 31.57 1nqh n VAL 117 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1nqh n TYR 118 N -3.06 0.00 -1.89 3.52 0.53 -1.06 -4.94 117.16 110.27 1nqh n TYR 118 Ca -0.10 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.78 1nqh n TYR 118 Cb 0.58 -0.09 0.00 0.00 -1.03 0.00 0.00 39.34 38.80 1nqh n TYR 118 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nqh n GLY 119 N 1.42 0.40 3.77 2.72 0.00 -0.51 -4.99 105.19 108.00 1nqh n GLY 119 Ca 0.02 -0.79 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 1nqh n GLY 119 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqh s SER 120 N -4.00 7.40 0.00 1.61 0.15 -1.26 -3.84 113.70 113.75 1nqh s SER 120 Ca 0.00 1.96 0.00 0.00 0.70 0.00 0.00 55.95 58.61 1nqh s SER 120 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1nqh s SER 120 CO 0.00 -0.03 0.00 0.47 1.20 0.00 0.00 173.24 174.88 1nqh n ASP 121 N 0.94 0.00 -3.45 5.45 8.00 -0.75 -4.88 116.55 121.86 1nqh n ASP 121 Ca 0.00 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.25 1nqh n ASP 121 Cb 0.48 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.51 1nqh n ASP 121 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqh n ALA 122 N 0.00 0.70 -0.13 2.24 0.00 -1.25 -3.18 120.51 118.89 1nqh n ALA 122 Ca 0.00 -1.56 -0.24 0.00 0.00 0.00 0.00 53.44 51.64 1nqh n ALA 122 Cb 0.00 -2.67 -0.10 0.00 0.00 0.00 0.00 19.45 16.67 1nqh n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1nqh n ILE 123 N 5.73 1.45 0.10 0.00 5.41 -1.02 -2.35 119.36 128.68 1nqh n ILE 123 Ca 0.26 -0.45 -0.16 0.00 1.00 0.00 0.00 62.75 63.39 1nqh n ILE 123 Cb 0.27 -1.65 -0.14 0.00 -0.71 0.00 0.00 39.64 37.41 1nqh n ILE 123 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1nqh h GLY 124 N 0.32 0.32 0.00 7.39 0.00 -0.93 -3.36 103.07 106.81 1nqh h GLY 124 Ca -0.63 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 45.89 1nqh h GLY 124 CO -0.27 0.71 0.00 0.61 0.00 0.00 0.00 176.54 177.60 1nqh n GLY 125 N 1.57 -1.06 2.88 4.60 0.00 -0.94 0.22 105.19 112.46 1nqh n GLY 125 Ca -0.10 -1.21 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 1nqh n GLY 125 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqh s VAL 126 N -2.99 0.14 -0.24 1.61 1.01 -0.48 -3.20 120.40 116.25 1nqh s VAL 126 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1nqh s VAL 126 Cb 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 36.38 36.29 1nqh s VAL 126 CO 0.00 0.06 -0.07 -0.69 0.00 0.00 0.00 175.10 174.40 1nqh s VAL 127 N 0.19 1.70 -0.30 2.92 1.01 -0.05 -2.62 120.40 123.24 1nqh s VAL 127 Ca -0.02 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1nqh s VAL 127 Cb -0.04 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1nqh s VAL 127 CO -0.01 -0.08 0.13 0.21 0.00 0.00 0.00 175.10 175.35 1nqh s ASN 128 N 1.32 5.39 -0.16 3.32 2.47 -0.19 0.76 114.94 127.85 1nqh s ASN 128 Ca -0.07 -0.58 -0.07 0.00 0.42 0.00 0.00 52.86 52.56 1nqh s ASN 128 Cb -0.19 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.61 1nqh s ASN 128 CO -0.06 -0.19 0.09 -0.63 -3.72 0.00 0.00 177.10 172.59 1nqh s ILE 129 N 1.57 5.05 -0.11 -5.21 1.01 0.16 -1.04 121.20 122.63 1nqh s ILE 129 Ca 0.04 0.05 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1nqh s ILE 129 Cb -0.17 -3.25 -0.00 0.00 0.01 0.00 0.00 42.46 39.05 1nqh s ILE 129 CO 0.05 0.51 -0.23 -0.63 0.00 0.00 0.00 174.94 174.64 1nqh s ILE 130 N -0.12 2.16 -1.61 2.92 1.01 0.42 -1.10 121.20 124.89 1nqh s ILE 130 Ca 0.08 -0.98 0.23 0.00 0.00 0.00 0.00 60.65 59.98 1nqh s ILE 130 Cb -0.12 -1.84 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 1nqh s ILE 130 CO 0.01 0.55 1.09 0.35 0.00 0.00 0.00 174.94 176.94 1nqh n THR 131 N 3.60 0.00 -3.56 2.92 -2.24 -1.26 -0.38 114.28 113.37 1nqh n THR 131 Ca -0.19 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 1nqh n THR 131 Cb 0.53 1.04 -0.08 0.00 -2.10 0.00 0.00 70.33 69.72 1nqh n THR 131 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1nqh s THR 132 N -2.69 5.31 0.31 4.28 -1.32 -1.26 -4.57 115.64 115.70 1nqh s THR 132 Ca 0.15 0.45 0.07 0.00 -1.21 0.00 0.00 61.69 61.15 1nqh s THR 132 Cb 0.17 -3.60 -0.03 0.00 -1.51 0.00 0.00 72.50 67.53 1nqh s THR 132 CO 0.68 0.35 0.27 0.00 -2.21 0.00 0.00 174.62 173.71 1nqh s ARG 133 N 0.83 2.80 -0.10 7.08 1.70 -1.26 -4.80 118.95 125.19 1nqh s ARG 133 Ca 0.14 -1.21 -0.03 0.00 -0.47 0.00 0.00 55.73 54.15 1nqh s ARG 133 Cb -0.13 -2.52 0.05 0.00 -0.57 0.00 0.00 34.95 31.78 1nqh s ARG 133 CO 0.04 0.18 0.15 0.34 -1.08 0.00 0.00 175.30 174.93 1nqh s ASP 134 N -3.96 1.02 0.00 -2.89 -1.08 -1.26 -5.02 116.67 103.48 1nqh s ASP 134 Ca 0.39 0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.57 1nqh s ASP 134 Cb -0.07 0.19 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 1nqh s ASP 134 CO 0.26 -0.26 0.00 1.21 0.52 0.00 0.00 175.17 176.90 1nqh n GLU 135 N 5.32 0.00 -1.90 4.34 4.07 -1.26 -5.15 120.64 126.06 1nqh n GLU 135 Ca -0.05 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.75 1nqh n GLU 135 Cb 0.50 0.00 0.01 0.00 -0.06 0.00 0.00 31.44 31.89 1nqh n GLU 135 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 1nqh s PRO 136 N 0.00 3.50 0.00 5.31 0.02 -1.26 -4.71 135.00 137.86 1nqh s PRO 136 Ca 0.00 0.69 0.00 0.00 0.02 0.00 0.00 61.00 61.71 1nqh s PRO 136 Cb 0.00 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.44 1nqh s PRO 136 CO 0.00 -0.62 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1nqh n GLY 137 N -2.77 0.67 3.03 0.52 0.00 -0.75 -4.91 105.19 100.98 1nqh n GLY 137 Ca 0.06 -2.14 -0.08 0.00 0.00 0.00 0.00 46.02 43.86 1nqh n GLY 137 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nqh s THR 138 N -0.94 0.19 -0.08 2.61 -4.23 -1.26 -1.20 115.64 110.73 1nqh s THR 138 Ca 0.00 -1.30 -0.06 0.00 -1.18 0.00 0.00 61.69 59.16 1nqh s THR 138 Cb 0.00 -0.81 0.03 0.00 1.34 0.00 0.00 72.50 73.07 1nqh s THR 138 CO 0.00 -0.70 0.21 -0.70 -0.54 0.00 0.00 174.62 172.89 1nqh s GLU 139 N -2.48 0.20 0.33 3.99 2.12 0.84 -2.10 118.70 121.60 1nqh s GLU 139 Ca -0.06 0.38 0.09 0.00 0.36 0.00 0.00 54.97 55.74 1nqh s GLU 139 Cb -0.03 -0.01 -0.05 0.00 0.26 0.00 0.00 34.13 34.30 1nqh s GLU 139 CO -0.05 -0.10 -0.03 0.42 -0.54 0.00 0.00 175.26 174.97 1nqh s ILE 140 N 0.67 2.64 0.00 -3.70 1.01 -0.83 0.49 121.20 121.49 1nqh s ILE 140 Ca -0.05 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.56 1nqh s ILE 140 Cb -0.06 -2.73 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1nqh s ILE 140 CO -0.04 -0.24 0.00 -1.54 0.00 0.00 0.00 174.94 173.13 1nqh n SER 141 N -0.89 0.00 0.00 3.58 3.41 -1.05 -1.60 113.62 117.06 1nqh n SER 141 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1nqh n SER 141 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1nqh n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqh n ALA 142 N -0.25 0.00 -3.83 7.33 0.00 -0.98 -2.51 120.51 120.27 1nqh n ALA 142 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1nqh n ALA 142 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1nqh n ALA 142 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nqh s GLY 143 N 0.00 0.15 0.02 0.00 0.00 -0.50 -1.76 107.32 105.23 1nqh s GLY 143 Ca 0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 44.72 44.13 1nqh s GLY 143 CO 0.00 -0.03 0.14 0.86 0.00 0.00 0.00 173.10 174.06 1nqh s TRP 144 N -2.93 0.09 -1.78 1.90 -0.11 -0.03 -2.65 118.94 113.42 1nqh s TRP 144 Ca 0.14 -0.26 0.00 0.00 1.22 0.00 0.00 56.10 57.20 1nqh s TRP 144 Cb -0.05 -0.07 0.00 0.00 -1.50 0.00 0.00 33.47 31.85 1nqh s TRP 144 CO 0.09 -0.34 0.00 0.41 -4.62 0.00 0.00 176.95 172.49 1nqh n GLY 145 N 1.10 -0.66 0.00 5.86 0.00 -0.16 -2.15 105.19 109.18 1nqh n GLY 145 Ca -0.21 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1nqh n GLY 145 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqh n SER 146 N 0.00 0.00 -2.89 1.61 7.64 -0.74 -0.26 113.62 118.98 1nqh n SER 146 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1nqh n SER 146 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1nqh n SER 146 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1nqh n ASN 147 N -0.38 -1.35 -3.45 6.43 5.03 -1.26 -4.83 115.26 115.45 1nqh n ASN 147 Ca 0.00 -3.42 -0.23 0.00 0.87 0.00 0.00 54.58 51.81 1nqh n ASN 147 Cb 0.00 1.06 -0.02 0.00 -1.02 0.00 0.00 39.78 39.79 1nqh n ASN 147 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nqh n SER 148 N 0.52 -2.71 -4.78 6.41 7.64 -0.48 -1.99 113.62 118.22 1nqh n SER 148 Ca 0.13 -0.40 -0.36 0.00 1.01 0.00 0.00 58.87 59.25 1nqh n SER 148 Cb 0.67 -2.30 -0.01 0.00 -1.01 0.00 0.00 64.21 61.56 1nqh n SER 148 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1nqh s TYR 149 N -2.81 2.88 -0.14 1.43 5.04 0.64 -4.14 117.35 120.25 1nqh s TYR 149 Ca 0.41 1.56 -0.29 0.00 -2.44 0.00 0.00 57.07 56.31 1nqh s TYR 149 Cb -0.23 -3.27 0.10 0.00 0.35 0.00 0.00 41.96 38.91 1nqh s TYR 149 CO 0.51 -1.31 0.86 -1.14 -1.34 0.00 0.00 175.55 173.13 1nqh s GLN 150 N -2.94 0.77 -0.20 4.97 0.74 -0.30 -0.99 119.66 121.72 1nqh s GLN 150 Ca 0.66 0.30 -0.15 0.00 0.05 0.00 0.00 55.36 56.22 1nqh s GLN 150 Cb -0.24 0.37 0.06 0.00 1.10 0.00 0.00 33.01 34.29 1nqh s GLN 150 CO 0.29 -0.22 0.52 1.21 -0.55 0.00 0.00 175.29 176.54 1nqh s ASN 151 N -0.88 -0.61 0.06 6.67 3.84 -1.08 -1.87 114.94 121.08 1nqh s ASN 151 Ca -0.04 1.09 -0.04 0.00 0.21 0.00 0.00 52.86 54.08 1nqh s ASN 151 Cb -0.01 1.04 -0.02 0.00 -0.55 0.00 0.00 41.25 41.70 1nqh s ASN 151 CO 0.04 -0.20 0.05 -0.72 -2.79 0.00 0.00 177.10 173.48 1nqh s TYR 152 N 0.86 0.36 -0.29 0.43 -0.85 0.11 -1.41 117.35 116.55 1nqh s TYR 152 Ca -0.05 -0.84 -0.18 0.00 -0.52 0.00 0.00 57.07 55.48 1nqh s TYR 152 Cb -0.05 -0.25 0.17 0.00 0.38 0.00 0.00 41.96 42.20 1nqh s TYR 152 CO -0.07 -0.43 1.13 0.34 -1.52 0.00 0.00 175.55 175.00 1nqh s ASP 153 N -2.79 -0.30 -0.06 -0.18 -1.08 -1.05 -1.56 116.67 109.66 1nqh s ASP 153 Ca 0.05 0.50 0.03 0.00 -0.52 0.00 0.00 52.55 52.61 1nqh s ASP 153 Cb 0.06 1.01 0.00 0.00 -1.46 0.00 0.00 42.92 42.53 1nqh s ASP 153 CO -0.10 -0.08 -0.15 -0.69 0.52 0.00 0.00 175.17 174.67 1nqh s VAL 154 N 1.01 1.32 0.06 1.11 1.01 -0.68 -2.53 120.40 121.69 1nqh s VAL 154 Ca -0.06 -0.62 0.05 0.00 0.00 0.00 0.00 61.98 61.35 1nqh s VAL 154 Cb -0.03 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1nqh s VAL 154 CO -0.12 0.39 -0.14 -0.55 0.00 0.00 0.00 175.10 174.68 1nqh s SER 155 N 0.35 1.62 -0.09 3.32 0.15 0.18 -2.84 113.70 116.40 1nqh s SER 155 Ca -0.10 -0.55 -0.24 0.00 0.70 0.00 0.00 55.95 55.76 1nqh s SER 155 Cb -0.14 -0.07 0.06 0.00 -1.71 0.00 0.00 66.02 64.16 1nqh s SER 155 CO 0.03 -0.04 0.57 0.28 1.20 0.00 0.00 173.24 175.28 1nqh s THR 156 N -1.11 0.01 0.05 6.45 -1.32 -1.02 0.29 115.64 118.99 1nqh s THR 156 Ca -0.01 -0.12 0.03 0.00 -1.21 0.00 0.00 61.69 60.39 1nqh s THR 156 Cb -0.09 -0.86 -0.02 0.00 -1.51 0.00 0.00 72.50 70.01 1nqh s THR 156 CO 0.02 -0.06 -0.11 -1.58 -2.21 0.00 0.00 174.62 170.68 1nqh s GLN 157 N -0.83 0.67 0.22 7.08 0.74 -0.34 -1.38 119.66 125.81 1nqh s GLN 157 Ca -0.09 -0.79 -0.22 0.00 0.05 0.00 0.00 55.36 54.31 1nqh s GLN 157 Cb -0.02 -0.56 0.05 0.00 1.10 0.00 0.00 33.01 33.57 1nqh s GLN 157 CO 0.06 0.12 0.66 -0.65 -0.55 0.00 0.00 175.29 174.93 1nqh s GLN 158 N -1.49 1.52 0.14 1.67 -1.52 0.22 -1.81 119.66 118.39 1nqh s GLN 158 Ca -0.05 -0.72 -0.04 0.00 -1.95 0.00 0.00 55.36 52.60 1nqh s GLN 158 Cb -0.09 0.60 -0.05 0.00 -0.22 0.00 0.00 33.01 33.24 1nqh s GLN 158 CO 0.01 -0.68 0.36 -0.65 -0.25 0.00 0.00 175.29 174.08 1nqh s GLN 159 N -3.83 3.59 -0.65 2.91 -1.52 -1.26 0.40 119.66 119.31 1nqh s GLN 159 Ca 0.06 -0.14 0.03 0.00 -1.95 0.00 0.00 55.36 53.35 1nqh s GLN 159 Cb -0.03 -2.86 0.16 0.00 -0.22 0.00 0.00 33.01 30.05 1nqh s GLN 159 CO -0.03 0.47 0.43 -0.51 -0.25 0.00 0.00 175.29 175.40 1nqh s LEU 160 N -2.70 4.78 0.00 2.90 1.02 0.14 -4.87 118.68 119.95 1nqh s LEU 160 Ca 0.40 -3.38 0.00 0.00 0.02 0.00 0.00 54.13 51.17 1nqh s LEU 160 Cb -0.12 -1.70 0.00 0.00 0.02 0.00 0.00 46.19 44.39 1nqh s LEU 160 CO 0.25 -0.19 0.00 0.61 0.02 0.00 0.00 176.35 177.04 1nqh n GLY 161 N 2.66 -1.11 3.66 -3.19 0.00 -1.26 -4.41 105.19 101.55 1nqh n GLY 161 Ca 0.13 -0.98 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 1nqh n GLY 161 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nqh s ASP 162 N -4.72 2.89 0.00 1.61 1.01 -1.26 -3.47 116.67 112.73 1nqh s ASP 162 Ca 0.00 1.70 0.00 0.00 0.71 0.00 0.00 52.55 54.96 1nqh s ASP 162 Cb 0.00 -2.33 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1nqh s ASP 162 CO 0.00 -3.04 0.00 2.29 0.21 0.00 0.00 175.17 174.63 1nqh n LYS 163 N -4.16 -1.56 -4.03 8.23 2.85 -1.26 -4.78 118.16 113.45 1nqh n LYS 163 Ca 0.07 0.12 -0.16 0.00 -1.05 0.00 0.00 58.31 57.29 1nqh n LYS 163 Cb 0.54 -2.99 -0.15 0.00 -0.65 0.00 0.00 35.03 31.78 1nqh n LYS 163 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1nqh s THR 164 N -0.30 0.27 0.02 0.58 2.01 -1.23 -0.86 115.64 116.14 1nqh s THR 164 Ca 0.00 -0.06 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 1nqh s THR 164 Cb 0.00 -0.29 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1nqh s THR 164 CO 0.00 0.12 0.08 0.00 -0.69 0.00 0.00 174.62 174.13 1nqh s ARG 165 N 0.42 0.47 0.23 4.92 1.70 -0.09 0.25 118.95 126.85 1nqh s ARG 165 Ca -0.04 -0.56 0.06 0.00 -0.47 0.00 0.00 55.73 54.71 1nqh s ARG 165 Cb -0.07 0.19 -0.05 0.00 -0.57 0.00 0.00 34.95 34.44 1nqh s ARG 165 CO -0.01 -0.11 -0.06 0.08 -1.08 0.00 0.00 175.30 174.12 1nqh s VAL 166 N -1.78 1.40 -0.26 4.99 1.01 0.16 -2.12 120.40 123.79 1nqh s VAL 166 Ca -0.12 -2.10 -0.09 0.00 0.00 0.00 0.00 61.98 59.66 1nqh s VAL 166 Cb -0.06 -2.25 0.11 0.00 0.00 0.00 0.00 36.38 34.18 1nqh s VAL 166 CO -0.01 -0.43 0.56 -0.89 0.00 0.00 0.00 175.10 174.33 1nqh s THR 167 N -3.18 -0.74 0.05 3.92 2.01 -1.03 -0.61 115.64 116.06 1nqh s THR 167 Ca 0.26 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.38 1nqh s THR 167 Cb 0.03 -0.87 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1nqh s THR 167 CO 0.08 0.03 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.10 1nqh s LEU 168 N 2.62 2.20 -0.12 4.42 1.43 -0.48 0.40 118.68 129.15 1nqh s LEU 168 Ca -0.05 -0.53 -0.07 0.00 -1.03 0.00 0.00 54.13 52.45 1nqh s LEU 168 Cb -0.11 -0.80 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1nqh s LEU 168 CO -0.17 0.08 0.29 -0.22 0.23 0.00 0.00 176.35 176.57 1nqh s LEU 169 N -1.31 0.46 0.10 1.79 2.96 -0.25 -2.45 118.68 119.99 1nqh s LEU 169 Ca 0.05 0.61 0.10 0.00 -0.22 0.00 0.00 54.13 54.66 1nqh s LEU 169 Cb -0.09 0.92 -0.04 0.00 0.50 0.00 0.00 46.19 47.49 1nqh s LEU 169 CO 0.02 -0.15 -0.25 -0.83 -1.32 0.00 0.00 176.35 173.82 1nqh s GLY 170 N 0.96 1.44 -0.28 7.98 0.00 -1.13 0.66 107.32 116.95 1nqh s GLY 170 Ca -0.07 -1.35 -0.20 0.00 0.00 0.00 0.00 44.72 43.10 1nqh s GLY 170 CO -0.07 -1.31 0.84 -0.35 0.00 0.00 0.00 173.10 172.22 1nqh s ASP 171 N -1.78 -0.68 -0.07 1.64 2.15 -0.78 -1.68 116.67 115.47 1nqh s ASP 171 Ca 0.12 1.19 0.01 0.00 0.43 0.00 0.00 52.55 54.29 1nqh s ASP 171 Cb -0.10 1.24 0.02 0.00 -0.30 0.00 0.00 42.92 43.79 1nqh s ASP 171 CO 0.04 -0.20 -0.07 -0.47 -0.17 0.00 0.00 175.17 174.30 1nqh s TYR 172 N 0.92 1.14 0.11 -5.34 5.04 -0.60 -1.32 117.35 117.30 1nqh s TYR 172 Ca -0.04 -0.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.17 1nqh s TYR 172 Cb -0.05 -0.93 -0.04 0.00 0.35 0.00 0.00 41.96 41.29 1nqh s TYR 172 CO -0.10 -0.30 -0.02 0.00 -1.34 0.00 0.00 175.55 173.79 1nqh s ALA 173 N 1.07 0.91 -0.18 3.97 0.00 -0.74 0.04 121.76 126.83 1nqh s ALA 173 Ca -0.08 -1.38 -0.28 0.00 0.00 0.00 0.00 51.96 50.21 1nqh s ALA 173 Cb -0.14 0.39 0.10 0.00 0.00 0.00 0.00 23.12 23.47 1nqh s ALA 173 CO -0.01 -0.33 0.88 -1.58 0.00 0.00 0.00 175.76 174.72 1nqh s HIS 174 N -3.78 -0.54 0.13 0.00 5.04 -0.78 -1.65 115.29 113.71 1nqh s HIS 174 Ca 0.15 1.09 -0.18 0.00 -1.54 0.00 0.00 55.06 54.59 1nqh s HIS 174 Cb 0.07 0.39 0.04 0.00 0.04 0.00 0.00 32.58 33.12 1nqh s HIS 174 CO -0.03 -0.39 0.45 -0.08 -2.34 0.00 0.00 174.74 172.34 1nqh s THR 175 N -0.57 0.05 -0.10 0.89 -1.32 -0.83 -1.14 115.64 112.61 1nqh s THR 175 Ca -0.03 -0.46 0.16 0.00 -1.21 0.00 0.00 61.69 60.15 1nqh s THR 175 Cb -0.02 -1.15 -0.19 0.00 -1.51 0.00 0.00 72.50 69.64 1nqh s THR 175 CO 0.02 -0.24 0.67 1.41 -2.21 0.00 0.00 174.62 174.27 1nqh n HIS 176 N -0.26 0.84 -4.09 9.09 8.25 -0.84 -2.40 115.22 125.81 1nqh n HIS 176 Ca -0.16 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 1nqh n HIS 176 Cb 0.64 -1.09 0.00 0.00 1.12 0.00 0.00 29.99 30.66 1nqh n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqh n GLY 177 N 1.48 -1.15 3.20 -1.41 0.00 -1.26 -2.45 105.19 103.61 1nqh n GLY 177 Ca -0.14 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.52 1nqh n GLY 177 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nqh s TYR 178 N 0.00 1.13 0.33 1.61 -0.85 -1.26 -4.73 117.35 113.58 1nqh s TYR 178 Ca 0.00 -1.33 -0.27 0.00 -0.52 0.00 0.00 57.07 54.95 1nqh s TYR 178 Cb 0.00 -0.57 -0.09 0.00 0.38 0.00 0.00 41.96 41.67 1nqh s TYR 178 CO 0.00 -0.58 1.06 0.34 -1.52 0.00 0.00 175.55 174.85 1nqh s ASP 179 N -3.15 7.08 -0.23 -0.18 -1.08 -1.19 -1.20 116.67 116.72 1nqh s ASP 179 Ca 0.36 2.14 0.14 0.00 -0.52 0.00 0.00 52.55 54.66 1nqh s ASP 179 Cb 0.07 -2.61 0.54 0.00 -1.46 0.00 0.00 42.92 39.47 1nqh s ASP 179 CO 0.10 -0.27 1.48 0.55 0.52 0.00 0.00 175.17 177.55 1nqh n VAL 180 N 0.67 2.44 0.00 1.11 3.14 -1.26 -4.77 118.33 119.66 1nqh n VAL 180 Ca 0.01 -2.12 0.00 0.00 -2.96 0.00 0.00 64.34 59.27 1nqh n VAL 180 Cb 0.47 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 1nqh n VAL 180 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 1nqh n VAL 181 N -0.69 0.00 0.00 1.55 0.24 -1.26 -1.88 118.33 116.29 1nqh n VAL 181 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1nqh n VAL 181 Cb 0.99 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.36 1nqh n VAL 181 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqh n ALA 182 N 0.00 0.00 -1.70 2.33 0.00 -0.32 -4.86 120.51 115.95 1nqh n ALA 182 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1nqh n ALA 182 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nqh n ALA 182 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nqh n TYR 183 N 0.00 -0.49 -0.98 0.00 9.36 -1.26 -4.29 117.16 119.51 1nqh n TYR 183 Ca 0.00 0.19 0.00 0.00 3.32 0.00 0.00 57.90 61.41 1nqh n TYR 183 Cb 0.00 -1.88 0.00 0.00 -0.63 0.00 0.00 39.34 36.83 1nqh n TYR 183 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqh n GLY 184 N -0.65 0.60 0.82 2.98 0.00 -1.26 -4.36 105.19 103.33 1nqh n GLY 184 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 1nqh n GLY 184 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqh n ASN 185 N -0.17 -0.58 0.00 1.61 4.13 -1.26 -4.81 115.26 114.18 1nqh n ASN 185 Ca 0.00 -1.16 0.00 0.00 1.68 0.00 0.00 54.58 55.10 1nqh n ASN 185 Cb 0.23 0.18 0.00 0.00 -1.54 0.00 0.00 39.78 38.65 1nqh n ASN 185 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 1nqh n THR 186 N -0.02 0.00 0.00 3.41 5.66 -1.26 0.20 114.28 122.26 1nqh n THR 186 Ca -0.16 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.84 1nqh n THR 186 Cb 0.51 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1nqh n THR 186 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nqh n GLY 187 N 0.13 1.26 3.36 1.09 0.00 -1.26 -0.61 105.19 109.16 1nqh n GLY 187 Ca 0.00 0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1nqh n GLY 187 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nqh n THR 188 N 0.00 4.15 0.00 2.61 -2.24 -1.21 -4.71 114.28 112.88 1nqh n THR 188 Ca 0.00 -4.44 0.00 0.00 -2.27 0.00 0.00 64.05 57.34 1nqh n THR 188 Cb 0.00 -2.43 0.00 0.00 -2.10 0.00 0.00 70.33 65.80 1nqh n THR 188 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqh n GLN 189 N 6.05 0.00 0.00 -0.78 1.13 -1.26 -4.81 117.38 117.71 1nqh n GLN 189 Ca 0.41 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1nqh n GLN 189 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.77 1nqh n GLN 189 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1nqh n ALA 190 N -0.76 0.00 0.00 -1.58 0.00 -1.26 -4.97 120.51 111.94 1nqh n ALA 190 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqh n ALA 190 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nqh n ALA 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqh n GLN 191 N 0.00 0.00 -3.01 0.00 10.64 -1.26 -4.99 117.38 118.75 1nqh n GLN 191 Ca 0.00 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.11 1nqh n GLN 191 Cb 0.00 -0.03 -0.01 0.00 -0.86 0.00 0.00 30.24 29.34 1nqh n GLN 191 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1nqh n THR 192 N -1.54 -0.22 -3.69 -0.39 -1.04 -1.26 -4.55 114.28 101.59 1nqh n THR 192 Ca 0.00 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.05 61.82 1nqh n THR 192 Cb 0.00 -0.21 -0.11 0.00 -1.82 0.00 0.00 70.33 68.20 1nqh n THR 192 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 1nqh s ASP 193 N -3.56 -0.47 0.31 8.00 3.84 -1.26 -5.06 116.67 118.47 1nqh s ASP 193 Ca 0.02 0.89 -0.28 0.00 -0.00 0.00 0.00 52.55 53.17 1nqh s ASP 193 Cb -0.01 0.82 -0.09 0.00 -1.38 0.00 0.00 42.92 42.25 1nqh s ASP 193 CO 0.16 -0.20 1.12 0.20 -0.00 0.00 0.00 175.17 176.45 1nqh s ASN 194 N 1.54 7.07 -0.44 2.11 0.01 -1.26 -3.20 114.94 120.77 1nqh s ASN 194 Ca -0.09 2.28 0.03 0.00 -0.71 0.00 0.00 52.86 54.38 1nqh s ASN 194 Cb -0.09 -2.62 0.12 0.00 0.41 0.00 0.00 41.25 39.07 1nqh s ASN 194 CO -0.13 -0.28 0.17 -1.81 -1.51 0.00 0.00 177.10 173.54 1nqh s ASP 195 N -0.97 4.62 0.22 -1.22 1.01 -0.34 -4.77 116.67 115.22 1nqh s ASP 195 Ca 0.48 -2.56 0.00 0.00 0.71 0.00 0.00 52.55 51.18 1nqh s ASP 195 Cb -0.31 -1.66 0.00 0.00 1.01 0.00 0.00 42.92 41.96 1nqh s ASP 195 CO 0.40 -0.32 0.00 0.61 0.21 0.00 0.00 175.17 176.07 1nqh n GLY 196 N 3.73 -0.30 3.55 0.21 0.00 -1.03 -4.34 105.19 107.01 1nqh n GLY 196 Ca 0.04 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 1nqh n GLY 196 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqh s PHE 197 N 0.12 -0.82 -0.06 1.61 5.99 -1.01 -2.55 117.98 121.27 1nqh s PHE 197 Ca 0.00 1.82 0.01 0.00 0.00 0.00 0.00 56.93 58.76 1nqh s PHE 197 Cb 0.00 0.38 0.02 0.00 0.00 0.00 0.00 43.02 43.42 1nqh s PHE 197 CO 0.00 -0.40 -0.06 -1.17 -0.00 0.00 0.00 175.22 173.58 1nqh s LEU 198 N 0.89 1.37 0.03 6.12 1.98 0.48 -1.97 118.68 127.58 1nqh s LEU 198 Ca -0.04 -0.18 0.03 0.00 -2.89 0.00 0.00 54.13 51.04 1nqh s LEU 198 Cb -0.05 -0.57 -0.02 0.00 0.66 0.00 0.00 46.19 46.21 1nqh s LEU 198 CO -0.08 -0.04 -0.09 -0.55 -1.89 0.00 0.00 176.35 173.70 1nqh s SER 199 N 0.95 1.06 0.01 3.68 0.15 -0.66 0.21 113.70 119.09 1nqh s SER 199 Ca -0.10 -0.40 0.03 0.00 0.70 0.00 0.00 55.95 56.18 1nqh s SER 199 Cb -0.14 -0.04 -0.01 0.00 -1.71 0.00 0.00 66.02 64.12 1nqh s SER 199 CO 0.00 -0.05 -0.08 -0.54 1.20 0.00 0.00 173.24 173.77 1nqh s LYS 200 N -1.04 0.62 0.04 5.44 1.02 -1.06 -1.79 119.74 122.98 1nqh s LYS 200 Ca -0.03 -0.40 -0.12 0.00 0.02 0.00 0.00 55.97 55.44 1nqh s LYS 200 Cb -0.07 -0.57 0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1nqh s LYS 200 CO 0.01 0.15 0.25 0.99 -0.92 0.00 0.00 175.35 175.83 1nqh s THR 201 N -0.44 0.10 -0.08 2.17 2.01 -0.43 -2.84 115.64 116.12 1nqh s THR 201 Ca 0.01 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.18 1nqh s THR 201 Cb -0.05 -0.95 0.04 0.00 0.01 0.00 0.00 72.50 71.56 1nqh s THR 201 CO 0.00 -0.43 0.19 -0.22 -0.69 0.00 0.00 174.62 173.46 1nqh s LEU 202 N -2.12 0.50 -0.00 4.42 2.96 0.11 -1.86 118.68 122.70 1nqh s LEU 202 Ca -0.04 0.39 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 1nqh s LEU 202 Cb -0.01 0.49 -0.00 0.00 0.50 0.00 0.00 46.19 47.18 1nqh s LEU 202 CO -0.04 -0.17 -0.03 -0.47 -1.32 0.00 0.00 176.35 174.33 1nqh s TYR 203 N 1.35 0.24 0.04 5.38 5.04 0.21 -1.72 117.35 127.89 1nqh s TYR 203 Ca -0.08 -0.04 0.03 0.00 -2.44 0.00 0.00 57.07 54.54 1nqh s TYR 203 Cb -0.11 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.01 1nqh s TYR 203 CO -0.07 -0.01 -0.09 0.20 -1.34 0.00 0.00 175.55 174.25 1nqh s GLY 204 N -0.03 0.55 0.06 8.97 0.00 0.47 -1.09 107.32 116.24 1nqh s GLY 204 Ca 0.01 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.00 1nqh s GLY 204 CO -0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 173.10 172.22 1nqh s ALA 205 N -1.22 0.74 0.04 3.20 0.00 0.16 -1.39 121.76 123.30 1nqh s ALA 205 Ca -0.07 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.05 1nqh s ALA 205 Cb -0.09 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 1nqh s ALA 205 CO 0.01 -0.04 -0.22 -0.51 0.00 0.00 0.00 175.76 174.99 1nqh s LEU 206 N -1.90 2.16 -0.16 0.00 1.02 0.43 -2.46 118.68 117.78 1nqh s LEU 206 Ca -0.04 -0.54 -0.07 0.00 0.02 0.00 0.00 54.13 53.50 1nqh s LEU 206 Cb -0.07 -1.07 0.07 0.00 0.02 0.00 0.00 46.19 45.13 1nqh s LEU 206 CO -0.00 0.19 0.36 -1.61 0.02 0.00 0.00 176.35 175.31 1nqh s GLU 207 N -1.17 0.31 -0.24 1.70 2.02 -0.90 -1.62 118.70 118.80 1nqh s GLU 207 Ca 0.09 0.80 -0.11 0.00 0.02 0.00 0.00 54.97 55.76 1nqh s GLU 207 Cb -0.09 0.04 0.09 0.00 0.10 0.00 0.00 34.13 34.27 1nqh s GLU 207 CO 0.02 -0.20 0.56 -1.58 0.02 0.00 0.00 175.26 174.08 1nqh s HIS 208 N 1.82 -0.95 -0.16 1.61 2.46 -0.29 -0.91 115.29 118.87 1nqh s HIS 208 Ca -0.06 1.84 -0.13 0.00 0.47 0.00 0.00 55.06 57.18 1nqh s HIS 208 Cb -0.10 0.51 -0.05 0.00 -0.13 0.00 0.00 32.58 32.81 1nqh s HIS 208 CO -0.11 -0.50 0.26 -0.80 -2.47 0.00 0.00 174.74 171.12 1nqh s ASN 209 N 1.99 6.40 0.04 9.88 0.01 -0.04 0.81 114.94 134.03 1nqh s ASN 209 Ca -0.08 0.46 0.26 0.00 -0.71 0.00 0.00 52.86 52.80 1nqh s ASN 209 Cb -0.08 -2.16 0.79 0.00 0.41 0.00 0.00 41.25 40.20 1nqh s ASN 209 CO -0.17 0.13 1.63 0.49 -1.51 0.00 0.00 177.10 177.68 1nqh n PHE 210 N 3.45 0.20 -3.59 2.20 3.01 -0.56 -4.74 117.46 117.43 1nqh n PHE 210 Ca -0.13 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1nqh n PHE 210 Cb 0.52 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 39.50 1nqh n PHE 210 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nqh n THR 211 N -1.68 0.00 -1.06 4.37 -2.24 -1.08 -4.96 114.28 107.63 1nqh n THR 211 Ca 0.06 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.58 1nqh n THR 211 Cb 0.36 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.70 1nqh n THR 211 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nqh n ASP 212 N -0.32 5.80 0.00 3.42 3.85 -1.26 -3.54 116.55 124.51 1nqh n ASP 212 Ca 0.00 -3.47 0.00 0.00 -0.71 0.00 0.00 54.79 50.61 1nqh n ASP 212 Cb 0.00 -0.91 0.00 0.00 -1.35 0.00 0.00 41.12 38.86 1nqh n ASP 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1nqh n ALA 213 N -0.66 1.23 -2.73 2.12 0.00 -1.26 -4.93 120.51 114.27 1nqh n ALA 213 Ca 0.51 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.59 1nqh n ALA 213 Cb 0.98 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.36 1nqh n ALA 213 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1nqh s TRP 214 N -1.60 3.48 0.15 0.00 0.52 -1.23 -0.92 118.94 119.33 1nqh s TRP 214 Ca 0.00 0.53 -0.07 0.00 0.02 0.00 0.00 56.10 56.59 1nqh s TRP 214 Cb 0.00 -2.24 -0.02 0.00 -1.15 0.00 0.00 33.47 30.07 1nqh s TRP 214 CO 0.00 0.34 0.21 -1.12 0.02 0.00 0.00 176.95 176.40 1nqh s SER 215 N 0.16 0.13 0.11 2.95 0.01 0.31 -1.50 113.70 115.87 1nqh s SER 215 Ca 0.14 -0.96 -0.02 0.00 1.31 0.00 0.00 55.95 56.42 1nqh s SER 215 Cb -0.12 0.39 -0.04 0.00 0.21 0.00 0.00 66.02 66.46 1nqh s SER 215 CO 0.03 -0.84 0.05 -0.83 0.41 0.00 0.00 173.24 172.06 1nqh s GLY 216 N -2.99 0.76 0.07 3.44 0.00 0.24 0.31 107.32 109.16 1nqh s GLY 216 Ca 0.18 -1.32 -0.03 0.00 0.00 0.00 0.00 44.72 43.55 1nqh s GLY 216 CO -0.00 -1.30 0.04 -0.11 0.00 0.00 0.00 173.10 171.74 1nqh s PHE 217 N -4.00 0.44 -0.01 1.90 -0.00 -0.43 -1.13 117.98 114.76 1nqh s PHE 217 Ca 0.18 -0.94 0.03 0.00 -0.00 0.00 0.00 56.93 56.20 1nqh s PHE 217 Cb 0.07 -0.30 -0.01 0.00 -0.00 0.00 0.00 43.02 42.79 1nqh s PHE 217 CO -0.02 -0.44 -0.11 0.08 -0.00 0.00 0.00 175.22 174.72 1nqh s VAL 218 N -3.91 0.85 0.14 -2.49 1.01 -0.64 -1.84 120.40 113.52 1nqh s VAL 218 Ca 0.08 -0.48 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1nqh s VAL 218 Cb 0.07 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 1nqh s VAL 218 CO -0.09 0.22 -0.17 -0.13 0.00 0.00 0.00 175.10 174.93 1nqh s ARG 219 N -0.30 1.14 -0.18 2.72 0.52 -0.40 -0.43 118.95 122.03 1nqh s ARG 219 Ca 0.04 -1.29 -0.11 0.00 -0.52 0.00 0.00 55.73 53.85 1nqh s ARG 219 Cb -0.04 -1.15 0.06 0.00 0.52 0.00 0.00 34.95 34.34 1nqh s ARG 219 CO -0.00 0.23 0.43 0.20 0.02 0.00 0.00 175.30 176.18 1nqh s GLY 220 N -2.46 -0.35 0.22 -3.53 0.00 -0.48 -1.59 107.32 99.13 1nqh s GLY 220 Ca 0.11 1.53 -0.13 0.00 0.00 0.00 0.00 44.72 46.24 1nqh s GLY 220 CO 0.05 1.62 0.45 -2.52 0.00 0.00 0.00 173.10 172.69 1nqh s TYR 221 N 1.21 0.28 0.00 1.90 -0.85 -0.88 -0.40 117.35 118.61 1nqh s TYR 221 Ca -0.08 -0.64 0.00 0.00 -0.52 0.00 0.00 57.07 55.83 1nqh s TYR 221 Cb -0.07 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.44 1nqh s TYR 221 CO -0.11 -0.92 0.00 0.41 -1.52 0.00 0.00 175.55 173.41 1nqh n GLY 222 N -0.34 0.94 3.34 5.49 0.00 -0.70 -1.78 105.19 112.14 1nqh n GLY 222 Ca -0.04 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.44 1nqh n GLY 222 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1nqh s TYR 223 N -2.00 0.85 -0.39 1.61 -0.85 -0.81 0.06 117.35 115.82 1nqh s TYR 223 Ca 0.00 -1.13 0.06 0.00 -0.52 0.00 0.00 57.07 55.48 1nqh s TYR 223 Cb 0.00 -0.28 0.17 0.00 0.38 0.00 0.00 41.96 42.23 1nqh s TYR 223 CO 0.00 -0.76 0.54 0.34 -1.52 0.00 0.00 175.55 174.15 1nqh s ASP 224 N -3.10 -0.59 -0.09 -0.18 -1.08 -1.13 -2.51 116.67 107.99 1nqh s ASP 224 Ca 0.32 -1.01 -0.05 0.00 -0.52 0.00 0.00 52.55 51.29 1nqh s ASP 224 Cb 0.04 1.48 -0.04 0.00 -1.46 0.00 0.00 42.92 42.94 1nqh s ASP 224 CO 0.10 -0.21 0.10 0.20 0.52 0.00 0.00 175.17 175.89 1nqh s ASN 225 N 1.75 6.01 -0.08 -0.34 0.02 -0.80 -2.55 114.94 118.94 1nqh s ASN 225 Ca 0.16 0.34 0.03 0.00 -1.02 0.00 0.00 52.86 52.37 1nqh s ASN 225 Cb -0.08 -1.86 0.01 0.00 0.02 0.00 0.00 41.25 39.34 1nqh s ASN 225 CO -0.07 0.37 -0.17 -0.13 0.02 0.00 0.00 177.10 177.13 1nqh s ARG 226 N -1.15 2.22 0.11 -0.60 0.52 0.13 -2.13 118.95 118.05 1nqh s ARG 226 Ca 0.16 -0.59 0.05 0.00 -0.52 0.00 0.00 55.73 54.84 1nqh s ARG 226 Cb -0.12 -1.77 -0.04 0.00 0.52 0.00 0.00 34.95 33.54 1nqh s ARG 226 CO 0.06 0.07 -0.13 -0.08 0.02 0.00 0.00 175.30 175.24 1nqh s THR 227 N 0.60 1.19 0.05 0.02 -1.32 -0.53 0.18 115.64 115.83 1nqh s THR 227 Ca -0.15 -1.69 0.08 0.00 -1.21 0.00 0.00 61.69 58.72 1nqh s THR 227 Cb -0.16 -1.47 -0.03 0.00 -1.51 0.00 0.00 72.50 69.32 1nqh s THR 227 CO 0.05 -0.47 -0.22 0.20 -2.21 0.00 0.00 174.62 171.97 1nqh s ASN 228 N -2.46 3.54 0.00 8.08 0.01 -1.06 -0.86 114.94 122.20 1nqh s ASN 228 Ca 0.08 -0.51 0.00 0.00 -0.71 0.00 0.00 52.86 51.72 1nqh s ASN 228 Cb -0.04 -0.47 0.00 0.00 0.41 0.00 0.00 41.25 41.15 1nqh s ASN 228 CO 0.02 0.25 0.00 0.00 -1.51 0.00 0.00 177.10 175.86 1nqh n TYR 229 N 1.58 0.00 0.00 2.20 0.18 0.46 -4.35 117.16 117.23 1nqh n TYR 229 Ca -0.17 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.61 1nqh n TYR 229 Cb 0.52 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.48 1nqh n TYR 229 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1nqh n ASP 230 N 0.00 0.51 0.00 9.48 8.00 -1.26 -4.71 116.55 128.57 1nqh n ASP 230 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nqh n ASP 230 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1nqh n ASP 230 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqh n ALA 231 N -2.58 0.00 0.00 2.24 0.00 0.98 -4.53 120.51 116.62 1nqh n ALA 231 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nqh n ALA 231 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 1nqh n ALA 231 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1nqh n TYR 232 N 0.00 0.00 -3.42 0.00 9.36 0.52 -4.40 117.16 119.22 1nqh n TYR 232 Ca 0.00 0.00 0.01 0.00 3.32 0.00 0.00 57.90 61.23 1nqh n TYR 232 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 1nqh n TYR 232 CO 0.00 0.00 0.00 -0.47 0.22 0.00 0.00 176.86 176.61 1nqh s TYR 233 N -1.63 -0.56 0.18 2.98 6.14 0.22 -4.70 117.35 119.97 1nqh s TYR 233 Ca 0.00 1.00 -0.02 0.00 0.64 0.00 0.00 57.07 58.69 1nqh s TYR 233 Cb 0.00 0.34 -0.05 0.00 0.42 0.00 0.00 41.96 42.67 1nqh s TYR 233 CO 0.00 -0.28 0.38 -1.12 0.64 0.00 0.00 175.55 175.18 1nqh s SER 234 N 2.17 6.41 -0.18 4.32 0.01 -1.26 -3.32 113.70 121.85 1nqh s SER 234 Ca -0.03 0.46 -0.29 0.00 1.31 0.00 0.00 55.95 57.39 1nqh s SER 234 Cb -0.05 -2.03 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1nqh s SER 234 CO -0.17 -0.01 1.67 -2.16 0.41 0.00 0.00 173.24 172.98 1nqh s PRO 235 N -3.12 3.85 0.00 12.44 0.05 -1.26 -4.70 135.00 142.25 1nqh s PRO 235 Ca 0.39 1.81 0.00 0.00 0.05 0.00 0.00 61.00 63.26 1nqh s PRO 235 Cb -0.11 -4.05 0.00 0.00 0.05 0.00 0.00 34.50 30.39 1nqh s PRO 235 CO 0.28 -1.24 0.00 0.41 0.05 0.00 0.00 177.00 176.50 1nqh n GLY 236 N 4.61 0.94 1.08 0.56 0.00 -1.26 -4.97 105.19 106.15 1nqh n GLY 236 Ca 0.19 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.63 1nqh n GLY 236 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqh n SER 237 N 0.00 -1.44 -4.43 1.61 7.64 -1.26 -5.15 113.62 110.59 1nqh n SER 237 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1nqh n SER 237 Cb 0.00 -0.72 0.24 0.00 -1.01 0.00 0.00 64.21 62.72 1nqh n SER 237 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 1nqh n PRO 238 N 0.06 -2.26 0.00 1.43 -0.02 -1.26 -4.51 135.00 128.44 1nqh n PRO 238 Ca 0.00 -0.63 0.00 0.00 -2.02 0.00 0.00 63.50 60.85 1nqh n PRO 238 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1nqh n PRO 238 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1nqh n LEU 239 N -4.21 0.00 0.00 2.45 -0.00 -1.26 -4.66 117.00 109.32 1nqh n LEU 239 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 1nqh n LEU 239 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1nqh n LEU 239 CO 0.56 0.00 0.00 0.18 -0.00 0.00 0.00 177.39 178.13 1nqh n LEU 240 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -4.67 117.00 113.88 1nqh n LEU 240 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nqh n LEU 240 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nqh n LEU 240 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.39 176.53 1nqh n ASP 241 N 0.00 0.00 -4.32 -1.43 8.00 -1.25 -4.60 116.55 112.96 1nqh n ASP 241 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1nqh n ASP 241 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 41.12 40.94 1nqh n ASP 241 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1nqh s THR 242 N -1.82 2.06 0.08 -3.53 2.01 0.08 -0.40 115.64 114.10 1nqh s THR 242 Ca 0.00 -1.17 0.06 0.00 0.31 0.00 0.00 61.69 60.89 1nqh s THR 242 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1nqh s THR 242 CO 0.00 0.52 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.74 1nqh s ARG 243 N -0.77 2.18 -0.13 4.92 3.52 -0.04 -1.39 118.95 127.25 1nqh s ARG 243 Ca 0.10 -0.97 -0.04 0.00 -0.13 0.00 0.00 55.73 54.69 1nqh s ARG 243 Cb -0.10 -2.31 0.05 0.00 -1.56 0.00 0.00 34.95 31.03 1nqh s ARG 243 CO -0.00 0.53 0.09 0.21 -0.81 0.00 0.00 175.30 175.32 1nqh s LYS 244 N -1.94 0.03 -0.04 5.12 2.20 0.18 -1.46 119.74 123.83 1nqh s LYS 244 Ca 0.19 0.09 0.04 0.00 -0.36 0.00 0.00 55.97 55.93 1nqh s LYS 244 Cb -0.11 -1.36 -0.03 0.00 -1.51 0.00 0.00 37.83 34.83 1nqh s LYS 244 CO 0.11 -0.56 -0.13 -1.17 -0.36 0.00 0.00 175.35 173.25 1nqh s LEU 245 N 2.16 2.84 0.09 5.43 0.20 -0.91 -1.54 118.68 126.95 1nqh s LEU 245 Ca 0.03 -0.19 0.04 0.00 0.69 0.00 0.00 54.13 54.71 1nqh s LEU 245 Cb -0.15 -1.60 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1nqh s LEU 245 CO -0.07 0.33 -0.11 -0.31 -0.29 0.00 0.00 176.35 175.89 1nqh s TYR 246 N -0.80 1.10 -0.30 5.38 1.51 -0.46 -1.91 117.35 121.87 1nqh s TYR 246 Ca 0.13 -0.58 -0.13 0.00 -1.01 0.00 0.00 57.07 55.48 1nqh s TYR 246 Cb -0.11 -0.61 0.16 0.00 -0.11 0.00 0.00 41.96 41.30 1nqh s TYR 246 CO 0.02 0.02 0.92 -1.54 -1.11 0.00 0.00 175.55 173.87 1nqh s SER 247 N -2.18 -0.70 0.12 2.29 1.04 -1.04 -2.30 113.70 110.93 1nqh s SER 247 Ca 0.02 0.83 0.04 0.00 0.48 0.00 0.00 55.95 57.32 1nqh s SER 247 Cb -0.06 1.74 -0.04 0.00 0.10 0.00 0.00 66.02 67.77 1nqh s SER 247 CO 0.01 -0.13 -0.11 0.00 0.98 0.00 0.00 173.24 173.99 1nqh s GLN 248 N 2.61 0.95 0.01 4.02 -2.07 -0.98 -1.92 119.66 122.27 1nqh s GLN 248 Ca -0.01 -1.28 -0.03 0.00 -1.82 0.00 0.00 55.36 52.22 1nqh s GLN 248 Cb -0.08 -0.60 -0.01 0.00 -1.09 0.00 0.00 33.01 31.23 1nqh s GLN 248 CO -0.17 0.09 0.06 -1.12 -1.32 0.00 0.00 175.29 172.82 1nqh s SER 249 N -2.72 0.11 -0.02 12.60 0.01 -0.73 -1.74 113.70 121.21 1nqh s SER 249 Ca 0.10 -0.29 -0.05 0.00 1.31 0.00 0.00 55.95 57.03 1nqh s SER 249 Cb -0.01 0.15 0.00 0.00 0.21 0.00 0.00 66.02 66.38 1nqh s SER 249 CO 0.00 -0.29 0.10 0.26 0.41 0.00 0.00 173.24 173.72 1nqh s TRP 250 N -1.22 0.00 0.31 2.43 0.52 0.09 -2.06 118.94 119.01 1nqh s TRP 250 Ca -0.13 0.00 0.04 0.00 0.02 0.00 0.00 56.10 56.04 1nqh s TRP 250 Cb -0.08 -0.03 -0.06 0.00 -1.15 0.00 0.00 33.47 32.15 1nqh s TRP 250 CO 0.00 -0.17 0.03 -0.51 0.02 0.00 0.00 176.95 176.32 1nqh s ASP 251 N -0.75 2.47 -0.19 2.95 -0.00 -0.62 -2.52 116.67 118.01 1nqh s ASP 251 Ca -0.08 -1.32 -0.21 0.00 -0.00 0.00 0.00 52.55 50.93 1nqh s ASP 251 Cb -0.05 -0.11 0.06 0.00 -0.00 0.00 0.00 42.92 42.82 1nqh s ASP 251 CO 0.01 -0.54 0.58 0.00 -0.00 0.00 0.00 175.17 175.22 1nqh s ALA 252 N -3.22 -1.45 0.16 5.23 0.00 -0.20 -1.27 121.76 121.00 1nqh s ALA 252 Ca 0.34 1.55 -0.13 0.00 0.00 0.00 0.00 51.96 53.73 1nqh s ALA 252 Cb 0.08 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.40 1nqh s ALA 252 CO 0.14 -0.29 0.38 0.20 0.00 0.00 0.00 175.76 176.19 1nqh s GLY 253 N 0.06 0.13 0.12 0.00 0.00 -0.76 0.10 107.32 106.97 1nqh s GLY 253 Ca -0.02 -0.50 0.07 0.00 0.00 0.00 0.00 44.72 44.27 1nqh s GLY 253 CO 0.02 -0.55 -0.10 1.08 0.00 0.00 0.00 173.10 173.55 1nqh s LEU 254 N -2.90 3.04 0.14 0.66 1.43 -0.64 -1.31 118.68 119.10 1nqh s LEU 254 Ca 0.11 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 1nqh s LEU 254 Cb 0.02 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1nqh s LEU 254 CO -0.04 0.16 -0.19 -0.13 0.23 0.00 0.00 176.35 176.39 1nqh s ARG 255 N -2.31 1.23 -0.09 1.70 0.52 0.15 -1.56 118.95 118.58 1nqh s ARG 255 Ca 0.22 -1.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.11 1nqh s ARG 255 Cb -0.11 -1.35 0.02 0.00 0.52 0.00 0.00 34.95 34.03 1nqh s ARG 255 CO 0.14 0.29 -0.09 -0.47 0.02 0.00 0.00 175.30 175.18 1nqh s TYR 256 N -1.77 1.46 -0.51 -0.53 5.04 -0.43 0.12 117.35 120.73 1nqh s TYR 256 Ca 0.13 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.11 1nqh s TYR 256 Cb -0.07 -1.15 0.13 0.00 0.35 0.00 0.00 41.96 41.22 1nqh s TYR 256 CO 0.06 -0.41 0.28 1.21 -1.34 0.00 0.00 175.55 175.35 1nqh s ASN 257 N 1.26 4.84 0.22 4.32 2.47 -0.10 -1.77 114.94 126.19 1nqh s ASN 257 Ca -0.03 -2.69 0.01 0.00 0.42 0.00 0.00 52.86 50.57 1nqh s ASN 257 Cb -0.14 -1.74 0.02 0.00 -1.45 0.00 0.00 41.25 37.94 1nqh s ASN 257 CO -0.03 -0.35 0.13 0.61 -3.72 0.00 0.00 177.10 173.74 1nqh n GLY 258 N 3.63 1.47 0.17 1.21 0.00 -0.72 -4.68 105.19 106.27 1nqh n GLY 258 Ca 0.05 -2.08 0.13 0.00 0.00 0.00 0.00 46.02 44.13 1nqh n GLY 258 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1nqh h GLU 259 N 0.00 0.00 0.00 1.61 4.57 -1.98 -3.38 114.58 115.39 1nqh h GLU 259 Ca -0.04 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 1nqh h GLU 259 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1nqh h GLU 259 CO 0.06 0.00 -0.39 -0.11 -1.18 0.00 0.00 179.01 177.39 1nqh n LEU 260 N -2.62 0.95 -4.31 1.64 7.94 -1.26 -4.91 117.00 114.43 1nqh n LEU 260 Ca 0.03 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.61 1nqh n LEU 260 Cb 0.38 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 44.18 1nqh n LEU 260 CO 0.28 0.16 -0.48 -0.63 -1.11 0.00 0.00 177.39 175.61 1nqh s ILE 261 N -1.39 2.75 -0.04 1.96 1.01 -1.26 0.49 121.20 124.73 1nqh s ILE 261 Ca 0.00 -0.76 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1nqh s ILE 261 Cb 0.00 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1nqh s ILE 261 CO 0.00 0.53 -0.11 -0.54 0.00 0.00 0.00 174.94 174.82 1nqh s LYS 262 N 0.46 2.55 0.02 2.79 1.02 0.26 -1.76 119.74 125.07 1nqh s LYS 262 Ca -0.11 -0.67 0.03 0.00 0.02 0.00 0.00 55.97 55.23 1nqh s LYS 262 Cb -0.16 -2.44 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1nqh s LYS 262 CO 0.05 0.63 -0.09 0.45 -0.92 0.00 0.00 175.35 175.47 1nqh s SER 263 N -0.88 1.10 -0.02 2.83 0.15 -0.73 0.28 113.70 116.44 1nqh s SER 263 Ca 0.13 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 1nqh s SER 263 Cb -0.11 -0.07 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1nqh s SER 263 CO 0.02 0.01 0.07 0.00 1.20 0.00 0.00 173.24 174.54 1nqh s GLN 264 N -0.76 0.18 -0.10 5.44 -2.07 -0.59 -1.31 119.66 120.44 1nqh s GLN 264 Ca -0.00 -0.08 0.01 0.00 -1.82 0.00 0.00 55.36 53.47 1nqh s GLN 264 Cb -0.06 0.08 0.02 0.00 -1.09 0.00 0.00 33.01 31.95 1nqh s GLN 264 CO 0.00 -0.03 -0.13 -1.17 -1.32 0.00 0.00 175.29 172.64 1nqh s LEU 265 N -0.40 1.62 0.18 2.60 0.20 -0.60 -0.51 118.68 121.76 1nqh s LEU 265 Ca -0.05 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.42 1nqh s LEU 265 Cb -0.03 -1.00 -0.05 0.00 -0.43 0.00 0.00 46.19 44.68 1nqh s LEU 265 CO 0.00 -0.01 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.38 1nqh s ILE 266 N 1.06 0.97 -0.15 6.68 1.09 0.20 -1.63 121.20 129.42 1nqh s ILE 266 Ca -0.06 -2.02 -0.12 0.00 -1.10 0.00 0.00 60.65 57.35 1nqh s ILE 266 Cb -0.15 -2.07 0.05 0.00 -1.06 0.00 0.00 42.46 39.23 1nqh s ILE 266 CO -0.02 -0.55 0.39 0.28 -0.10 0.00 0.00 174.94 174.94 1nqh s THR 267 N -3.46 -0.01 -0.05 2.92 -1.32 0.12 -1.98 115.64 111.85 1nqh s THR 267 Ca 0.22 0.04 -0.30 0.00 -1.21 0.00 0.00 61.69 60.43 1nqh s THR 267 Cb 0.05 -0.56 0.11 0.00 -1.51 0.00 0.00 72.50 70.59 1nqh s THR 267 CO 0.04 0.01 0.96 -0.55 -2.21 0.00 0.00 174.62 172.87 1nqh s SER 268 N 0.64 -0.32 -0.24 8.08 0.15 -0.95 -1.04 113.70 120.02 1nqh s SER 268 Ca -0.03 0.03 -0.16 0.00 0.70 0.00 0.00 55.95 56.49 1nqh s SER 268 Cb -0.05 0.33 0.07 0.00 -1.71 0.00 0.00 66.02 64.66 1nqh s SER 268 CO -0.04 -0.52 0.59 -0.47 1.20 0.00 0.00 173.24 174.00 1nqh s TYR 269 N -2.82 -0.83 -0.00 3.44 5.04 -1.05 -0.07 117.35 121.06 1nqh s TYR 269 Ca 0.05 1.77 -0.18 0.00 -2.44 0.00 0.00 57.07 56.27 1nqh s TYR 269 Cb -0.01 0.43 0.03 0.00 0.35 0.00 0.00 41.96 42.76 1nqh s TYR 269 CO -0.07 -0.42 0.40 -1.12 -1.34 0.00 0.00 175.55 172.99 1nqh s SER 270 N 1.22 -0.29 -0.30 4.32 0.01 -0.77 -0.73 113.70 117.16 1nqh s SER 270 Ca -0.07 0.15 -0.10 0.00 1.31 0.00 0.00 55.95 57.24 1nqh s SER 270 Cb -0.06 0.38 0.14 0.00 0.21 0.00 0.00 66.02 66.69 1nqh s SER 270 CO -0.12 -0.54 0.69 -2.28 0.41 0.00 0.00 173.24 171.40 1nqh s HIS 271 N -1.67 -1.27 0.00 2.43 5.04 -0.71 -1.35 115.29 117.75 1nqh s HIS 271 Ca -0.11 2.13 0.00 0.00 -1.54 0.00 0.00 55.06 55.54 1nqh s HIS 271 Cb -0.03 0.73 0.00 0.00 0.04 0.00 0.00 32.58 33.33 1nqh s HIS 271 CO 0.03 -0.64 0.00 -1.13 -2.34 0.00 0.00 174.74 170.66 1nqh n SER 272 N 5.39 1.74 0.00 9.88 3.41 0.21 -2.33 113.62 131.93 1nqh n SER 272 Ca -0.11 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.17 1nqh n SER 272 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1nqh n SER 272 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nqh n LYS 273 N 0.00 0.00 -3.59 4.33 5.02 -0.97 -2.17 118.16 120.78 1nqh n LYS 273 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 1nqh n LYS 273 Cb 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 34.88 1nqh n LYS 273 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nqh s ASP 274 N 0.00 3.33 -0.00 4.39 2.15 0.30 -1.36 116.67 125.48 1nqh s ASP 274 Ca 0.00 -2.33 -0.29 0.00 0.43 0.00 0.00 52.55 50.36 1nqh s ASP 274 Cb 0.00 -0.70 -0.03 0.00 -0.30 0.00 0.00 42.92 41.89 1nqh s ASP 274 CO 0.00 -0.30 0.94 -0.31 -0.17 0.00 0.00 175.17 175.33 1nqh s TYR 275 N 0.81 3.66 0.07 -5.34 1.51 -0.59 -1.33 117.35 116.14 1nqh s TYR 275 Ca 0.17 1.65 0.07 0.00 -1.01 0.00 0.00 57.07 57.95 1nqh s TYR 275 Cb -0.23 -3.07 -0.04 0.00 -0.11 0.00 0.00 41.96 38.51 1nqh s TYR 275 CO -0.01 0.02 -0.15 -0.80 -1.11 0.00 0.00 175.55 173.50 1nqh s ASN 276 N 0.91 4.04 0.00 2.29 0.01 -1.02 0.51 114.94 121.68 1nqh s ASN 276 Ca 0.50 -0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 1nqh s ASN 276 Cb -0.21 -0.69 0.00 0.00 0.41 0.00 0.00 41.25 40.76 1nqh s ASN 276 CO 0.27 0.22 0.00 0.00 -1.51 0.00 0.00 177.10 176.08 1nqh n TYR 277 N 1.18 0.00 -4.89 2.20 0.18 -0.48 -2.75 117.16 112.59 1nqh n TYR 277 Ca -0.15 0.00 -0.33 0.00 1.88 0.00 0.00 57.90 59.30 1nqh n TYR 277 Cb 0.52 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 39.35 1nqh n TYR 277 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1nqh s ASP 278 N 0.00 3.97 0.00 9.48 3.84 -1.26 -0.75 116.67 131.96 1nqh s ASP 278 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 52.55 52.31 1nqh s ASP 278 Cb 0.00 -1.00 0.00 0.00 -1.38 0.00 0.00 42.92 40.54 1nqh s ASP 278 CO 0.00 0.30 0.00 -2.65 -0.00 0.00 0.00 175.17 172.82 1nqh n PRO 279 N 2.58 0.00 0.00 2.11 -0.02 -1.26 -3.64 135.00 134.77 1nqh n PRO 279 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1nqh n PRO 279 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.00 1nqh n PRO 279 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1nqh n HIS 280 N 0.00 0.00 -1.51 6.00 8.25 -1.26 -4.87 115.22 121.83 1nqh n HIS 280 Ca 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.51 1nqh n HIS 280 Cb 0.00 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.19 1nqh n HIS 280 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1nqh n TYR 281 N 0.00 0.00 -2.42 4.41 9.36 -1.26 -5.08 117.16 122.17 1nqh n TYR 281 Ca 0.00 -0.55 -0.25 0.00 3.32 0.00 0.00 57.90 60.42 1nqh n TYR 281 Cb 0.00 -0.11 0.04 0.00 -0.63 0.00 0.00 39.34 38.65 1nqh n TYR 281 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1nqh s GLY 282 N -2.03 1.66 0.00 2.98 0.00 -1.24 -4.54 107.32 104.16 1nqh s GLY 282 Ca 0.18 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1nqh s GLY 282 CO 0.01 -0.58 0.00 -2.13 0.00 0.00 0.00 173.10 170.40 1nqh n ARG 283 N -2.62 0.00 -1.66 2.90 0.63 -1.26 -4.70 116.66 109.95 1nqh n ARG 283 Ca 0.06 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.98 1nqh n ARG 283 Cb 0.59 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.50 1nqh n ARG 283 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 1nqh n TYR 284 N 0.00 -0.42 0.00 -0.14 4.01 -1.26 -4.87 117.16 114.48 1nqh n TYR 284 Ca 0.00 0.17 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1nqh n TYR 284 Cb 0.00 -1.81 0.00 0.00 -0.31 0.00 0.00 39.34 37.22 1nqh n TYR 284 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1nqh n ASP 285 N -0.40 0.00 0.00 7.72 2.03 -1.26 -4.95 116.55 119.69 1nqh n ASP 285 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1nqh n ASP 285 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 1nqh n ASP 285 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1nqh n SER 286 N -0.59 0.00 -2.95 1.67 2.88 -1.26 -5.08 113.62 108.29 1nqh n SER 286 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1nqh n SER 286 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nqh n SER 286 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1nqh n SER 287 N 0.00 -7.55 0.00 -3.46 2.88 -1.26 -4.99 113.62 99.23 1nqh n SER 287 Ca 0.00 0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1nqh n SER 287 Cb 0.00 -5.12 0.00 0.00 -0.75 0.00 0.00 64.21 58.34 1nqh n SER 287 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nqh n ALA 288 N -1.50 0.00 -2.83 -1.46 0.00 -1.26 -4.33 120.51 109.13 1nqh n ALA 288 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 1nqh n ALA 288 Cb 0.49 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1nqh n ALA 288 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nqh s THR 289 N 0.00 5.46 -0.07 0.00 -4.23 -1.11 -4.84 115.64 110.86 1nqh s THR 289 Ca 0.00 0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.81 1nqh s THR 289 Cb 0.00 -3.43 -0.01 0.00 1.34 0.00 0.00 72.50 70.40 1nqh s THR 289 CO 0.00 0.59 -0.24 -0.22 -0.54 0.00 0.00 174.62 174.21 1nqh s LEU 290 N -0.80 2.05 -0.15 4.79 2.96 -1.26 -2.43 118.68 123.84 1nqh s LEU 290 Ca 0.15 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1nqh s LEU 290 Cb -0.12 -1.33 0.01 0.00 0.50 0.00 0.00 46.19 45.24 1nqh s LEU 290 CO 0.04 0.21 -0.20 -1.81 -1.32 0.00 0.00 176.35 173.27 1nqh s ASP 291 N -0.01 3.29 -0.05 3.68 1.01 -0.44 -4.92 116.67 119.23 1nqh s ASP 291 Ca -0.08 -0.57 0.05 0.00 0.71 0.00 0.00 52.55 52.67 1nqh s ASP 291 Cb -0.15 -1.49 -0.02 0.00 1.01 0.00 0.00 42.92 42.28 1nqh s ASP 291 CO 0.05 0.07 -0.19 -0.70 0.21 0.00 0.00 175.17 174.61 1nqh s GLU 292 N 0.87 2.52 0.07 8.23 2.12 -1.26 -0.54 118.70 130.71 1nqh s GLU 292 Ca -0.05 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.52 1nqh s GLU 292 Cb -0.15 -2.28 -0.03 0.00 0.26 0.00 0.00 34.13 31.93 1nqh s GLU 292 CO -0.02 0.51 -0.11 1.41 -0.54 0.00 0.00 175.26 176.50 1nqh s MET 293 N -0.45 0.75 -0.21 4.30 1.75 -0.92 -3.04 119.30 121.47 1nqh s MET 293 Ca 0.05 -0.97 0.01 0.00 -1.25 0.00 0.00 55.69 53.54 1nqh s MET 293 Cb -0.12 -0.58 0.04 0.00 2.84 0.00 0.00 34.83 37.01 1nqh s MET 293 CO 0.01 0.11 -0.12 0.15 -0.65 0.00 0.00 175.02 174.53 1nqh s LYS 294 N -2.03 2.24 -0.12 4.11 1.02 -1.08 -0.62 119.74 123.26 1nqh s LYS 294 Ca -0.02 -0.95 -0.02 0.00 0.02 0.00 0.00 55.97 55.00 1nqh s LYS 294 Cb -0.08 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1nqh s LYS 294 CO 0.01 -0.42 -0.05 -1.14 -0.92 0.00 0.00 175.35 172.83 1nqh s GLN 295 N 1.31 3.34 0.18 1.68 0.74 -0.46 -1.68 119.66 124.77 1nqh s GLN 295 Ca -0.02 -0.52 0.11 0.00 0.05 0.00 0.00 55.36 54.98 1nqh s GLN 295 Cb -0.16 -2.80 -0.04 0.00 1.10 0.00 0.00 33.01 31.10 1nqh s GLN 295 CO -0.08 0.40 -0.23 0.71 -0.55 0.00 0.00 175.29 175.54 1nqh s TYR 296 N -0.09 2.17 -0.08 1.67 1.51 0.20 -1.84 117.35 120.88 1nqh s TYR 296 Ca 0.02 -0.39 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 1nqh s TYR 296 Cb -0.13 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 1nqh s TYR 296 CO 0.03 0.44 0.22 0.99 -1.11 0.00 0.00 175.55 176.11 1nqh s THR 297 N -1.68 -0.00 -0.14 -0.71 2.01 0.90 -0.69 115.64 115.33 1nqh s THR 297 Ca 0.18 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1nqh s THR 297 Cb -0.08 -0.31 0.04 0.00 0.01 0.00 0.00 72.50 72.16 1nqh s THR 297 CO 0.09 0.00 0.35 -0.69 -0.69 0.00 0.00 174.62 173.68 1nqh s VAL 298 N 0.15 -0.01 -0.11 3.82 1.01 0.10 -2.24 120.40 123.12 1nqh s VAL 298 Ca -0.00 0.04 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1nqh s VAL 298 Cb -0.02 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.89 1nqh s VAL 298 CO 0.00 0.02 0.40 -1.10 0.00 0.00 0.00 175.10 174.42 1nqh s GLN 299 N 0.62 0.56 -0.05 2.72 -0.21 -0.84 0.81 119.66 123.26 1nqh s GLN 299 Ca -0.03 0.36 -0.03 0.00 0.02 0.00 0.00 55.36 55.67 1nqh s GLN 299 Cb -0.05 0.27 0.03 0.00 1.00 0.00 0.00 33.01 34.25 1nqh s GLN 299 CO -0.04 -0.10 0.13 -0.46 -2.12 0.00 0.00 175.29 172.70 1nqh s TRP 300 N -0.26 -0.14 0.02 0.91 -0.00 -0.70 0.59 118.94 119.36 1nqh s TRP 300 Ca -0.04 0.39 -0.02 0.00 -0.00 0.00 0.00 56.10 56.43 1nqh s TRP 300 Cb -0.03 -0.03 -0.01 0.00 -0.00 0.00 0.00 33.47 33.39 1nqh s TRP 300 CO 0.02 -0.11 0.02 0.00 -0.00 0.00 0.00 176.95 176.87 1nqh s ALA 301 N 0.64 -0.00 0.08 5.86 0.00 0.33 -1.68 121.76 126.99 1nqh s ALA 301 Ca -0.05 -0.46 0.04 0.00 0.00 0.00 0.00 51.96 51.49 1nqh s ALA 301 Cb -0.06 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1nqh s ALA 301 CO -0.03 -0.17 -0.11 -0.80 0.00 0.00 0.00 175.76 174.65 1nqh s ASN 302 N -1.44 1.47 0.05 0.00 0.02 0.38 -1.55 114.94 113.87 1nqh s ASN 302 Ca -0.16 -0.72 -0.01 0.00 -1.02 0.00 0.00 52.86 50.95 1nqh s ASN 302 Cb -0.09 -0.01 -0.03 0.00 0.02 0.00 0.00 41.25 41.13 1nqh s ASN 302 CO -0.00 -0.19 -0.01 0.21 0.02 0.00 0.00 177.10 177.12 1nqh s ASN 303 N -2.12 0.41 0.15 -1.22 3.84 0.14 -1.15 114.94 114.99 1nqh s ASN 303 Ca 0.01 -0.87 -0.10 0.00 0.21 0.00 0.00 52.86 52.11 1nqh s ASN 303 Cb -0.06 0.19 -0.00 0.00 -0.55 0.00 0.00 41.25 40.83 1nqh s ASN 303 CO 0.01 -0.55 0.28 0.54 -2.79 0.00 0.00 177.10 174.59 1nqh s VAL 304 N -3.44 0.08 -0.12 -5.21 0.11 0.17 0.91 120.40 112.90 1nqh s VAL 304 Ca 0.02 -1.26 -0.22 0.00 -2.93 0.00 0.00 61.98 57.60 1nqh s VAL 304 Cb 0.04 -1.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.19 1nqh s VAL 304 CO -0.08 -0.38 0.65 -0.63 -3.33 0.00 0.00 175.10 171.34 1nqh s ILE 305 N -3.93 5.05 -0.18 7.04 1.01 0.18 -1.91 121.20 128.47 1nqh s ILE 305 Ca 0.13 1.31 -0.10 0.00 0.00 0.00 0.00 60.65 61.99 1nqh s ILE 305 Cb 0.03 -3.99 0.06 0.00 0.01 0.00 0.00 42.46 38.58 1nqh s ILE 305 CO -0.04 0.21 0.43 -0.69 0.00 0.00 0.00 174.94 174.86 1nqh s VAL 306 N 1.15 -0.02 0.00 2.92 1.01 -0.85 -4.95 120.40 119.65 1nqh s VAL 306 Ca 0.33 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1nqh s VAL 306 Cb -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1nqh s VAL 306 CO 0.14 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1nqh n GLY 307 N 4.09 0.77 2.76 4.51 0.00 -1.26 -1.42 105.19 114.64 1nqh n GLY 307 Ca -0.22 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 1nqh n GLY 307 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nqh n HIS 308 N 3.38 3.29 -3.89 1.61 -0.00 -1.26 -4.92 115.22 113.43 1nqh n HIS 308 Ca 0.00 -3.11 -0.11 0.00 -0.00 0.00 0.00 57.72 54.50 1nqh n HIS 308 Cb 0.00 -0.90 0.01 0.00 -0.00 0.00 0.00 29.99 29.09 1nqh n HIS 308 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 1nqh s GLY 309 N -2.20 0.71 0.11 -1.41 0.00 -0.51 -0.28 107.32 103.75 1nqh s GLY 309 Ca 0.43 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 1nqh s GLY 309 CO -0.14 -0.52 0.22 -1.35 0.00 0.00 0.00 173.10 171.31 1nqh s SER 310 N -3.12 0.09 0.06 1.64 1.04 0.13 -2.01 113.70 111.52 1nqh s SER 310 Ca 0.20 -0.71 0.06 0.00 0.48 0.00 0.00 55.95 55.98 1nqh s SER 310 Cb -0.04 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1nqh s SER 310 CO 0.14 -0.78 -0.17 -0.51 0.98 0.00 0.00 173.24 172.90 1nqh s ILE 311 N -3.89 1.38 0.11 -1.02 2.07 -0.80 -0.96 121.20 118.09 1nqh s ILE 311 Ca 0.08 -1.20 -0.15 0.00 -1.41 0.00 0.00 60.65 57.98 1nqh s ILE 311 Cb 0.04 -1.24 0.03 0.00 0.13 0.00 0.00 42.46 41.42 1nqh s ILE 311 CO -0.08 0.02 0.36 -0.83 -1.91 0.00 0.00 174.94 172.50 1nqh s GLY 312 N -1.37 -0.20 -0.00 1.50 0.00 0.18 -0.66 107.32 106.76 1nqh s GLY 312 Ca 0.04 -0.14 -0.29 0.00 0.00 0.00 0.00 44.72 44.33 1nqh s GLY 312 CO 0.02 -0.39 0.65 0.00 0.00 0.00 0.00 173.10 173.38 1nqh s ALA 313 N -3.74 -1.69 0.35 3.20 0.00 -0.30 0.11 121.76 119.68 1nqh s ALA 313 Ca 0.03 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.07 1nqh s ALA 313 Cb 0.02 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.34 1nqh s ALA 313 CO -0.11 -0.45 0.49 0.20 0.00 0.00 0.00 175.76 175.88 1nqh s GLY 314 N -1.54 1.53 0.16 0.00 0.00 -0.62 -0.47 107.32 106.37 1nqh s GLY 314 Ca -0.08 -1.53 0.08 0.00 0.00 0.00 0.00 44.72 43.18 1nqh s GLY 314 CO 0.05 -1.00 -0.18 0.14 0.00 0.00 0.00 173.10 172.11 1nqh s VAL 315 N -2.95 1.78 -0.29 1.40 1.01 -0.68 -1.86 120.40 118.80 1nqh s VAL 315 Ca 0.30 -1.87 -0.01 0.00 0.00 0.00 0.00 61.98 60.40 1nqh s VAL 315 Cb -0.01 -1.80 0.18 0.00 0.00 0.00 0.00 36.38 34.76 1nqh s VAL 315 CO 0.21 -0.30 0.57 -0.62 0.00 0.00 0.00 175.10 174.96 1nqh s ASP 316 N -2.58 -1.16 -0.07 3.32 2.15 -0.71 -1.71 116.67 115.90 1nqh s ASP 316 Ca 0.14 0.79 0.05 0.00 0.43 0.00 0.00 52.55 53.97 1nqh s ASP 316 Cb -0.06 2.02 -0.01 0.00 -0.30 0.00 0.00 42.92 44.57 1nqh s ASP 316 CO 0.06 -0.27 -0.24 0.86 -0.17 0.00 0.00 175.17 175.41 1nqh s TRP 317 N 2.82 2.41 -0.01 -5.34 -0.00 0.24 -1.95 118.94 117.11 1nqh s TRP 317 Ca 0.20 -0.78 0.06 0.00 -0.00 0.00 0.00 56.10 55.58 1nqh s TRP 317 Cb -0.15 -1.59 -0.02 0.00 -0.00 0.00 0.00 33.47 31.71 1nqh s TRP 317 CO -0.20 -0.26 -0.20 -1.14 -0.00 0.00 0.00 176.95 175.15 1nqh s GLN 318 N -0.03 1.55 -0.04 5.86 0.74 -0.01 0.01 119.66 127.75 1nqh s GLN 318 Ca -0.07 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 54.60 1nqh s GLN 318 Cb -0.15 -1.52 0.03 0.00 1.10 0.00 0.00 33.01 32.47 1nqh s GLN 318 CO 0.05 0.41 0.06 0.21 -0.55 0.00 0.00 175.29 175.47 1nqh s LYS 319 N -0.55 -0.06 -0.24 1.67 2.20 0.13 -0.50 119.74 122.39 1nqh s LYS 319 Ca 0.07 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.03 1nqh s LYS 319 Cb -0.08 -0.43 0.07 0.00 -1.51 0.00 0.00 37.83 35.88 1nqh s LYS 319 CO -0.00 -0.29 -0.02 -0.65 -0.36 0.00 0.00 175.35 174.02 1nqh s GLN 320 N 1.91 1.38 -0.43 4.03 -0.21 0.03 0.60 119.66 126.98 1nqh s GLN 320 Ca 0.02 -0.96 -0.11 0.00 0.02 0.00 0.00 55.36 54.33 1nqh s GLN 320 Cb -0.12 -2.50 0.07 0.00 1.00 0.00 0.00 33.01 31.46 1nqh s GLN 320 CO -0.03 -0.66 0.30 0.95 -2.12 0.00 0.00 175.29 173.73 1nqh s THR 321 N 1.46 4.58 0.44 -0.19 -4.23 -0.68 -0.35 115.64 116.67 1nqh s THR 321 Ca -0.03 -1.27 -0.03 0.00 -1.18 0.00 0.00 61.69 59.19 1nqh s THR 321 Cb -0.18 -3.77 -0.03 0.00 1.34 0.00 0.00 72.50 69.86 1nqh s THR 321 CO -0.08 -0.52 0.70 0.42 -0.54 0.00 0.00 174.62 174.60 1nqh s THR 322 N 1.50 4.73 0.15 3.99 -4.23 0.37 -2.63 115.64 119.52 1nqh s THR 322 Ca 0.03 -0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.45 1nqh s THR 322 Cb -0.23 -3.77 -0.04 0.00 1.34 0.00 0.00 72.50 69.80 1nqh s THR 322 CO 0.04 -0.65 0.16 -0.89 -0.54 0.00 0.00 174.62 172.74 1nqh s THR 323 N -2.60 4.69 0.00 3.99 2.01 -1.17 -4.20 115.64 118.36 1nqh s THR 323 Ca 0.46 -0.95 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1nqh s THR 323 Cb -0.10 -3.38 0.00 0.00 0.01 0.00 0.00 72.50 69.03 1nqh s THR 323 CO 0.41 -0.07 0.00 -0.81 -0.69 0.00 0.00 174.62 173.46 1nqh n PRO 324 N -0.29 0.49 -0.12 4.92 -0.04 -1.26 -4.46 135.00 134.24 1nqh n PRO 324 Ca -0.08 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.22 1nqh n PRO 324 Cb 0.54 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.88 1nqh n PRO 324 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1nqh n GLU 330 N -0.35 0.67 0.00 0.54 2.13 -1.26 -4.98 120.64 117.39 1nqh n GLU 330 Ca 0.00 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.93 1nqh n GLU 330 Cb 0.00 -1.51 0.00 0.00 0.27 0.00 0.00 31.44 30.20 1nqh n GLU 330 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1nqh n ASP 331 N -3.12 0.00 -4.67 4.31 -0.08 -1.26 -4.91 116.55 106.82 1nqh n ASP 331 Ca -0.42 0.35 -0.42 0.00 -1.51 0.00 0.00 54.79 52.78 1nqh n ASP 331 Cb 1.01 -0.34 -0.03 0.00 2.34 0.00 0.00 41.12 44.11 1nqh n ASP 331 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1nqh s GLY 332 N -1.66 1.55 0.29 0.27 0.00 -1.26 -4.73 107.32 101.78 1nqh s GLY 332 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1nqh s GLY 332 CO 0.00 3.02 0.00 -1.72 0.00 0.00 0.00 173.10 174.40 1nqh n TYR 333 N 6.71 -3.57 -4.70 1.90 4.02 -1.26 -4.63 117.16 115.62 1nqh n TYR 333 Ca 0.17 0.93 -0.28 0.00 -0.01 0.00 0.00 57.90 58.71 1nqh n TYR 333 Cb 0.42 2.43 -0.17 0.00 -0.02 0.00 0.00 39.34 42.00 1nqh n TYR 333 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1nqh s ASP 334 N -2.11 2.35 0.00 7.72 -1.08 -1.26 0.14 116.67 122.43 1nqh s ASP 334 Ca 0.00 -0.41 -0.01 0.00 -0.52 0.00 0.00 52.55 51.61 1nqh s ASP 334 Cb 0.00 -1.07 -0.01 0.00 -1.46 0.00 0.00 42.92 40.39 1nqh s ASP 334 CO 0.00 0.06 0.01 -1.58 0.52 0.00 0.00 175.17 174.18 1nqh s GLN 335 N 0.70 0.14 0.01 4.34 0.74 0.52 -4.93 119.66 121.18 1nqh s GLN 335 Ca -0.13 -0.21 0.04 0.00 0.05 0.00 0.00 55.36 55.11 1nqh s GLN 335 Cb -0.16 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 33.99 1nqh s GLN 335 CO 0.03 -0.02 -0.12 1.03 -0.55 0.00 0.00 175.29 175.66 1nqh s ARG 336 N -0.55 0.86 0.03 1.67 0.52 -1.26 -0.79 118.95 119.44 1nqh s ARG 336 Ca -0.06 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 54.67 1nqh s ARG 336 Cb -0.04 -0.83 -0.02 0.00 0.52 0.00 0.00 34.95 34.58 1nqh s ARG 336 CO -0.00 0.22 -0.13 1.21 0.02 0.00 0.00 175.30 176.62 1nqh s ASN 337 N -0.60 1.48 -0.02 0.23 3.84 0.34 -1.50 114.94 118.71 1nqh s ASN 337 Ca 0.02 -0.42 -0.00 0.00 0.21 0.00 0.00 52.86 52.67 1nqh s ASN 337 Cb -0.06 -0.09 0.02 0.00 -0.55 0.00 0.00 41.25 40.57 1nqh s ASN 337 CO 0.00 0.02 0.03 -0.89 -2.79 0.00 0.00 177.10 173.48 1nqh s THR 338 N -0.80 -0.04 0.14 -5.21 2.01 0.13 -0.83 115.64 111.05 1nqh s THR 338 Ca 0.01 0.14 0.06 0.00 0.31 0.00 0.00 61.69 62.21 1nqh s THR 338 Cb -0.07 -0.08 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 1nqh s THR 338 CO 0.01 0.06 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.04 1nqh s GLY 339 N 0.73 1.13 -0.05 4.40 0.00 -0.82 -0.13 107.32 112.58 1nqh s GLY 339 Ca -0.06 -1.40 0.01 0.00 0.00 0.00 0.00 44.72 43.27 1nqh s GLY 339 CO -0.02 -1.48 -0.06 -1.50 0.00 0.00 0.00 173.10 170.04 1nqh s ILE 340 N -2.60 0.64 0.28 0.90 2.07 -0.78 -1.75 121.20 119.97 1nqh s ILE 340 Ca 0.13 -0.20 0.02 0.00 -1.41 0.00 0.00 60.65 59.20 1nqh s ILE 340 Cb -0.02 -0.64 -0.05 0.00 0.13 0.00 0.00 42.46 41.88 1nqh s ILE 340 CO 0.03 0.24 0.12 -0.72 -1.91 0.00 0.00 174.94 172.70 1nqh s TYR 341 N 0.81 1.59 -0.04 3.50 -0.85 -0.78 -2.10 117.35 119.48 1nqh s TYR 341 Ca -0.12 -1.24 0.06 0.00 -0.52 0.00 0.00 57.07 55.25 1nqh s TYR 341 Cb -0.14 -0.92 -0.01 0.00 0.38 0.00 0.00 41.96 41.27 1nqh s TYR 341 CO 0.01 -0.38 -0.21 -1.17 -1.52 0.00 0.00 175.55 172.28 1nqh s LEU 342 N -3.36 2.00 0.20 -3.49 2.96 0.90 -1.59 118.68 116.30 1nqh s LEU 342 Ca 0.36 -0.42 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1nqh s LEU 342 Cb 0.07 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.56 1nqh s LEU 342 CO 0.15 0.21 -0.22 0.42 -1.32 0.00 0.00 176.35 175.60 1nqh s THR 343 N -0.17 2.21 -0.03 3.68 -4.23 0.29 -0.62 115.64 116.77 1nqh s THR 343 Ca -0.01 -2.04 0.01 0.00 -1.18 0.00 0.00 61.69 58.47 1nqh s THR 343 Cb -0.12 -2.06 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1nqh s THR 343 CO 0.02 -0.21 -0.02 -0.83 -0.54 0.00 0.00 174.62 173.04 1nqh s GLY 344 N -2.77 0.31 -0.08 3.99 0.00 -0.92 0.49 107.32 108.34 1nqh s GLY 344 Ca 0.20 0.08 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1nqh s GLY 344 CO 0.09 0.50 -0.06 -2.27 0.00 0.00 0.00 173.10 171.37 1nqh s LEU 345 N 0.93 3.19 0.19 0.66 0.20 -0.14 0.35 118.68 124.06 1nqh s LEU 345 Ca -0.10 -0.02 -0.15 0.00 0.69 0.00 0.00 54.13 54.54 1nqh s LEU 345 Cb -0.14 -1.70 0.02 0.00 -0.43 0.00 0.00 46.19 43.94 1nqh s LEU 345 CO -0.01 0.35 0.47 -1.10 -0.29 0.00 0.00 176.35 175.77 1nqh s GLN 346 N -0.71 1.35 -0.12 1.98 -1.52 -0.33 0.20 119.66 120.51 1nqh s GLN 346 Ca 0.11 -0.96 0.01 0.00 -1.95 0.00 0.00 55.36 52.57 1nqh s GLN 346 Cb -0.11 0.49 0.02 0.00 -0.22 0.00 0.00 33.01 33.18 1nqh s GLN 346 CO 0.02 -0.56 -0.14 -0.65 -0.25 0.00 0.00 175.29 173.71 1nqh s GLN 347 N -3.90 2.21 -0.15 2.91 -0.21 0.62 -0.94 119.66 120.20 1nqh s GLN 347 Ca 0.12 -0.54 -0.02 0.00 0.02 0.00 0.00 55.36 54.93 1nqh s GLN 347 Cb -0.00 -1.95 0.05 0.00 1.00 0.00 0.00 33.01 32.10 1nqh s GLN 347 CO -0.01 -0.14 0.02 0.54 -2.12 0.00 0.00 175.29 173.58 1nqh s VAL 348 N 1.21 0.49 0.00 1.09 0.11 0.69 -4.63 120.40 119.36 1nqh s VAL 348 Ca -0.02 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1nqh s VAL 348 Cb -0.14 -0.87 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1nqh s VAL 348 CO -0.05 -0.04 0.00 0.61 -3.33 0.00 0.00 175.10 172.29 1nqh n GLY 349 N 5.08 2.46 1.76 6.54 0.00 -1.26 -1.33 105.19 118.44 1nqh n GLY 349 Ca -0.08 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.57 1nqh n GLY 349 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1nqh n ASP 350 N 5.63 4.19 -4.35 1.61 8.00 -1.26 -4.86 116.55 125.49 1nqh n ASP 350 Ca 0.00 -2.97 -0.33 0.00 0.71 0.00 0.00 54.79 52.20 1nqh n ASP 350 Cb 0.00 -0.70 -0.14 0.00 -0.02 0.00 0.00 41.12 40.26 1nqh n ASP 350 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nqh s PHE 351 N -2.46 2.84 0.05 1.24 0.40 -0.44 -1.23 117.98 118.38 1nqh s PHE 351 Ca 0.43 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1nqh s PHE 351 Cb 0.35 -1.89 -0.04 0.00 0.51 0.00 0.00 43.02 41.95 1nqh s PHE 351 CO 0.11 -0.28 0.05 0.99 0.70 0.00 0.00 175.22 176.78 1nqh s THR 352 N 0.57 4.38 -0.04 0.64 2.01 -0.94 -0.22 115.64 122.03 1nqh s THR 352 Ca -0.07 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.22 1nqh s THR 352 Cb -0.15 -3.06 0.02 0.00 0.01 0.00 0.00 72.50 69.31 1nqh s THR 352 CO 0.03 0.21 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.75 1nqh s PHE 353 N -1.28 0.86 -0.02 4.92 0.40 -0.12 -1.19 117.98 121.56 1nqh s PHE 353 Ca 0.26 -0.24 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 1nqh s PHE 353 Cb -0.12 -0.69 0.01 0.00 0.51 0.00 0.00 43.02 42.73 1nqh s PHE 353 CO 0.18 -0.17 -0.04 -2.00 0.70 0.00 0.00 175.22 173.89 1nqh s GLU 354 N 0.67 0.46 0.21 0.44 2.12 -0.07 -1.18 118.70 121.34 1nqh s GLU 354 Ca -0.10 -0.10 -0.12 0.00 0.36 0.00 0.00 54.97 55.01 1nqh s GLU 354 Cb -0.13 -0.50 0.00 0.00 0.26 0.00 0.00 34.13 33.77 1nqh s GLU 354 CO 0.01 0.01 0.42 0.20 -0.54 0.00 0.00 175.26 175.35 1nqh s GLY 355 N 0.37 0.40 -0.11 -1.50 0.00 0.15 -2.21 107.32 104.42 1nqh s GLY 355 Ca -0.04 -0.75 -0.23 0.00 0.00 0.00 0.00 44.72 43.70 1nqh s GLY 355 CO -0.00 -0.63 0.56 0.00 0.00 0.00 0.00 173.10 173.02 1nqh s ALA 356 N -3.97 -1.42 0.09 3.20 0.00 -0.99 -2.17 121.76 116.51 1nqh s ALA 356 Ca 0.18 1.24 -0.14 0.00 0.00 0.00 0.00 51.96 53.24 1nqh s ALA 356 Cb 0.01 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.77 1nqh s ALA 356 CO 0.03 -0.31 0.33 0.00 0.00 0.00 0.00 175.76 175.82 1nqh s ALA 357 N -0.60 -0.70 -0.21 0.00 0.00 0.21 -1.95 121.76 118.51 1nqh s ALA 357 Ca -0.07 -0.16 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 1nqh s ALA 357 Cb -0.03 0.54 0.06 0.00 0.00 0.00 0.00 23.12 23.69 1nqh s ALA 357 CO 0.05 -0.55 0.56 0.50 0.00 0.00 0.00 175.76 176.32 1nqh s ARG 358 N -3.48 0.65 -0.10 0.00 3.52 -0.21 -0.07 118.95 119.26 1nqh s ARG 358 Ca 0.01 0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 56.36 1nqh s ARG 358 Cb 0.02 0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 33.67 1nqh s ARG 358 CO -0.09 -0.08 0.09 0.45 -0.81 0.00 0.00 175.30 174.86 1nqh s SER 359 N 0.39 5.98 0.07 -2.12 0.15 -0.89 -0.69 113.70 116.59 1nqh s SER 359 Ca -0.01 0.34 0.09 0.00 0.70 0.00 0.00 55.95 57.07 1nqh s SER 359 Cb -0.04 -1.85 -0.03 0.00 -1.71 0.00 0.00 66.02 62.38 1nqh s SER 359 CO -0.01 0.39 -0.22 -1.81 1.20 0.00 0.00 173.24 172.79 1nqh s ASP 360 N -1.06 3.52 -0.21 5.45 1.11 0.16 -1.87 116.67 123.78 1nqh s ASP 360 Ca 0.15 -0.56 0.01 0.00 0.18 0.00 0.00 52.55 52.33 1nqh s ASP 360 Cb -0.12 -0.42 0.03 0.00 1.07 0.00 0.00 42.92 43.48 1nqh s ASP 360 CO 0.05 0.23 -0.16 -0.62 1.18 0.00 0.00 175.17 175.85 1nqh s ASP 361 N -1.60 3.59 -0.11 0.27 2.15 0.81 -1.40 116.67 120.38 1nqh s ASP 361 Ca 0.14 -0.80 0.02 0.00 0.43 0.00 0.00 52.55 52.35 1nqh s ASP 361 Cb -0.10 -1.53 -0.01 0.00 -0.30 0.00 0.00 42.92 40.98 1nqh s ASP 361 CO 0.05 -0.05 -0.19 0.21 -0.17 0.00 0.00 175.17 175.02 1nqh s ASN 362 N 1.27 3.49 0.00 -0.34 2.47 0.70 -0.69 114.94 121.84 1nqh s ASN 362 Ca 0.02 -0.45 0.15 0.00 0.42 0.00 0.00 52.86 53.00 1nqh s ASN 362 Cb -0.15 -1.43 0.79 0.00 -1.45 0.00 0.00 41.25 39.02 1nqh s ASN 362 CO -0.10 0.18 1.42 -1.54 -3.72 0.00 0.00 177.10 173.34 1nqh n SER 363 N 3.43 0.00 -0.13 -4.21 3.41 -0.56 0.15 113.62 115.72 1nqh n SER 363 Ca -0.18 0.01 -0.27 0.00 -0.26 0.00 0.00 58.87 58.16 1nqh n SER 363 Cb 0.53 -0.26 -0.11 0.00 -0.26 0.00 0.00 64.21 64.12 1nqh n SER 363 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1nqh n GLN 364 N -1.26 0.58 0.00 4.33 7.27 -1.26 -4.77 117.38 122.28 1nqh n GLN 364 Ca 0.08 0.38 0.06 0.00 0.07 0.00 0.00 57.00 57.58 1nqh n GLN 364 Cb 0.11 -1.59 0.03 0.00 2.41 0.00 0.00 30.24 31.21 1nqh n GLN 364 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1nqh n PHE 365 N -4.30 0.00 0.00 3.69 1.16 -1.17 -4.97 117.46 111.87 1nqh n PHE 365 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.11 1nqh n PHE 365 Cb 0.82 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.69 1nqh n PHE 365 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1nqh n GLY 366 N 0.80 1.33 3.81 4.97 0.00 0.12 -4.86 105.19 111.36 1nqh n GLY 366 Ca 0.06 -0.92 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1nqh n GLY 366 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqh s ARG 367 N 0.00 3.26 -0.00 1.61 3.52 -1.26 0.25 118.95 126.33 1nqh s ARG 367 Ca 0.00 -0.27 -0.16 0.00 -0.13 0.00 0.00 55.73 55.17 1nqh s ARG 367 Cb 0.00 -3.03 0.03 0.00 -1.56 0.00 0.00 34.95 30.39 1nqh s ARG 367 CO 0.00 0.73 0.35 -1.58 -0.81 0.00 0.00 175.30 174.00 1nqh s HIS 368 N -1.03 -0.22 0.31 5.12 2.46 -0.49 -4.94 115.29 116.50 1nqh s HIS 368 Ca 0.16 0.30 0.04 0.00 0.47 0.00 0.00 55.06 56.03 1nqh s HIS 368 Cb -0.12 0.14 -0.04 0.00 -0.13 0.00 0.00 32.58 32.43 1nqh s HIS 368 CO 0.06 -0.44 0.17 0.20 -2.47 0.00 0.00 174.74 172.26 1nqh s GLY 369 N -1.48 2.13 -0.27 1.59 0.00 -1.26 0.39 107.32 108.42 1nqh s GLY 369 Ca -0.11 -1.75 -0.26 0.00 0.00 0.00 0.00 44.72 42.59 1nqh s GLY 369 CO 0.03 -1.59 1.17 -1.08 0.00 0.00 0.00 173.10 171.64 1nqh s THR 370 N -3.56 0.00 0.06 0.90 -1.32 0.13 -4.92 115.64 106.93 1nqh s THR 370 Ca 0.35 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.71 1nqh s THR 370 Cb 0.04 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 1nqh s THR 370 CO 0.18 0.00 0.26 -1.66 -2.21 0.00 0.00 174.62 171.20 1nqh s TRP 371 N -0.14 -0.02 0.04 9.09 1.48 -1.24 -1.04 118.94 127.11 1nqh s TRP 371 Ca 0.04 -0.23 -0.08 0.00 -1.06 0.00 0.00 56.10 54.77 1nqh s TRP 371 Cb -0.04 0.05 -0.00 0.00 -1.16 0.00 0.00 33.47 32.32 1nqh s TRP 371 CO -0.08 -0.52 0.16 1.14 -4.06 0.00 0.00 176.95 173.59 1nqh s GLN 372 N -3.04 0.68 0.08 3.25 -2.07 -0.82 -0.50 119.66 117.23 1nqh s GLN 372 Ca -0.01 -0.72 -0.04 0.00 -1.82 0.00 0.00 55.36 52.77 1nqh s GLN 372 Cb 0.01 0.27 -0.03 0.00 -1.09 0.00 0.00 33.01 32.18 1nqh s GLN 372 CO -0.06 -0.19 0.07 0.99 -1.32 0.00 0.00 175.29 174.78 1nqh s THR 373 N -2.75 0.17 -0.10 3.63 2.01 0.02 -2.34 115.64 116.27 1nqh s THR 373 Ca -0.04 -1.61 -0.29 0.00 0.31 0.00 0.00 61.69 60.06 1nqh s THR 373 Cb -0.00 -1.57 0.07 0.00 0.01 0.00 0.00 72.50 71.00 1nqh s THR 373 CO -0.05 -0.77 0.68 -0.44 -0.69 0.00 0.00 174.62 173.35 1nqh s SER 374 N -2.93 -0.67 0.00 3.53 0.01 -0.94 0.09 113.70 112.80 1nqh s SER 374 Ca 0.10 0.87 0.02 0.00 1.31 0.00 0.00 55.95 58.25 1nqh s SER 374 Cb 0.07 0.75 -0.01 0.00 0.21 0.00 0.00 66.02 67.04 1nqh s SER 374 CO -0.08 -0.52 -0.06 0.00 0.41 0.00 0.00 173.24 172.99 1nqh s ALA 375 N -0.83 0.46 0.35 1.44 0.00 -1.00 -0.89 121.76 121.29 1nqh s ALA 375 Ca -0.09 -0.28 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1nqh s ALA 375 Cb -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.94 1nqh s ALA 375 CO 0.08 0.10 -0.08 0.20 0.00 0.00 0.00 175.76 176.06 1nqh s GLY 376 N -0.26 2.23 -0.15 0.00 0.00 -0.33 -2.21 107.32 106.60 1nqh s GLY 376 Ca 0.01 -2.12 -0.04 0.00 0.00 0.00 0.00 44.72 42.57 1nqh s GLY 376 CO -0.00 -2.04 0.13 0.86 0.00 0.00 0.00 173.10 172.05 1nqh s TRP 377 N -2.64 -0.01 -0.75 1.90 -0.00 -0.06 -2.22 118.94 115.15 1nqh s TRP 377 Ca 0.33 0.04 -0.23 0.00 -0.00 0.00 0.00 56.10 56.24 1nqh s TRP 377 Cb 0.04 -0.51 0.07 0.00 -0.00 0.00 0.00 33.47 33.07 1nqh s TRP 377 CO 0.17 -0.47 1.09 -2.00 -0.00 0.00 0.00 176.95 175.74 1nqh s GLU 378 N 2.22 3.25 0.09 5.86 2.12 -0.36 -0.93 118.70 130.94 1nqh s GLU 378 Ca 0.04 -0.91 0.23 0.00 0.36 0.00 0.00 54.97 54.69 1nqh s GLU 378 Cb -0.15 -4.45 0.16 0.00 0.26 0.00 0.00 34.13 29.96 1nqh s GLU 378 CO -0.09 -1.91 1.14 1.97 -0.54 0.00 0.00 175.26 175.84 1nqh n PHE 379 N 7.92 0.44 -3.75 5.30 1.16 -1.13 -4.74 117.46 122.66 1nqh n PHE 379 Ca 0.06 0.13 -0.11 0.00 -1.87 0.00 0.00 57.45 55.65 1nqh n PHE 379 Cb 0.47 -0.57 -0.07 0.00 -1.61 0.00 0.00 39.48 37.70 1nqh n PHE 379 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 1nqh s ILE 380 N -3.20 0.09 0.06 1.97 1.01 -1.24 -5.04 121.20 114.85 1nqh s ILE 380 Ca 0.04 -0.71 -0.31 0.00 0.00 0.00 0.00 60.65 59.67 1nqh s ILE 380 Cb 0.14 -1.00 -0.07 0.00 0.01 0.00 0.00 42.46 41.53 1nqh s ILE 380 CO 0.77 -0.39 1.41 -0.70 0.00 0.00 0.00 174.94 176.03 1nqh s GLU 381 N -2.82 4.30 0.00 2.79 2.12 -1.26 -0.29 118.70 123.54 1nqh s GLU 381 Ca -0.03 2.05 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1nqh s GLU 381 Cb 0.00 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.97 1nqh s GLU 381 CO -0.05 -0.52 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 1nqh n GLY 382 N 3.59 0.54 3.32 -1.50 0.00 -1.26 -4.95 105.19 104.93 1nqh n GLY 382 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 1nqh n GLY 382 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqh s TYR 383 N -2.00 2.22 -0.26 1.61 1.51 0.60 -0.78 117.35 120.26 1nqh s TYR 383 Ca 0.00 -0.41 -0.23 0.00 -1.01 0.00 0.00 57.07 55.42 1nqh s TYR 383 Cb 0.00 -1.34 0.07 0.00 -0.11 0.00 0.00 41.96 40.57 1nqh s TYR 383 CO 0.00 0.10 0.68 0.50 -1.11 0.00 0.00 175.55 175.72 1nqh s ARG 384 N -1.15 0.79 -0.13 -0.62 3.52 0.13 -2.82 118.95 118.67 1nqh s ARG 384 Ca 0.11 0.95 0.01 0.00 -0.13 0.00 0.00 55.73 56.67 1nqh s ARG 384 Cb -0.10 0.38 0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1nqh s ARG 384 CO 0.02 -0.10 -0.16 0.12 -0.81 0.00 0.00 175.30 174.37 1nqh s PHE 385 N 0.39 2.15 -0.06 5.12 5.36 -0.11 -0.29 117.98 130.53 1nqh s PHE 385 Ca -0.00 -1.10 0.05 0.00 -0.96 0.00 0.00 56.93 54.92 1nqh s PHE 385 Cb -0.05 -1.54 -0.00 0.00 -0.34 0.00 0.00 43.02 41.09 1nqh s PHE 385 CO 0.00 -0.57 -0.21 0.42 -1.46 0.00 0.00 175.22 173.41 1nqh s ILE 386 N 1.14 1.76 0.13 3.12 1.01 -0.26 -0.89 121.20 127.22 1nqh s ILE 386 Ca -0.02 -0.89 0.10 0.00 0.00 0.00 0.00 60.65 59.84 1nqh s ILE 386 Cb -0.14 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.77 1nqh s ILE 386 CO -0.05 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.15 1nqh s ALA 387 N 0.09 2.50 -0.01 9.38 0.00 -0.94 -0.73 121.76 132.05 1nqh s ALA 387 Ca -0.08 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.30 1nqh s ALA 387 Cb -0.14 -0.47 0.02 0.00 0.00 0.00 0.00 23.12 22.53 1nqh s ALA 387 CO 0.04 0.54 0.27 -1.12 0.00 0.00 0.00 175.76 175.50 1nqh s SER 388 N -2.17 -0.14 0.02 0.00 0.01 -0.89 -2.37 113.70 108.16 1nqh s SER 388 Ca 0.16 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.44 1nqh s SER 388 Cb -0.10 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 1nqh s SER 388 CO 0.08 -0.44 -0.03 -0.47 0.41 0.00 0.00 173.24 172.79 1nqh s TYR 389 N -1.38 0.29 -0.06 2.43 5.04 0.11 -2.24 117.35 121.55 1nqh s TYR 389 Ca -0.14 -0.37 -0.29 0.00 -2.44 0.00 0.00 57.07 53.84 1nqh s TYR 389 Cb -0.06 -0.19 0.10 0.00 0.35 0.00 0.00 41.96 42.16 1nqh s TYR 389 CO 0.04 -0.11 0.87 0.20 -1.34 0.00 0.00 175.55 175.20 1nqh s GLY 390 N -1.04 -0.42 -0.07 8.97 0.00 -0.55 -0.80 107.32 113.41 1nqh s GLY 390 Ca -0.10 1.42 -0.02 0.00 0.00 0.00 0.00 44.72 46.02 1nqh s GLY 390 CO -0.00 0.70 0.02 -1.59 0.00 0.00 0.00 173.10 172.23 1nqh s THR 391 N -2.05 0.20 0.32 0.90 2.01 0.34 -1.70 115.64 115.67 1nqh s THR 391 Ca -0.01 0.20 0.05 0.00 0.31 0.00 0.00 61.69 62.25 1nqh s THR 391 Cb -0.01 -0.42 -0.03 0.00 0.01 0.00 0.00 72.50 72.06 1nqh s THR 391 CO -0.02 0.21 0.21 -0.94 -0.69 0.00 0.00 174.62 173.39 1nqh s SER 392 N 2.04 1.61 0.17 3.53 1.04 -0.40 -3.71 113.70 117.98 1nqh s SER 392 Ca 0.05 -1.66 -0.24 0.00 0.48 0.00 0.00 55.95 54.58 1nqh s SER 392 Cb -0.12 0.49 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1nqh s SER 392 CO -0.05 -0.98 0.83 -0.72 0.98 0.00 0.00 173.24 173.30 1nqh s TYR 393 N -3.54 -0.24 -0.04 5.02 -0.85 -1.26 -0.84 117.35 115.61 1nqh s TYR 393 Ca 0.37 -0.08 -0.02 0.00 -0.52 0.00 0.00 57.07 56.82 1nqh s TYR 393 Cb 0.03 0.64 0.03 0.00 0.38 0.00 0.00 41.96 43.04 1nqh s TYR 393 CO 0.22 -0.92 0.10 0.21 -1.52 0.00 0.00 175.55 173.64 1nqh s LYS 394 N -3.52 0.06 0.38 -3.49 2.47 -0.29 -1.81 119.74 113.54 1nqh s LYS 394 Ca 0.09 0.25 -0.23 0.00 -1.56 0.00 0.00 55.97 54.52 1nqh s LYS 394 Cb -0.03 -0.14 -0.10 0.00 -1.46 0.00 0.00 37.83 36.11 1nqh s LYS 394 CO -0.00 -0.12 0.96 0.00 0.16 0.00 0.00 175.35 176.35 1nqh s ALA 395 N 0.83 3.11 0.69 3.13 0.00 -1.26 -0.37 121.76 127.89 1nqh s ALA 395 Ca -0.07 0.49 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 1nqh s ALA 395 Cb -0.09 -3.18 0.02 0.00 0.00 0.00 0.00 23.12 19.87 1nqh s ALA 395 CO -0.03 0.09 1.19 -2.14 0.00 0.00 0.00 175.76 174.87 1nqh s PRO 396 N -2.63 2.43 0.15 0.00 0.02 -1.26 -4.96 135.00 128.75 1nqh s PRO 396 Ca 0.57 1.72 0.05 0.00 0.02 0.00 0.00 61.00 63.36 1nqh s PRO 396 Cb -0.15 -1.87 -0.04 0.00 0.02 0.00 0.00 34.50 32.46 1nqh s PRO 396 CO 0.19 -1.60 0.10 0.54 -0.33 0.00 0.00 177.00 175.91 1nqh s ASN 397 N -2.02 5.42 0.48 2.53 2.20 -1.26 -4.99 114.94 117.30 1nqh s ASN 397 Ca 0.74 -0.14 0.30 0.00 -0.94 0.00 0.00 52.86 52.82 1nqh s ASN 397 Cb -0.28 -1.39 1.39 0.00 -2.00 0.00 0.00 41.25 38.97 1nqh s ASN 397 CO 0.42 0.09 1.75 -0.07 -2.94 0.00 0.00 177.10 176.36 1nqh h LEU 398 N 2.64 0.19 -0.19 3.54 3.38 -1.89 1.06 115.31 124.04 1nqh h LEU 398 Ca -0.47 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.48 1nqh h LEU 398 Cb 1.19 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 1nqh h LEU 398 CO 0.63 0.00 -0.15 1.23 0.09 0.00 0.00 178.44 180.24 1nqh h GLY 399 N 0.15 0.48 2.00 0.83 0.00 -1.89 2.36 103.07 106.99 1nqh h GLY 399 Ca 0.64 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.47 1nqh h GLY 399 CO -0.17 0.42 -0.17 1.46 0.00 0.00 0.00 176.54 178.09 1nqh h GLN 400 N 0.11 0.00 0.00 4.80 4.20 0.75 0.86 115.11 125.83 1nqh h GLN 400 Ca 0.04 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 1nqh h GLN 400 Cb 0.67 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1nqh h GLN 400 CO 0.04 0.17 -1.34 1.28 -0.67 0.00 0.00 178.83 178.31 1nqh n LEU 401 N -3.30 1.92 -0.60 1.46 4.77 0.26 -0.60 117.00 120.90 1nqh n LEU 401 Ca 0.01 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 1nqh n LEU 401 Cb 0.41 -0.80 0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1nqh n LEU 401 CO 0.32 -0.05 0.36 -1.22 -1.33 0.00 0.00 177.39 175.47 1nqh n TYR 402 N -4.43 0.00 -0.25 -1.77 4.02 0.77 0.52 117.16 116.02 1nqh n TYR 402 Ca -0.25 -1.20 0.00 0.00 -0.01 0.00 0.00 57.90 56.44 1nqh n TYR 402 Cb 0.59 -0.21 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 1nqh n TYR 402 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqh n GLY 403 N -0.93 -0.74 0.18 2.72 0.00 0.30 -4.78 105.19 101.95 1nqh n GLY 403 Ca 0.16 -1.65 0.12 0.00 0.00 0.00 0.00 46.02 44.65 1nqh n GLY 403 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1nqh h PHE 404 N -0.18 0.00 0.00 1.61 -0.00 -1.93 -3.08 116.94 113.35 1nqh h PHE 404 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.97 57.97 1nqh h PHE 404 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1nqh h PHE 404 CO 0.00 0.00 -0.16 0.66 -0.00 0.00 0.00 178.31 178.81 1nqh n TYR 405 N -2.86 0.00 -1.18 0.41 4.02 -1.26 -4.88 117.16 111.41 1nqh n TYR 405 Ca 0.04 -0.81 -0.37 0.00 -0.01 0.00 0.00 57.90 56.75 1nqh n TYR 405 Cb 0.51 -0.14 0.04 0.00 -0.02 0.00 0.00 39.34 39.73 1nqh n TYR 405 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1nqh n GLY 406 N -1.07 -3.03 2.92 2.72 0.00 -1.17 -0.82 105.19 104.74 1nqh n GLY 406 Ca 0.13 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 1nqh n GLY 406 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nqh s ASN 407 N -1.17 0.23 0.00 1.61 3.04 0.18 -4.48 114.94 114.36 1nqh s ASN 407 Ca 0.55 -0.98 0.00 0.00 0.04 0.00 0.00 52.86 52.47 1nqh s ASN 407 Cb -0.36 1.09 0.00 0.00 -1.54 0.00 0.00 41.25 40.44 1nqh s ASN 407 CO 0.68 -0.27 0.66 -0.81 -3.04 0.00 0.00 177.10 174.32 1nqh n PRO 408 N 4.66 0.80 -0.30 0.43 -0.05 -0.76 -2.11 135.00 137.66 1nqh n PRO 408 Ca 0.08 0.00 0.07 0.00 -0.05 0.00 0.00 63.50 63.60 1nqh n PRO 408 Cb 0.49 -1.14 0.20 0.00 -0.05 0.00 0.00 33.50 33.00 1nqh n PRO 408 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 175.50 175.54 1nqh n ASN 409 N -0.29 3.35 -4.78 3.54 3.02 -1.26 -4.89 115.26 113.96 1nqh n ASN 409 Ca 0.00 -2.65 -0.36 0.00 -0.03 0.00 0.00 54.58 51.54 1nqh n ASN 409 Cb 0.07 -0.41 -0.03 0.00 -0.61 0.00 0.00 39.78 38.81 1nqh n ASN 409 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1nqh s LEU 410 N -2.16 4.05 0.78 3.41 1.43 -0.90 -5.03 118.68 120.26 1nqh s LEU 410 Ca 0.33 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.48 1nqh s LEU 410 Cb 0.25 -4.25 0.07 0.00 0.03 0.00 0.00 46.19 42.29 1nqh s LEU 410 CO 0.10 -0.72 1.13 -1.81 0.23 0.00 0.00 176.35 175.28 1nqh s ASP 411 N -1.51 4.62 1.10 2.29 1.01 -1.26 -4.73 116.67 118.19 1nqh s ASP 411 Ca 0.61 0.69 -0.18 0.00 0.71 0.00 0.00 52.55 54.39 1nqh s ASP 411 Cb -0.24 -1.24 0.25 0.00 1.01 0.00 0.00 42.92 42.69 1nqh s ASP 411 CO 0.30 -1.80 1.20 -2.84 0.21 0.00 0.00 175.17 172.24 1nqh s PRO 412 N -5.47 -0.40 -0.15 8.23 0.02 -1.26 -4.70 135.00 131.26 1nqh s PRO 412 Ca 0.61 -0.20 -0.07 0.00 0.02 0.00 0.00 61.00 61.37 1nqh s PRO 412 Cb -0.11 -1.70 -0.04 0.00 0.02 0.00 0.00 34.50 32.67 1nqh s PRO 412 CO 0.48 -3.15 0.09 -1.21 -0.33 0.00 0.00 177.00 172.88 1nqh s GLU 413 N -5.60 3.64 -0.20 5.54 2.02 0.50 -4.82 118.70 119.79 1nqh s GLU 413 Ca 0.72 -0.26 -0.07 0.00 0.02 0.00 0.00 54.97 55.38 1nqh s GLU 413 Cb -0.07 -3.16 -0.04 0.00 0.10 0.00 0.00 34.13 30.96 1nqh s GLU 413 CO 0.55 0.53 0.06 0.15 0.02 0.00 0.00 175.26 176.58 1nqh s LYS 414 N -0.35 3.88 -0.01 1.61 1.02 0.14 -1.14 119.74 124.89 1nqh s LYS 414 Ca 0.10 -0.39 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1nqh s LYS 414 Cb -0.12 -3.24 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 1nqh s LYS 414 CO 0.01 0.14 0.02 0.45 -0.92 0.00 0.00 175.35 175.05 1nqh s SER 415 N 0.74 5.24 0.04 2.83 0.15 -0.02 -0.95 113.70 121.73 1nqh s SER 415 Ca 0.03 0.03 0.09 0.00 0.70 0.00 0.00 55.95 56.80 1nqh s SER 415 Cb -0.13 -1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 62.75 1nqh s SER 415 CO 0.02 0.28 -0.26 -0.54 1.20 0.00 0.00 173.24 173.94 1nqh s LYS 416 N -1.57 1.80 -0.01 5.44 1.02 -0.52 -1.28 119.74 124.62 1nqh s LYS 416 Ca 0.20 -1.07 0.00 0.00 0.02 0.00 0.00 55.97 55.12 1nqh s LYS 416 Cb -0.12 -1.94 0.01 0.00 -0.52 0.00 0.00 37.83 35.26 1nqh s LYS 416 CO 0.11 0.50 -0.00 -0.65 -0.92 0.00 0.00 175.35 174.39 1nqh s GLN 417 N -1.15 0.12 0.18 1.68 -0.21 -0.69 -0.36 119.66 119.23 1nqh s GLN 417 Ca 0.11 0.01 0.11 0.00 0.02 0.00 0.00 55.36 55.61 1nqh s GLN 417 Cb -0.10 -0.19 -0.04 0.00 1.00 0.00 0.00 33.01 33.68 1nqh s GLN 417 CO 0.02 -0.03 -0.24 -1.58 -2.12 0.00 0.00 175.29 171.35 1nqh s TRP 418 N 0.30 2.33 0.01 0.91 0.51 -0.03 -1.49 118.94 121.48 1nqh s TRP 418 Ca -0.03 -0.35 -0.20 0.00 -2.12 0.00 0.00 56.10 53.41 1nqh s TRP 418 Cb -0.04 -1.17 0.04 0.00 -0.81 0.00 0.00 33.47 31.48 1nqh s TRP 418 CO -0.01 0.47 0.43 -2.00 -0.51 0.00 0.00 176.95 175.34 1nqh s GLU 419 N -2.57 0.87 -0.07 4.98 2.12 -0.95 -1.73 118.70 121.34 1nqh s GLU 419 Ca 0.20 -0.18 -0.05 0.00 0.36 0.00 0.00 54.97 55.29 1nqh s GLU 419 Cb -0.08 0.39 0.03 0.00 0.26 0.00 0.00 34.13 34.72 1nqh s GLU 419 CO 0.10 -0.28 0.18 0.20 -0.54 0.00 0.00 175.26 174.92 1nqh s GLY 420 N -1.62 -0.12 -0.03 -1.50 0.00 -0.46 -2.10 107.32 101.49 1nqh s GLY 420 Ca -0.09 0.60 -0.07 0.00 0.00 0.00 0.00 44.72 45.16 1nqh s GLY 420 CO 0.02 0.65 0.16 0.00 0.00 0.00 0.00 173.10 173.93 1nqh s ALA 421 N 0.45 -0.38 -0.03 3.20 0.00 0.09 0.12 121.76 125.21 1nqh s ALA 421 Ca -0.03 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1nqh s ALA 421 Cb -0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1nqh s ALA 421 CO -0.02 -0.15 0.02 -0.06 0.00 0.00 0.00 175.76 175.55 1nqh s PHE 422 N -0.68 3.16 -0.01 0.00 0.40 -0.16 -1.10 117.98 119.58 1nqh s PHE 422 Ca -0.08 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1nqh s PHE 422 Cb -0.05 -1.72 0.01 0.00 0.51 0.00 0.00 43.02 41.77 1nqh s PHE 422 CO 0.01 0.49 -0.03 -2.00 0.70 0.00 0.00 175.22 174.39 1nqh s GLU 423 N -1.39 0.31 -0.02 0.44 2.12 0.60 -1.57 118.70 119.19 1nqh s GLU 423 Ca 0.18 -0.07 -0.19 0.00 0.36 0.00 0.00 54.97 55.25 1nqh s GLU 423 Cb -0.12 -0.35 0.04 0.00 0.26 0.00 0.00 34.13 33.96 1nqh s GLU 423 CO 0.09 0.01 0.41 0.20 -0.54 0.00 0.00 175.26 175.43 1nqh s GLY 424 N 0.25 -0.27 -0.21 -1.50 0.00 -1.07 0.21 107.32 104.73 1nqh s GLY 424 Ca -0.02 0.57 -0.10 0.00 0.00 0.00 0.00 44.72 45.16 1nqh s GLY 424 CO -0.01 0.31 0.15 -2.27 0.00 0.00 0.00 173.10 171.29 1nqh s LEU 425 N -1.37 4.19 -0.10 0.66 0.20 0.04 -1.99 118.68 120.30 1nqh s LEU 425 Ca -0.12 0.22 -0.05 0.00 0.69 0.00 0.00 54.13 54.87 1nqh s LEU 425 Cb -0.03 -2.12 0.05 0.00 -0.43 0.00 0.00 46.19 43.66 1nqh s LEU 425 CO 0.05 0.15 0.23 0.42 -0.29 0.00 0.00 176.35 176.90 1nqh s THR 426 N 0.54 -0.11 -0.99 3.68 -4.23 0.11 -4.85 115.64 109.79 1nqh s THR 426 Ca 0.09 0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1nqh s THR 426 Cb -0.12 -0.36 0.00 0.00 1.34 0.00 0.00 72.50 73.36 1nqh s THR 426 CO -0.00 0.08 0.03 0.00 -0.54 0.00 0.00 174.62 174.19 1nqh n ALA 427 N 4.47 -1.69 0.00 3.99 0.00 -1.26 0.45 120.51 126.47 1nqh n ALA 427 Ca -0.21 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1nqh n ALA 427 Cb 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1nqh n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqh n GLY 428 N -2.01 2.07 3.64 0.00 0.00 -1.26 -5.02 105.19 102.61 1nqh n GLY 428 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 1nqh n GLY 428 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqh s VAL 429 N -2.44 5.01 -0.40 1.61 1.01 0.17 -4.54 120.40 120.82 1nqh s VAL 429 Ca 0.00 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 1nqh s VAL 429 Cb 0.00 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1nqh s VAL 429 CO 0.00 0.41 0.58 0.20 0.00 0.00 0.00 175.10 176.29 1nqh s ASN 430 N 0.69 6.32 0.20 3.32 0.01 -0.77 0.09 114.94 124.80 1nqh s ASN 430 Ca 0.05 -0.23 0.07 0.00 -0.71 0.00 0.00 52.86 52.04 1nqh s ASN 430 Cb -0.13 -2.29 -0.05 0.00 0.41 0.00 0.00 41.25 39.19 1nqh s ASN 430 CO 0.01 -0.64 -0.12 -1.66 -1.51 0.00 0.00 177.10 173.18 1nqh s TRP 431 N 2.60 1.62 0.06 2.20 1.48 -0.84 -0.28 118.94 125.77 1nqh s TRP 431 Ca 0.20 -0.64 -0.13 0.00 -1.06 0.00 0.00 56.10 54.47 1nqh s TRP 431 Cb -0.15 -0.79 0.02 0.00 -1.16 0.00 0.00 33.47 31.39 1nqh s TRP 431 CO 0.16 0.27 0.30 0.50 -4.06 0.00 0.00 176.95 174.11 1nqh s ARG 432 N -3.69 0.84 -0.03 3.25 3.52 0.26 -2.61 118.95 120.50 1nqh s ARG 432 Ca 0.22 -0.60 -0.20 0.00 -0.13 0.00 0.00 55.73 55.02 1nqh s ARG 432 Cb 0.01 0.36 0.04 0.00 -1.56 0.00 0.00 34.95 33.80 1nqh s ARG 432 CO 0.06 -0.28 0.44 -1.50 -0.81 0.00 0.00 175.30 173.21 1nqh s ILE 433 N -2.91 0.04 -0.27 4.11 2.07 -0.61 -0.13 121.20 123.49 1nqh s ILE 433 Ca -0.02 -0.30 -0.25 0.00 -1.41 0.00 0.00 60.65 58.67 1nqh s ILE 433 Cb 0.00 -0.74 0.09 0.00 0.13 0.00 0.00 42.46 41.94 1nqh s ILE 433 CO -0.06 -0.17 0.82 -0.55 -1.91 0.00 0.00 174.94 173.07 1nqh s SER 434 N -1.23 -0.66 -0.07 4.50 0.15 0.26 -0.99 113.70 115.65 1nqh s SER 434 Ca -0.12 1.27 0.04 0.00 0.70 0.00 0.00 55.95 57.84 1nqh s SER 434 Cb -0.03 1.29 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1nqh s SER 434 CO 0.06 -0.22 -0.20 -0.83 1.20 0.00 0.00 173.24 173.26 1nqh s GLY 435 N 0.38 1.10 -0.00 9.45 0.00 0.12 -0.20 107.32 118.17 1nqh s GLY 435 Ca 0.01 -0.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.95 1nqh s GLY 435 CO -0.02 -0.24 0.02 -2.52 0.00 0.00 0.00 173.10 170.33 1nqh s TYR 436 N 0.32 0.04 -0.23 1.90 1.13 0.04 -1.35 117.35 119.19 1nqh s TYR 436 Ca -0.13 -0.07 -0.12 0.00 -1.41 0.00 0.00 57.07 55.34 1nqh s TYR 436 Cb -0.16 -0.03 -0.05 0.00 -1.10 0.00 0.00 41.96 40.62 1nqh s TYR 436 CO 0.06 -0.06 0.21 0.50 -2.51 0.00 0.00 175.55 173.75 1nqh s ARG 437 N -0.34 4.10 -0.21 -3.49 3.52 -0.71 0.48 118.95 122.30 1nqh s ARG 437 Ca -0.04 -0.17 0.01 0.00 -0.13 0.00 0.00 55.73 55.41 1nqh s ARG 437 Cb -0.02 -3.54 0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1nqh s ARG 437 CO -0.00 0.05 -0.11 1.21 -0.81 0.00 0.00 175.30 175.64 1nqh s ASN 438 N 1.03 3.65 -0.41 -2.12 3.84 0.04 -0.85 114.94 120.13 1nqh s ASN 438 Ca 0.10 -1.01 -0.22 0.00 0.21 0.00 0.00 52.86 51.94 1nqh s ASN 438 Cb -0.14 -1.32 0.02 0.00 -0.55 0.00 0.00 41.25 39.26 1nqh s ASN 438 CO 0.05 -0.15 0.71 -1.81 -2.79 0.00 0.00 177.10 173.10 1nqh s ASP 439 N 1.32 6.42 0.13 -4.21 -0.00 0.52 -0.15 116.67 120.70 1nqh s ASP 439 Ca -0.03 -0.02 0.02 0.00 -0.00 0.00 0.00 52.55 52.53 1nqh s ASP 439 Cb -0.17 -2.35 -0.04 0.00 -0.00 0.00 0.00 42.92 40.36 1nqh s ASP 439 CO -0.08 -0.76 0.23 -0.69 -0.00 0.00 0.00 175.17 173.88 1nqh s VAL 440 N 2.98 5.15 0.02 -1.27 1.01 0.45 -1.44 120.40 127.29 1nqh s VAL 440 Ca 0.27 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.26 1nqh s VAL 440 Cb -0.13 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1nqh s VAL 440 CO 0.19 -0.04 0.84 -0.94 0.00 0.00 0.00 175.10 175.15 1nqh s SER 441 N -3.03 -0.40 -1.48 3.32 1.04 -0.12 -0.83 113.70 112.19 1nqh s SER 441 Ca 0.34 -0.00 -0.01 0.00 0.48 0.00 0.00 55.95 56.75 1nqh s SER 441 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1nqh s SER 441 CO 0.27 -0.68 0.17 0.47 0.98 0.00 0.00 173.24 174.45 1nqh n ASP 442 N -0.27 -5.34 -4.66 7.02 10.43 -1.08 0.26 116.55 122.91 1nqh n ASP 442 Ca -0.10 -0.09 -0.45 0.00 2.57 0.00 0.00 54.79 56.72 1nqh n ASP 442 Cb 0.62 -4.33 -0.03 0.00 1.84 0.00 0.00 41.12 39.22 1nqh n ASP 442 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1nqh n LEU 443 N -2.88 2.89 -4.64 0.64 4.77 -0.26 -4.24 117.00 113.28 1nqh n LEU 443 Ca -0.18 1.14 -0.43 0.00 -0.03 0.00 0.00 56.01 56.51 1nqh n LEU 443 Cb 0.64 -1.40 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 1nqh n LEU 443 CO 0.30 -0.58 0.99 -0.63 -1.33 0.00 0.00 177.39 176.14 1nqh s ILE 444 N 0.01 4.46 -0.22 -0.08 1.01 -1.26 0.49 121.20 125.62 1nqh s ILE 444 Ca 0.70 1.70 -0.04 0.00 0.00 0.00 0.00 60.65 63.02 1nqh s ILE 444 Cb -0.68 -4.33 0.11 0.00 0.01 0.00 0.00 42.46 37.57 1nqh s ILE 444 CO 0.49 -0.41 0.27 -1.81 0.00 0.00 0.00 174.94 173.48 1nqh s ASP 445 N 1.78 1.06 0.31 3.58 1.01 -0.26 -4.97 116.67 119.18 1nqh s ASP 445 Ca 0.48 -0.11 -0.29 0.00 0.71 0.00 0.00 52.55 53.34 1nqh s ASP 445 Cb -0.14 0.59 -0.11 0.00 1.01 0.00 0.00 42.92 44.28 1nqh s ASP 445 CO 0.15 -0.32 1.43 -0.47 0.21 0.00 0.00 175.17 176.17 1nqh s TYR 446 N 2.39 2.87 -0.28 4.23 6.14 -1.26 -2.13 117.35 129.31 1nqh s TYR 446 Ca 0.09 1.15 -0.10 0.00 0.64 0.00 0.00 57.07 58.85 1nqh s TYR 446 Cb -0.16 -3.86 -0.03 0.00 0.42 0.00 0.00 41.96 38.33 1nqh s TYR 446 CO -0.14 -2.62 0.15 0.16 0.64 0.00 0.00 175.55 173.74 1nqh s ASP 447 N -0.02 5.67 0.11 4.32 -4.77 -0.27 -4.90 116.67 116.80 1nqh s ASP 447 Ca 0.55 -0.21 -0.28 0.00 -3.30 0.00 0.00 52.55 49.31 1nqh s ASP 447 Cb -0.43 -2.04 -0.08 0.00 -1.09 0.00 0.00 42.92 39.27 1nqh s ASP 447 CO 0.52 -0.09 1.62 -2.24 0.70 0.00 0.00 175.17 175.68 1nqh h ASP 448 N 8.34 -0.90 0.00 2.11 3.04 -1.96 0.95 116.42 127.99 1nqh h ASP 448 Ca -0.35 0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.54 1nqh h ASP 448 Cb 1.17 0.34 0.00 0.00 -1.04 0.00 0.00 39.33 39.81 1nqh h ASP 448 CO 0.58 -0.40 0.00 1.41 -2.04 0.00 0.00 179.24 178.79 1nqh n HIS 449 N -5.41 0.00 -1.93 4.15 8.25 -1.26 -2.82 115.22 116.20 1nqh n HIS 449 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1nqh n HIS 449 Cb 0.33 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.44 1nqh n HIS 449 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1nqh n THR 450 N 0.00 0.00 -2.44 1.59 -2.24 0.15 -5.01 114.28 106.32 1nqh n THR 450 Ca 0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1nqh n THR 450 Cb 0.00 0.48 -0.01 0.00 -2.10 0.00 0.00 70.33 68.70 1nqh n THR 450 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1nqh n LEU 451 N 0.00 -1.90 -4.23 3.22 4.32 0.31 -4.93 117.00 113.79 1nqh n LEU 451 Ca 0.00 -0.01 -0.18 0.00 -0.02 0.00 0.00 56.01 55.80 1nqh n LEU 451 Cb 0.66 -2.86 -0.11 0.00 -1.62 0.00 0.00 43.42 39.49 1nqh n LEU 451 CO 0.00 -0.18 -0.45 -0.75 -1.22 0.00 0.00 177.39 174.79 1nqh s LYS 452 N -5.09 0.99 0.43 3.23 2.20 -1.25 -4.08 119.74 116.17 1nqh s LYS 452 Ca 0.02 -1.20 -0.11 0.00 -0.36 0.00 0.00 55.97 54.31 1nqh s LYS 452 Cb -0.01 -0.86 -0.06 0.00 -1.51 0.00 0.00 37.83 35.39 1nqh s LYS 452 CO 0.02 0.17 0.81 0.71 -0.36 0.00 0.00 175.35 176.70 1nqh s TYR 453 N -2.08 3.48 0.14 4.03 2.02 -0.00 -1.11 117.35 123.83 1nqh s TYR 453 Ca 0.07 1.10 -0.00 0.00 -0.37 0.00 0.00 57.07 57.87 1nqh s TYR 453 Cb -0.05 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.97 1nqh s TYR 453 CO 0.03 -0.18 0.05 0.71 -1.57 0.00 0.00 175.55 174.58 1nqh s TYR 454 N -2.47 0.96 -0.54 2.71 1.51 -0.90 -4.73 117.35 113.89 1nqh s TYR 454 Ca 0.52 -1.19 -0.28 0.00 -1.01 0.00 0.00 57.07 55.11 1nqh s TYR 454 Cb -0.10 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.24 1nqh s TYR 454 CO 0.33 -0.45 1.16 -0.80 -1.11 0.00 0.00 175.55 174.68 1nqh s ASN 455 N -3.08 6.51 0.00 2.29 0.01 -1.26 -1.10 114.94 118.31 1nqh s ASN 455 Ca 0.24 0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.62 1nqh s ASN 455 Cb 0.07 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.19 1nqh s ASN 455 CO 0.03 -1.38 0.00 -1.84 -1.51 0.00 0.00 177.10 172.39 1nqh n GLU 456 N 8.17 4.72 -4.12 -0.60 0.28 0.18 -4.83 120.64 124.44 1nqh n GLU 456 Ca 0.10 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.87 1nqh n GLU 456 Cb 0.49 -0.41 -0.05 0.00 1.43 0.00 0.00 31.44 32.90 1nqh n GLU 456 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 1nqh s GLY 457 N -0.04 1.48 -0.01 -1.84 0.00 -0.80 -4.72 107.32 101.39 1nqh s GLY 457 Ca 0.00 -1.40 0.06 0.00 0.00 0.00 0.00 44.72 43.38 1nqh s GLY 457 CO 0.00 -1.43 -0.18 0.54 0.00 0.00 0.00 173.10 172.03 1nqh s LYS 458 N -3.69 1.45 0.10 2.90 1.02 -1.26 -1.10 119.74 119.15 1nqh s LYS 458 Ca 0.32 -0.68 0.09 0.00 0.02 0.00 0.00 55.97 55.72 1nqh s LYS 458 Cb -0.08 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1nqh s LYS 458 CO 0.24 0.38 -0.24 0.00 -0.92 0.00 0.00 175.35 174.82 1nqh s ALA 459 N -0.48 2.05 0.00 5.17 0.00 -0.01 -0.88 121.76 127.61 1nqh s ALA 459 Ca 0.07 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.76 1nqh s ALA 459 Cb -0.07 -0.33 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1nqh s ALA 459 CO -0.00 0.45 -0.13 0.50 0.00 0.00 0.00 175.76 176.57 1nqh s ARG 460 N -1.83 2.37 -0.02 0.00 3.52 -0.45 -0.41 118.95 122.13 1nqh s ARG 460 Ca 0.10 -0.81 0.01 0.00 -0.13 0.00 0.00 55.73 54.91 1nqh s ARG 460 Cb -0.10 -2.36 0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1nqh s ARG 460 CO 0.04 0.59 -0.05 0.42 -0.81 0.00 0.00 175.30 175.49 1nqh s ILE 461 N -0.90 0.47 -0.20 4.11 1.01 0.79 -1.63 121.20 124.84 1nqh s ILE 461 Ca 0.15 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.63 1nqh s ILE 461 Cb -0.11 -0.46 0.05 0.00 0.01 0.00 0.00 42.46 41.96 1nqh s ILE 461 CO 0.05 0.18 -0.05 -0.54 0.00 0.00 0.00 174.94 174.57 1nqh s LYS 462 N 0.44 1.51 0.15 2.79 1.02 -0.97 -0.78 119.74 123.91 1nqh s LYS 462 Ca -0.05 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1nqh s LYS 462 Cb -0.09 -2.31 -0.05 0.00 -0.52 0.00 0.00 37.83 34.87 1nqh s LYS 462 CO -0.00 -0.52 -0.08 0.20 -0.92 0.00 0.00 175.35 174.03 1nqh s GLY 463 N 1.53 1.11 -0.02 -3.33 0.00 0.18 -0.80 107.32 105.99 1nqh s GLY 463 Ca -0.02 -1.52 0.03 0.00 0.00 0.00 0.00 44.72 43.21 1nqh s GLY 463 CO -0.07 -1.58 -0.11 0.14 0.00 0.00 0.00 173.10 171.48 1nqh s VAL 464 N -3.40 0.87 -0.06 1.40 1.01 0.06 -0.78 120.40 119.50 1nqh s VAL 464 Ca 0.18 -0.45 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1nqh s VAL 464 Cb 0.04 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.70 1nqh s VAL 464 CO 0.01 0.26 0.01 -0.70 0.00 0.00 0.00 175.10 174.68 1nqh s GLU 465 N -0.08 0.42 -0.05 2.72 2.12 0.73 -2.30 118.70 122.25 1nqh s GLU 465 Ca 0.01 0.16 0.03 0.00 0.36 0.00 0.00 54.97 55.53 1nqh s GLU 465 Cb -0.06 -0.80 0.01 0.00 0.26 0.00 0.00 34.13 33.53 1nqh s GLU 465 CO 0.00 -0.28 -0.12 0.00 -0.54 0.00 0.00 175.26 174.32 1nqh s ALA 466 N 1.88 1.20 0.10 6.30 0.00 -0.80 -0.57 121.76 129.86 1nqh s ALA 466 Ca 0.03 -0.44 -0.00 0.00 0.00 0.00 0.00 51.96 51.55 1nqh s ALA 466 Cb -0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1nqh s ALA 466 CO -0.04 0.15 -0.00 0.95 0.00 0.00 0.00 175.76 176.82 1nqh s THR 467 N 0.42 0.33 -0.04 0.00 -4.23 0.81 -1.03 115.64 111.91 1nqh s THR 467 Ca -0.09 -1.89 -0.22 0.00 -1.18 0.00 0.00 61.69 58.31 1nqh s THR 467 Cb -0.13 -1.80 0.05 0.00 1.34 0.00 0.00 72.50 71.96 1nqh s THR 467 CO 0.02 -0.73 0.48 0.00 -0.54 0.00 0.00 174.62 173.85 1nqh s ALA 468 N -3.87 -1.25 0.02 3.99 0.00 -0.36 -0.57 121.76 119.72 1nqh s ALA 468 Ca 0.16 0.83 0.02 0.00 0.00 0.00 0.00 51.96 52.96 1nqh s ALA 468 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1nqh s ALA 468 CO -0.03 -0.31 -0.06 0.54 0.00 0.00 0.00 175.76 175.90 1nqh s ASN 469 N -1.17 0.62 0.15 0.00 2.20 0.61 -2.36 114.94 114.98 1nqh s ASN 469 Ca -0.12 -0.36 -0.24 0.00 -0.94 0.00 0.00 52.86 51.21 1nqh s ASN 469 Cb -0.03 0.01 0.07 0.00 -2.00 0.00 0.00 41.25 39.30 1nqh s ASN 469 CO 0.07 -0.12 0.71 0.72 -2.94 0.00 0.00 177.10 175.54 1nqh s PHE 470 N -0.89 -0.40 0.13 1.54 -0.12 -0.48 -1.85 117.98 115.90 1nqh s PHE 470 Ca -0.06 0.15 0.02 0.00 -0.05 0.00 0.00 56.93 56.99 1nqh s PHE 470 Cb -0.07 0.59 -0.04 0.00 -0.63 0.00 0.00 43.02 42.88 1nqh s PHE 470 CO -0.00 -0.86 0.23 -0.51 -0.05 0.00 0.00 175.22 174.03 1nqh s ASP 471 N -2.74 6.17 0.03 1.98 1.01 -1.26 -0.52 116.67 121.34 1nqh s ASP 471 Ca 0.05 0.13 0.00 0.00 0.71 0.00 0.00 52.55 53.44 1nqh s ASP 471 Cb -0.02 -1.82 0.00 0.00 1.01 0.00 0.00 42.92 42.09 1nqh s ASP 471 CO -0.07 0.08 0.00 0.35 0.21 0.00 0.00 175.17 175.74 1nqh n THR 472 N -0.29 0.25 0.00 -1.27 -2.24 0.11 -4.99 114.28 105.85 1nqh n THR 472 Ca -0.07 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1nqh n THR 472 Cb 0.53 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 1nqh n THR 472 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqh n GLY 473 N 3.11 0.85 0.08 3.38 0.00 -1.26 -4.63 105.19 106.72 1nqh n GLY 473 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1nqh n GLY 473 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqh n PRO 474 N 0.00 0.99 -2.55 1.61 -0.04 -1.26 -4.92 135.00 128.83 1nqh n PRO 474 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 1nqh n PRO 474 Cb 0.00 -1.08 -0.02 0.00 -0.04 0.00 0.00 33.50 32.35 1nqh n PRO 474 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqh s LEU 475 N -0.83 4.23 -0.09 1.53 1.43 -1.26 -4.06 118.68 119.63 1nqh s LEU 475 Ca 0.00 1.65 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 1nqh s LEU 475 Cb 0.00 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.64 1nqh s LEU 475 CO 0.00 -0.58 -0.03 -0.89 0.23 0.00 0.00 176.35 175.08 1nqh s THR 476 N 2.47 4.03 -0.17 5.49 2.01 -0.07 0.07 115.64 129.48 1nqh s THR 476 Ca 0.52 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.18 1nqh s THR 476 Cb -0.21 -2.69 0.01 0.00 0.01 0.00 0.00 72.50 69.62 1nqh s THR 476 CO 0.18 0.58 -0.19 -1.00 -0.69 0.00 0.00 174.62 173.49 1nqh s HIS 477 N -0.60 2.76 -0.14 4.92 3.76 0.32 -1.17 115.29 125.13 1nqh s HIS 477 Ca 0.09 -1.48 -0.01 0.00 -0.15 0.00 0.00 55.06 53.51 1nqh s HIS 477 Cb -0.12 -1.90 0.04 0.00 1.11 0.00 0.00 32.58 31.72 1nqh s HIS 477 CO 0.02 -0.72 -0.01 0.99 -0.85 0.00 0.00 174.74 174.17 1nqh s THR 478 N 1.13 0.73 -0.01 1.30 2.01 -0.96 -1.39 115.64 118.44 1nqh s THR 478 Ca 0.01 -0.37 0.03 0.00 0.31 0.00 0.00 61.69 61.67 1nqh s THR 478 Cb -0.14 -0.98 -0.01 0.00 0.01 0.00 0.00 72.50 71.38 1nqh s THR 478 CO -0.08 0.08 -0.11 0.54 -0.69 0.00 0.00 174.62 174.36 1nqh s VAL 479 N 1.80 0.90 0.15 3.82 0.11 -1.00 0.36 120.40 126.55 1nqh s VAL 479 Ca 0.02 -0.48 0.03 0.00 -2.93 0.00 0.00 61.98 58.61 1nqh s VAL 479 Cb -0.15 -0.76 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 1nqh s VAL 479 CO -0.07 0.26 -0.04 -0.94 -3.33 0.00 0.00 175.10 170.98 1nqh s SER 480 N -0.21 1.39 0.10 3.54 1.04 0.14 -1.22 113.70 118.47 1nqh s SER 480 Ca 0.03 -1.10 0.10 0.00 0.48 0.00 0.00 55.95 55.47 1nqh s SER 480 Cb -0.05 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.11 1nqh s SER 480 CO -0.00 -0.48 -0.26 -0.47 0.98 0.00 0.00 173.24 173.01 1nqh s TYR 481 N -3.55 2.21 -0.03 5.02 5.04 -0.20 -1.61 117.35 124.23 1nqh s TYR 481 Ca 0.20 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.44 1nqh s TYR 481 Cb 0.05 -1.23 0.02 0.00 0.35 0.00 0.00 41.96 41.15 1nqh s TYR 481 CO 0.01 0.26 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.96 1nqh s ASP 482 N -1.81 0.50 -0.16 4.32 1.01 -0.40 -1.90 116.67 118.23 1nqh s ASP 482 Ca 0.12 -0.05 0.01 0.00 0.71 0.00 0.00 52.55 53.34 1nqh s ASP 482 Cb -0.10 -0.26 0.02 0.00 1.01 0.00 0.00 42.92 43.60 1nqh s ASP 482 CO 0.05 -0.08 -0.15 -0.47 0.21 0.00 0.00 175.17 174.73 1nqh s TYR 483 N 0.94 2.30 -0.28 4.23 5.04 -0.97 -1.24 117.35 127.37 1nqh s TYR 483 Ca -0.10 -1.34 0.01 0.00 -2.44 0.00 0.00 57.07 53.20 1nqh s TYR 483 Cb -0.13 -1.66 0.06 0.00 0.35 0.00 0.00 41.96 40.58 1nqh s TYR 483 CO -0.01 -0.70 -0.07 0.08 -1.34 0.00 0.00 175.55 173.51 1nqh s VAL 484 N 1.44 2.48 -0.70 3.14 1.01 0.42 -0.76 120.40 127.44 1nqh s VAL 484 Ca 0.04 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 1nqh s VAL 484 Cb -0.13 -2.45 0.13 0.00 0.00 0.00 0.00 36.38 33.92 1nqh s VAL 484 CO -0.11 -0.07 0.81 -0.62 0.00 0.00 0.00 175.10 175.12 1nqh s ASP 485 N 1.16 6.36 -0.48 3.32 2.15 0.02 -4.06 116.67 125.15 1nqh s ASP 485 Ca -0.07 -1.73 -0.06 0.00 0.43 0.00 0.00 52.55 51.11 1nqh s ASP 485 Cb -0.20 -2.31 0.12 0.00 -0.30 0.00 0.00 42.92 40.23 1nqh s ASP 485 CO -0.04 -1.04 0.31 0.00 -0.17 0.00 0.00 175.17 174.24 1nqh s ALA 486 N 2.37 3.34 0.29 3.66 0.00 -1.26 -2.28 121.76 127.88 1nqh s ALA 486 Ca 0.17 -2.65 0.10 0.00 0.00 0.00 0.00 51.96 49.58 1nqh s ALA 486 Cb -0.18 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 1nqh s ALA 486 CO 0.01 -1.90 -0.02 1.03 0.00 0.00 0.00 175.76 174.87 1nqh s ARG 487 N 1.06 2.14 -0.23 0.00 0.52 -0.65 -0.08 118.95 121.72 1nqh s ARG 487 Ca 0.08 -1.57 -0.29 0.00 -0.52 0.00 0.00 55.73 53.44 1nqh s ARG 487 Cb -0.24 -2.04 -0.03 0.00 0.52 0.00 0.00 34.95 33.17 1nqh s ARG 487 CO -0.03 0.29 1.68 1.21 0.02 0.00 0.00 175.30 178.47 1nqh s ASN 488 N -3.67 6.27 0.47 0.23 3.84 -0.55 -1.34 114.94 120.19 1nqh s ASN 488 Ca 0.32 1.61 0.15 0.00 0.21 0.00 0.00 52.86 55.15 1nqh s ASN 488 Cb -0.04 -2.53 1.10 0.00 -0.55 0.00 0.00 41.25 39.23 1nqh s ASN 488 CO 0.19 -1.35 2.06 0.00 -2.79 0.00 0.00 177.10 175.21 1nqh h ALA 489 N 11.23 1.82 0.10 1.71 0.00 -1.32 2.23 119.26 135.04 1nqh h ALA 489 Ca -0.35 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.29 1nqh h ALA 489 Cb 1.16 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1nqh h ALA 489 CO 1.00 0.14 -0.84 0.82 0.00 0.00 0.00 179.25 180.37 1nqh h ILE 490 N 0.02 1.42 0.00 0.00 1.08 -1.90 -3.35 117.51 114.78 1nqh h ILE 490 Ca 0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1nqh h ILE 490 Cb 0.18 3.07 0.00 0.00 -3.07 0.00 0.00 36.82 37.00 1nqh h ILE 490 CO 0.01 0.67 -1.34 1.07 -0.69 0.00 0.00 178.15 177.87 1nqh n THR 491 N -4.18 0.00 -2.59 -0.27 5.66 -1.17 -4.99 114.28 106.75 1nqh n THR 491 Ca -0.17 -0.23 -0.20 0.00 -3.05 0.00 0.00 64.05 60.40 1nqh n THR 491 Cb 0.77 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 70.12 1nqh n THR 491 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1nqh n ASP 492 N -1.78 -5.57 -4.79 1.09 4.64 0.75 -4.98 116.55 105.92 1nqh n ASP 492 Ca 0.00 -0.06 -0.32 0.00 -1.38 0.00 0.00 54.79 53.03 1nqh n ASP 492 Cb 0.39 -4.61 -0.07 0.00 -1.04 0.00 0.00 41.12 35.79 1nqh n ASP 492 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1nqh s THR 493 N -3.00 4.72 0.20 5.18 -1.32 -1.19 -4.81 115.64 115.41 1nqh s THR 493 Ca 0.09 -0.50 -0.31 0.00 -1.21 0.00 0.00 61.69 59.76 1nqh s THR 493 Cb -0.04 -3.20 -0.16 0.00 -1.51 0.00 0.00 72.50 67.60 1nqh s THR 493 CO 0.11 0.28 0.96 -2.65 -2.21 0.00 0.00 174.62 171.11 1nqh n PRO 494 N 0.95 0.85 0.00 7.08 -0.02 -1.26 -1.49 135.00 141.11 1nqh n PRO 494 Ca -0.11 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 1nqh n PRO 494 Cb 0.52 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.36 1nqh n PRO 494 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1nqh n LEU 495 N 1.75 0.00 -4.28 2.45 4.77 0.89 -4.74 117.00 117.84 1nqh n LEU 495 Ca 0.15 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.86 1nqh n LEU 495 Cb 0.25 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1nqh n LEU 495 CO 0.60 -0.71 -0.53 -0.76 -1.33 0.00 0.00 177.39 174.65 1nqh s LEU 496 N 0.00 2.18 -0.28 2.23 1.02 -1.26 -4.67 118.68 117.90 1nqh s LEU 496 Ca 0.00 -0.56 0.00 0.00 0.02 0.00 0.00 54.13 53.59 1nqh s LEU 496 Cb 0.00 -1.03 0.00 0.00 0.02 0.00 0.00 46.19 45.18 1nqh s LEU 496 CO 0.00 0.17 0.00 0.54 0.02 0.00 0.00 176.35 177.08 1nqh n ARG 497 N 1.73 -0.19 -4.87 1.70 1.74 0.33 -4.97 116.66 112.11 1nqh n ARG 497 Ca -0.17 0.53 -0.26 0.00 -0.77 0.00 0.00 57.85 57.17 1nqh n ARG 497 Cb 0.53 -4.15 -0.16 0.00 -1.02 0.00 0.00 32.46 27.67 1nqh n ARG 497 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1nqh s ARG 498 N -2.52 1.59 -0.37 5.56 3.00 -1.26 -4.94 118.95 120.01 1nqh s ARG 498 Ca 0.00 -0.64 -0.27 0.00 0.00 0.00 0.00 55.73 54.81 1nqh s ARG 498 Cb 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 34.95 33.48 1nqh s ARG 498 CO 0.00 0.35 1.02 0.00 0.00 0.00 0.00 175.30 176.66 1nqh s ALA 499 N -0.28 3.40 0.34 2.13 0.00 -1.26 -4.51 121.76 121.58 1nqh s ALA 499 Ca 0.04 -0.31 0.14 0.00 0.00 0.00 0.00 51.96 51.82 1nqh s ALA 499 Cb -0.09 -3.65 1.10 0.00 0.00 0.00 0.00 23.12 20.48 1nqh s ALA 499 CO 0.00 -1.67 1.63 -0.22 0.00 0.00 0.00 175.76 175.50 1nqh h LYS 500 N 8.47 0.20 -4.09 0.00 3.64 -1.72 -3.40 116.57 119.66 1nqh h LYS 500 Ca -0.22 -0.01 -0.41 0.00 -1.27 0.00 0.00 60.65 58.74 1nqh h LYS 500 Cb 1.07 -0.04 -0.33 0.00 -0.41 0.00 0.00 32.23 32.51 1nqh h LYS 500 CO 1.03 0.13 -0.77 -0.65 -2.27 0.00 0.00 179.45 176.91 1nqh s GLN 501 N -5.68 0.86 0.16 1.90 -0.21 -1.26 -0.44 119.66 114.99 1nqh s GLN 501 Ca -0.10 -0.14 0.07 0.00 0.02 0.00 0.00 55.36 55.21 1nqh s GLN 501 Cb 0.31 -0.84 -0.04 0.00 1.00 0.00 0.00 33.01 33.44 1nqh s GLN 501 CO 0.78 -0.05 -0.14 -0.65 -2.12 0.00 0.00 175.29 173.11 1nqh s GLN 502 N 0.79 1.16 -0.16 2.91 -0.21 -0.37 -1.28 119.66 122.51 1nqh s GLN 502 Ca -0.11 -1.40 -0.06 0.00 0.02 0.00 0.00 55.36 53.81 1nqh s GLN 502 Cb -0.14 -1.01 0.07 0.00 1.00 0.00 0.00 33.01 32.94 1nqh s GLN 502 CO 0.00 0.18 0.33 0.08 -2.12 0.00 0.00 175.29 173.77 1nqh s VAL 503 N -2.53 -0.47 -0.10 1.09 1.01 -1.05 -1.28 120.40 117.08 1nqh s VAL 503 Ca 0.15 0.22 -0.00 0.00 0.00 0.00 0.00 61.98 62.35 1nqh s VAL 503 Cb -0.03 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.84 1nqh s VAL 503 CO 0.04 0.09 -0.07 -0.54 0.00 0.00 0.00 175.10 174.63 1nqh s LYS 504 N 2.38 1.37 0.04 2.72 1.02 -0.64 0.21 119.74 126.84 1nqh s LYS 504 Ca -0.01 -0.21 0.09 0.00 0.02 0.00 0.00 55.97 55.86 1nqh s LYS 504 Cb -0.12 -1.42 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1nqh s LYS 504 CO -0.10 -0.22 -0.25 -0.47 -0.92 0.00 0.00 175.35 173.38 1nqh s TYR 505 N 1.56 2.36 0.04 3.18 6.14 -0.50 0.23 117.35 130.36 1nqh s TYR 505 Ca 0.01 -0.39 0.07 0.00 0.64 0.00 0.00 57.07 57.40 1nqh s TYR 505 Cb -0.13 -1.42 -0.02 0.00 0.42 0.00 0.00 41.96 40.81 1nqh s TYR 505 CO -0.06 0.12 -0.20 -1.14 0.64 0.00 0.00 175.55 174.91 1nqh s GLN 506 N -1.18 1.38 -0.16 4.97 2.00 0.16 -0.87 119.66 125.94 1nqh s GLN 506 Ca 0.12 -0.92 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 1nqh s GLN 506 Cb -0.10 -1.48 0.03 0.00 0.80 0.00 0.00 33.01 32.26 1nqh s GLN 506 CO 0.02 0.38 -0.13 -1.17 -0.50 0.00 0.00 175.29 173.89 1nqh s LEU 507 N -1.14 1.88 -0.05 3.68 2.96 0.03 -2.28 118.68 123.76 1nqh s LEU 507 Ca 0.07 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1nqh s LEU 507 Cb -0.09 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.37 1nqh s LEU 507 CO 0.02 -0.08 -0.11 -1.81 -1.32 0.00 0.00 176.35 173.05 1nqh s ASP 508 N 1.46 4.33 0.15 3.68 1.01 -0.31 -1.68 116.67 125.30 1nqh s ASP 508 Ca 0.03 -0.13 -0.24 0.00 0.71 0.00 0.00 52.55 52.93 1nqh s ASP 508 Cb -0.14 -0.99 0.07 0.00 1.01 0.00 0.00 42.92 42.87 1nqh s ASP 508 CO -0.10 0.34 0.66 -1.66 0.21 0.00 0.00 175.17 174.63 1nqh s TRP 509 N -0.80 -0.46 0.00 4.23 -2.14 -0.68 -0.89 118.94 118.20 1nqh s TRP 509 Ca 0.13 0.23 0.08 0.00 2.66 0.00 0.00 56.10 59.20 1nqh s TRP 509 Cb -0.11 0.58 -0.02 0.00 -3.10 0.00 0.00 33.47 30.82 1nqh s TRP 509 CO 0.02 -0.85 -0.25 -0.65 -2.66 0.00 0.00 176.95 172.55 1nqh s GLN 510 N -3.67 2.02 0.00 3.25 1.11 -1.26 -1.10 119.66 120.01 1nqh s GLN 510 Ca 0.03 -0.98 0.00 0.00 0.01 0.00 0.00 55.36 54.42 1nqh s GLN 510 Cb -0.02 -2.04 0.00 0.00 -1.01 0.00 0.00 33.01 29.94 1nqh s GLN 510 CO -0.10 0.55 0.00 -0.11 0.01 0.00 0.00 175.29 175.64 1nqh n LEU 511 N 2.18 0.00 0.00 2.90 7.94 -0.89 -5.00 117.00 124.13 1nqh n LEU 511 Ca -0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.74 1nqh n LEU 511 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1nqh n LEU 511 CO 0.23 0.00 0.00 -1.22 -1.11 0.00 0.00 177.39 175.29 1nqh n TYR 512 N 0.00 0.00 -0.93 1.96 4.01 -1.26 -4.83 117.16 116.12 1nqh n TYR 512 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1nqh n TYR 512 Cb 0.00 -0.13 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 1nqh n TYR 512 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1nqh n ASP 513 N -1.75 0.51 -4.64 7.72 8.00 -1.26 -4.96 116.55 120.17 1nqh n ASP 513 Ca 0.00 -1.42 -0.43 0.00 0.71 0.00 0.00 54.79 53.65 1nqh n ASP 513 Cb 0.00 -0.04 -0.02 0.00 -0.02 0.00 0.00 41.12 41.04 1nqh n ASP 513 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1nqh s PHE 514 N -0.33 3.00 -0.06 1.24 0.08 -1.26 -4.45 117.98 116.20 1nqh s PHE 514 Ca 0.01 1.09 -0.30 0.00 0.12 0.00 0.00 56.93 57.85 1nqh s PHE 514 Cb 0.01 -3.75 -0.03 0.00 -0.57 0.00 0.00 43.02 38.68 1nqh s PHE 514 CO 0.00 -1.09 1.11 0.34 -0.10 0.00 0.00 175.22 175.48 1nqh s ASP 515 N 2.00 7.15 -0.04 1.36 3.68 -0.14 -2.09 116.67 128.58 1nqh s ASP 515 Ca 0.49 1.71 0.04 0.00 2.13 0.00 0.00 52.55 56.92 1nqh s ASP 515 Cb -0.14 -2.56 -0.03 0.00 -1.45 0.00 0.00 42.92 38.74 1nqh s ASP 515 CO 0.18 -0.50 -0.14 0.26 0.13 0.00 0.00 175.17 175.10 1nqh s TRP 516 N 1.97 2.72 0.02 -5.34 0.52 -0.26 -0.97 118.94 117.60 1nqh s TRP 516 Ca 0.53 -0.14 0.02 0.00 0.02 0.00 0.00 56.10 56.53 1nqh s TRP 516 Cb -0.22 -1.62 -0.01 0.00 -1.15 0.00 0.00 33.47 30.46 1nqh s TRP 516 CO 0.21 0.22 -0.07 0.20 0.02 0.00 0.00 176.95 177.53 1nqh s GLY 517 N -0.84 0.38 -0.07 0.98 0.00 0.16 -1.69 107.32 106.23 1nqh s GLY 517 Ca 0.12 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.38 1nqh s GLY 517 CO 0.01 -0.49 -0.14 -0.42 0.00 0.00 0.00 173.10 172.07 1nqh s ILE 518 N -0.71 1.26 -0.11 0.90 1.01 -0.68 0.21 121.20 123.07 1nqh s ILE 518 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.09 1nqh s ILE 518 Cb -0.06 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.29 1nqh s ILE 518 CO 0.00 0.38 -0.20 0.28 0.00 0.00 0.00 174.94 175.40 1nqh s THR 519 N 0.59 1.86 0.04 2.92 -1.32 -0.97 -0.79 115.64 117.98 1nqh s THR 519 Ca -0.15 -0.88 0.06 0.00 -1.21 0.00 0.00 61.69 59.51 1nqh s THR 519 Cb -0.16 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.15 1nqh s THR 519 CO 0.04 0.51 -0.11 -0.47 -2.21 0.00 0.00 174.62 172.38 1nqh s TYR 520 N 0.68 2.74 -0.02 9.09 5.04 -0.05 -1.66 117.35 133.17 1nqh s TYR 520 Ca -0.12 -0.14 -0.08 0.00 -2.44 0.00 0.00 57.07 54.29 1nqh s TYR 520 Cb -0.16 -1.51 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1nqh s TYR 520 CO 0.02 0.35 0.17 -1.14 -1.34 0.00 0.00 175.55 173.61 1nqh s GLN 521 N -1.65 0.45 -0.17 4.97 0.74 -1.02 -1.42 119.66 121.56 1nqh s GLN 521 Ca 0.18 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.36 1nqh s GLN 521 Cb -0.11 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.21 1nqh s GLN 521 CO 0.09 -0.10 -0.20 -0.47 -0.55 0.00 0.00 175.29 174.05 1nqh s TYR 522 N -1.06 2.76 -0.51 1.67 5.04 0.13 -2.24 117.35 123.14 1nqh s TYR 522 Ca -0.11 -1.54 -0.21 0.00 -2.44 0.00 0.00 57.07 52.77 1nqh s TYR 522 Cb -0.06 -1.90 0.05 0.00 0.35 0.00 0.00 41.96 40.40 1nqh s TYR 522 CO 0.02 -0.74 0.73 -0.51 -1.34 0.00 0.00 175.55 173.71 1nqh s LEU 523 N 1.16 4.61 1.10 6.97 1.43 0.13 -2.53 118.68 131.54 1nqh s LEU 523 Ca 0.02 -0.64 -0.15 0.00 -1.03 0.00 0.00 54.13 52.33 1nqh s LEU 523 Cb -0.14 -2.62 0.24 0.00 0.03 0.00 0.00 46.19 43.70 1nqh s LEU 523 CO -0.09 -0.99 1.09 -0.83 0.23 0.00 0.00 176.35 175.75 1nqh s GLY 524 N 2.64 1.56 0.49 -3.19 0.00 -0.40 0.19 107.32 108.60 1nqh s GLY 524 Ca 0.21 -0.55 -0.10 0.00 0.00 0.00 0.00 44.72 44.28 1nqh s GLY 524 CO 0.15 0.18 0.87 -1.08 0.00 0.00 0.00 173.10 173.22 1nqh s THR 525 N -2.91 4.76 0.26 0.90 -1.32 -1.24 -4.43 115.64 111.66 1nqh s THR 525 Ca 0.67 0.66 -0.02 0.00 -1.21 0.00 0.00 61.69 61.79 1nqh s THR 525 Cb -0.16 -3.80 0.01 0.00 -1.51 0.00 0.00 72.50 67.03 1nqh s THR 525 CO 0.58 -0.79 0.38 -2.11 -2.21 0.00 0.00 174.62 170.47 1nqh n ARG 526 N -1.96 0.55 -4.34 7.08 1.85 -0.83 -4.15 116.66 114.86 1nqh n ARG 526 Ca 0.03 -2.03 -0.18 0.00 -1.00 0.00 0.00 57.85 54.67 1nqh n ARG 526 Cb 0.54 1.99 -0.15 0.00 -1.05 0.00 0.00 32.46 33.80 1nqh n ARG 526 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1nqh s TYR 527 N -3.52 0.78 0.00 2.89 1.51 -1.26 0.12 117.35 117.87 1nqh s TYR 527 Ca 0.21 -0.15 0.00 0.00 -1.01 0.00 0.00 57.07 56.11 1nqh s TYR 527 Cb -0.01 -0.51 0.00 0.00 -0.11 0.00 0.00 41.96 41.33 1nqh s TYR 527 CO 0.15 -0.02 0.00 -3.47 -1.11 0.00 0.00 175.55 171.09 1nqh n ASP 528 N 2.93 0.00 -4.19 2.29 2.03 -0.41 0.12 116.55 119.31 1nqh n ASP 528 Ca -0.14 -0.26 -0.25 0.00 0.52 0.00 0.00 54.79 54.66 1nqh n ASP 528 Cb 0.57 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.82 1nqh n ASP 528 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1nqh s LYS 529 N 0.22 1.42 -0.38 -0.67 1.02 -1.26 -0.96 119.74 119.12 1nqh s LYS 529 Ca 0.00 -0.72 -0.05 0.00 0.02 0.00 0.00 55.97 55.22 1nqh s LYS 529 Cb 0.00 -1.41 0.08 0.00 -0.52 0.00 0.00 37.83 35.98 1nqh s LYS 529 CO 0.00 0.38 0.17 0.34 -0.92 0.00 0.00 175.35 175.32 1nqh s ASP 530 N -0.63 5.31 0.00 2.83 -1.08 -0.20 -4.78 116.67 118.11 1nqh s ASP 530 Ca 0.07 -1.64 0.20 0.00 -0.52 0.00 0.00 52.55 50.66 1nqh s ASP 530 Cb -0.07 -1.86 1.02 0.00 -1.46 0.00 0.00 42.92 40.55 1nqh s ASP 530 CO -0.00 -0.47 1.68 -1.22 0.52 0.00 0.00 175.17 175.68 1nqh n TYR 531 N 4.72 0.06 0.14 -5.34 4.01 -1.26 -3.46 117.16 116.03 1nqh n TYR 531 Ca -0.08 -0.03 0.08 0.00 -0.16 0.00 0.00 57.90 57.71 1nqh n TYR 531 Cb 0.42 0.00 0.40 0.00 -0.31 0.00 0.00 39.34 39.86 1nqh n TYR 531 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1nqh n SER 532 N -0.46 0.38 0.00 7.72 3.41 -1.26 -4.40 113.62 119.01 1nqh n SER 532 Ca 0.15 0.61 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1nqh n SER 532 Cb 0.15 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1nqh n SER 532 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nqh n SER 533 N -2.05 0.00 -4.81 4.04 2.88 -1.26 -4.89 113.62 107.54 1nqh n SER 533 Ca -0.01 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.20 1nqh n SER 533 Cb 0.19 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.64 1nqh n SER 533 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 1nqh s TYR 534 N 0.00 3.05 0.63 0.66 6.14 -1.26 -3.86 117.35 122.71 1nqh s TYR 534 Ca 0.00 1.53 -0.17 0.00 0.64 0.00 0.00 57.07 59.07 1nqh s TYR 534 Cb 0.00 -3.00 -0.07 0.00 0.42 0.00 0.00 41.96 39.30 1nqh s TYR 534 CO 0.00 -0.93 0.46 -2.30 0.64 0.00 0.00 175.55 173.42 1nqh n PRO 535 N -1.60 0.40 -3.19 4.97 -0.02 -1.26 -5.04 135.00 129.25 1nqh n PRO 535 Ca 0.09 0.16 -0.39 0.00 -2.02 0.00 0.00 63.50 61.34 1nqh n PRO 535 Cb 0.53 -1.70 -0.06 0.00 -0.02 0.00 0.00 33.50 32.26 1nqh n PRO 535 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1nqh s TYR 536 N -1.81 3.66 0.25 6.00 4.12 -1.25 -5.03 117.35 123.29 1nqh s TYR 536 Ca 0.66 1.19 0.06 0.00 0.02 0.00 0.00 57.07 59.00 1nqh s TYR 536 Cb -0.41 -2.63 -0.03 0.00 -1.52 0.00 0.00 41.96 37.37 1nqh s TYR 536 CO 0.57 0.32 0.29 -0.65 0.02 0.00 0.00 175.55 176.10 1nqh s GLN 537 N -0.05 3.22 0.16 -0.62 -1.52 -1.22 -4.82 119.66 114.81 1nqh s GLN 537 Ca 0.32 -0.88 -0.06 0.00 -1.95 0.00 0.00 55.36 52.78 1nqh s GLN 537 Cb -0.18 -2.75 -0.06 0.00 -0.22 0.00 0.00 33.01 29.80 1nqh s GLN 537 CO 0.17 0.42 0.41 0.95 -0.25 0.00 0.00 175.29 176.99 1nqh s THR 538 N -2.05 5.12 0.04 -0.19 -4.23 -1.25 -1.03 115.64 112.04 1nqh s THR 538 Ca 0.34 0.14 0.02 0.00 -1.18 0.00 0.00 61.69 61.00 1nqh s THR 538 Cb -0.09 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1nqh s THR 538 CO 0.27 0.03 -0.07 0.54 -0.54 0.00 0.00 174.62 174.85 1nqh s VAL 539 N -1.68 0.46 -0.30 2.29 0.11 -0.14 -4.91 120.40 116.23 1nqh s VAL 539 Ca 0.42 -1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 58.34 1nqh s VAL 539 Cb -0.12 -0.53 -0.03 0.00 -1.53 0.00 0.00 36.38 34.16 1nqh s VAL 539 CO 0.24 -0.38 0.19 -0.75 -3.33 0.00 0.00 175.10 171.07 1nqh s LYS 540 N -1.50 3.71 0.25 1.54 2.20 -1.26 -1.29 119.74 123.39 1nqh s LYS 540 Ca -0.11 -0.48 -0.17 0.00 -0.36 0.00 0.00 55.97 54.85 1nqh s LYS 540 Cb -0.10 -3.67 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 1nqh s LYS 540 CO 0.00 -0.29 0.71 -1.64 -0.36 0.00 0.00 175.35 173.77 1nqh s MET 541 N 1.72 4.14 0.01 4.03 -1.94 0.33 -4.95 119.30 122.62 1nqh s MET 541 Ca 0.06 0.76 -0.18 0.00 -1.71 0.00 0.00 55.69 54.63 1nqh s MET 541 Cb -0.16 -2.73 -0.35 0.00 2.01 0.00 0.00 34.83 33.60 1nqh s MET 541 CO 0.10 0.32 0.96 0.78 -0.01 0.00 0.00 175.02 177.17 1nqh h GLY 542 N 3.01 0.54 0.00 -0.03 0.00 -1.93 -2.19 103.07 102.48 1nqh h GLY 542 Ca -0.48 -1.39 0.00 0.00 0.00 0.00 0.00 47.33 45.46 1nqh h GLY 542 CO 0.65 1.22 0.00 0.61 0.00 0.00 0.00 176.54 179.02 1nqh n GLY 543 N 1.71 -0.33 3.73 4.60 0.00 -1.26 -3.70 105.19 109.93 1nqh n GLY 543 Ca -0.16 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.39 1nqh n GLY 543 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1nqh s VAL 544 N -1.54 0.00 -0.20 1.61 -7.23 0.50 -4.82 120.40 108.71 1nqh s VAL 544 Ca 0.00 -0.79 -0.02 0.00 -1.81 0.00 0.00 61.98 59.36 1nqh s VAL 544 Cb 0.00 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.18 1nqh s VAL 544 CO 0.00 -0.01 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.23 1nqh s SER 545 N -2.88 3.84 0.20 4.85 0.01 -1.26 0.17 113.70 118.62 1nqh s SER 545 Ca 0.09 -0.49 0.07 0.00 1.31 0.00 0.00 55.95 56.94 1nqh s SER 545 Cb -0.04 -1.63 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1nqh s SER 545 CO 0.02 -0.00 0.07 -0.76 0.41 0.00 0.00 173.24 172.98 1nqh s LEU 546 N 1.34 3.51 -0.11 2.44 1.43 -0.95 -4.87 118.68 121.47 1nqh s LEU 546 Ca 0.04 -0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 1nqh s LEU 546 Cb -0.14 -2.10 0.03 0.00 0.03 0.00 0.00 46.19 44.01 1nqh s LEU 546 CO -0.06 0.04 0.29 0.26 0.23 0.00 0.00 176.35 177.11 1nqh s TRP 547 N -1.92 -0.33 0.11 0.29 0.52 -1.26 -2.44 118.94 113.91 1nqh s TRP 547 Ca 0.30 0.80 0.03 0.00 0.02 0.00 0.00 56.10 57.25 1nqh s TRP 547 Cb -0.09 0.11 -0.04 0.00 -1.15 0.00 0.00 33.47 32.30 1nqh s TRP 547 CO 0.21 -0.17 -0.09 -0.51 0.02 0.00 0.00 176.95 176.41 1nqh s ASP 548 N 0.27 1.47 -0.09 2.95 1.01 -0.66 -0.14 116.67 121.47 1nqh s ASP 548 Ca -0.01 -0.91 0.01 0.00 0.71 0.00 0.00 52.55 52.36 1nqh s ASP 548 Cb -0.03 0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.94 1nqh s ASP 548 CO -0.01 -0.33 -0.11 -0.22 0.21 0.00 0.00 175.17 174.72 1nqh s LEU 549 N -2.76 1.50 0.01 1.23 2.96 0.17 -2.29 118.68 119.49 1nqh s LEU 549 Ca 0.10 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1nqh s LEU 549 Cb 0.00 -0.89 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1nqh s LEU 549 CO -0.01 -0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 174.89 1nqh s ALA 550 N 1.12 0.82 0.13 5.97 0.00 0.13 -1.37 121.76 128.57 1nqh s ALA 550 Ca -0.05 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.44 1nqh s ALA 550 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1nqh s ALA 550 CO -0.02 0.17 -0.16 0.14 0.00 0.00 0.00 175.76 175.89 1nqh s VAL 551 N -0.50 1.49 0.05 0.00 -7.23 -0.77 0.35 120.40 113.78 1nqh s VAL 551 Ca 0.01 -1.75 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1nqh s VAL 551 Cb -0.05 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1nqh s VAL 551 CO 0.00 -0.36 -0.03 0.00 -0.31 0.00 0.00 175.10 174.40 1nqh s ALA 552 N -2.03 0.47 -0.06 1.32 0.00 -0.14 -1.47 121.76 119.85 1nqh s ALA 552 Ca 0.10 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.89 1nqh s ALA 552 Cb -0.06 0.25 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1nqh s ALA 552 CO 0.04 -0.34 0.14 -0.47 0.00 0.00 0.00 175.76 175.13 1nqh s TYR 553 N -3.62 -0.16 -1.31 0.00 5.04 -0.87 -0.97 117.35 115.46 1nqh s TYR 553 Ca 0.04 0.44 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 1nqh s TYR 553 Cb 0.06 -0.03 0.11 0.00 0.35 0.00 0.00 41.96 42.45 1nqh s TYR 553 CO -0.09 -0.13 1.78 -0.35 -1.34 0.00 0.00 175.55 175.42 1nqh n PRO 554 N 3.71 3.24 0.14 4.97 -0.04 -1.26 -0.78 135.00 144.98 1nqh n PRO 554 Ca -0.21 -3.34 0.15 0.00 -0.04 0.00 0.00 63.50 60.07 1nqh n PRO 554 Cb 0.55 -3.24 0.70 0.00 -0.04 0.00 0.00 33.50 31.47 1nqh n PRO 554 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1nqh h VAL 555 N 4.69 0.77 0.00 0.52 3.04 -1.38 -3.39 116.25 120.50 1nqh h VAL 555 Ca 0.43 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.12 1nqh h VAL 555 Cb 0.78 0.85 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1nqh h VAL 555 CO 1.52 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 178.43 1nqh n THR 556 N -4.31 0.00 0.00 3.17 -2.24 -0.89 -4.93 114.28 105.09 1nqh n THR 556 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1nqh n THR 556 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1nqh n THR 556 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1nqh n SER 557 N 0.00 0.00 0.00 3.42 2.88 -1.26 -4.70 113.62 113.96 1nqh n SER 557 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1nqh n SER 557 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 1nqh n SER 557 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1nqh n HIS 558 N -0.72 0.08 -4.01 0.66 8.25 -1.26 -4.94 115.22 113.28 1nqh n HIS 558 Ca 0.00 0.02 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 1nqh n HIS 558 Cb 0.00 -0.41 -0.15 0.00 1.12 0.00 0.00 29.99 30.56 1nqh n HIS 558 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1nqh s LEU 559 N -4.16 2.74 0.16 2.41 0.20 -1.26 -1.01 118.68 117.76 1nqh s LEU 559 Ca -0.03 -0.70 0.03 0.00 0.69 0.00 0.00 54.13 54.12 1nqh s LEU 559 Cb 0.14 -1.61 -0.04 0.00 -0.43 0.00 0.00 46.19 44.26 1nqh s LEU 559 CO 0.88 -0.06 0.26 -0.89 -0.29 0.00 0.00 176.35 176.26 1nqh s THR 560 N 1.34 5.16 -0.11 3.68 2.01 -0.27 -0.96 115.64 126.49 1nqh s THR 560 Ca 0.03 -0.79 -0.03 0.00 0.31 0.00 0.00 61.69 61.21 1nqh s THR 560 Cb -0.15 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.75 1nqh s THR 560 CO -0.07 -0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 173.16 1nqh s VAL 561 N -1.76 -0.15 0.50 3.82 1.01 0.04 -2.26 120.40 121.60 1nqh s VAL 561 Ca 0.34 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.50 1nqh s VAL 561 Cb -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 1nqh s VAL 561 CO 0.28 -0.02 0.03 -0.13 0.00 0.00 0.00 175.10 175.26 1nqh s ARG 562 N 2.20 2.16 -0.25 2.72 0.52 0.40 -2.06 118.95 124.65 1nqh s ARG 562 Ca 0.04 -2.38 -0.26 0.00 -0.52 0.00 0.00 55.73 52.60 1nqh s ARG 562 Cb -0.14 -1.35 0.12 0.00 0.52 0.00 0.00 34.95 34.10 1nqh s ARG 562 CO -0.06 -0.40 1.00 0.20 0.02 0.00 0.00 175.30 176.05 1nqh s GLY 563 N -3.84 -0.21 -0.16 -3.53 0.00 -0.55 -0.61 107.32 98.42 1nqh s GLY 563 Ca 0.07 2.46 -0.11 0.00 0.00 0.00 0.00 44.72 47.15 1nqh s GLY 563 CO 0.04 1.62 0.41 1.25 0.00 0.00 0.00 173.10 176.43 1nqh s LYS 564 N -0.11 0.42 -0.29 2.90 2.20 0.74 -1.85 119.74 123.75 1nqh s LYS 564 Ca 0.02 0.72 -0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1nqh s LYS 564 Cb -0.04 0.06 0.01 0.00 -1.51 0.00 0.00 37.83 36.35 1nqh s LYS 564 CO -0.04 -0.13 0.06 0.42 -0.36 0.00 0.00 175.35 175.31 1nqh s ILE 565 N 1.03 3.82 0.12 5.43 1.01 -0.47 -1.50 121.20 130.65 1nqh s ILE 565 Ca -0.07 -0.76 0.06 0.00 0.00 0.00 0.00 60.65 59.88 1nqh s ILE 565 Cb -0.07 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 1nqh s ILE 565 CO -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 174.94 174.93 1nqh s ALA 566 N 1.47 3.26 -0.58 9.38 0.00 0.36 -0.66 121.76 135.00 1nqh s ALA 566 Ca 0.02 -1.20 -0.18 0.00 0.00 0.00 0.00 51.96 50.59 1nqh s ALA 566 Cb -0.17 -1.12 0.03 0.00 0.00 0.00 0.00 23.12 21.85 1nqh s ALA 566 CO 0.02 0.63 0.64 -1.71 0.00 0.00 0.00 175.76 175.33 1nqh n ASN 567 N 0.33 -6.33 -0.01 0.00 4.05 -1.12 -0.51 115.26 111.67 1nqh n ASN 567 Ca -0.11 -0.15 -0.17 0.00 0.45 0.00 0.00 54.58 54.60 1nqh n ASN 567 Cb 0.53 -3.17 -0.09 0.00 1.23 0.00 0.00 39.78 38.27 1nqh n ASN 567 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1nqh h LEU 568 N 1.27 0.67 0.00 1.20 5.85 -0.75 -3.35 115.31 120.21 1nqh h LEU 568 Ca -0.35 -0.69 0.00 0.00 0.84 0.00 0.00 57.88 57.68 1nqh h LEU 568 Cb 1.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1nqh h LEU 568 CO 0.26 1.26 0.00 0.49 -0.34 0.00 0.00 178.44 180.12 1nqh n PHE 569 N -4.14 0.00 -3.26 1.25 3.01 -1.26 -4.98 117.46 108.07 1nqh n PHE 569 Ca -0.09 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 1nqh n PHE 569 Cb 0.68 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.07 1nqh n PHE 569 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1nqh n ASP 570 N 0.00 0.48 -4.60 4.37 2.03 -1.26 -4.63 116.55 112.93 1nqh n ASP 570 Ca 0.00 -2.73 -0.41 0.00 0.52 0.00 0.00 54.79 52.18 1nqh n ASP 570 Cb 0.00 -0.63 -0.07 0.00 -0.72 0.00 0.00 41.12 39.70 1nqh n ASP 570 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1nqh s LYS 571 N -1.12 3.92 0.29 -0.67 2.47 -1.26 -4.96 119.74 118.41 1nqh s LYS 571 Ca 0.35 0.30 -0.19 0.00 -1.56 0.00 0.00 55.97 54.87 1nqh s LYS 571 Cb 0.14 -3.72 -0.09 0.00 -1.46 0.00 0.00 37.83 32.71 1nqh s LYS 571 CO -0.12 -0.54 0.78 0.34 0.16 0.00 0.00 175.35 175.98 1nqh s ASP 572 N 1.62 6.98 0.00 1.43 -1.08 -1.26 -4.56 116.67 119.79 1nqh s ASP 572 Ca 0.25 1.45 0.00 0.00 -0.52 0.00 0.00 52.55 53.73 1nqh s ASP 572 Cb -0.15 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.87 1nqh s ASP 572 CO 0.11 -0.11 0.00 0.00 0.52 0.00 0.00 175.17 175.70 1nqh n TYR 573 N 0.17 0.00 -4.12 -5.34 0.18 -1.26 -5.07 117.16 101.71 1nqh n TYR 573 Ca 0.01 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.67 1nqh n TYR 573 Cb 0.52 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.37 1nqh n TYR 573 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 1nqh s GLU 574 N -2.00 0.70 0.00 -3.48 2.02 -1.26 -3.25 118.70 111.42 1nqh s GLU 574 Ca 0.00 -1.05 0.13 0.00 0.02 0.00 0.00 54.97 54.08 1nqh s GLU 574 Cb 0.00 -0.29 -0.03 0.00 0.10 0.00 0.00 34.13 33.91 1nqh s GLU 574 CO 0.00 0.03 0.71 0.25 0.02 0.00 0.00 175.26 176.27 1nqh n THR 575 N 0.73 0.00 -3.59 3.63 -2.24 -1.26 -4.75 114.28 106.80 1nqh n THR 575 Ca -0.18 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.01 1nqh n THR 575 Cb 0.58 1.13 -0.16 0.00 -2.10 0.00 0.00 70.33 69.77 1nqh n THR 575 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1nqh s VAL 576 N -1.77 -0.10 -0.41 2.28 1.01 -1.25 -4.69 120.40 115.48 1nqh s VAL 576 Ca 0.10 -0.29 -0.37 0.00 0.00 0.00 0.00 61.98 61.41 1nqh s VAL 576 Cb 0.11 -0.67 -0.16 0.00 0.00 0.00 0.00 36.38 35.66 1nqh s VAL 576 CO 0.37 -0.38 1.53 0.00 0.00 0.00 0.00 175.10 176.63 1nqh n TYR 577 N 5.27 1.20 0.00 5.22 9.36 -1.26 0.63 117.16 137.58 1nqh n TYR 577 Ca -0.07 0.79 0.00 0.00 3.32 0.00 0.00 57.90 61.94 1nqh n TYR 577 Cb 0.47 -1.86 0.00 0.00 -0.63 0.00 0.00 39.34 37.33 1nqh n TYR 577 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1nqh n GLY 578 N 4.72 2.26 3.69 2.98 0.00 -1.26 -4.96 105.19 112.61 1nqh n GLY 578 Ca 0.35 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.02 1nqh n GLY 578 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nqh s TYR 579 N -2.49 3.35 0.21 1.61 1.51 0.20 -1.17 117.35 120.57 1nqh s TYR 579 Ca 0.00 0.25 -0.29 0.00 -1.01 0.00 0.00 57.07 56.01 1nqh s TYR 579 Cb 0.00 -2.19 -0.08 0.00 -0.11 0.00 0.00 41.96 39.58 1nqh s TYR 579 CO 0.00 0.18 0.92 -1.14 -1.11 0.00 0.00 175.55 174.40 1nqh s GLN 580 N 0.63 4.80 0.21 -0.62 0.74 -0.79 -4.68 119.66 119.94 1nqh s GLN 580 Ca 0.07 1.44 -0.03 0.00 0.05 0.00 0.00 55.36 56.89 1nqh s GLN 580 Cb -0.12 -3.29 0.05 0.00 1.10 0.00 0.00 33.01 30.74 1nqh s GLN 580 CO 0.01 0.48 0.28 0.25 -0.55 0.00 0.00 175.29 175.75 1nqh n THR 581 N 1.71 0.00 0.00 -0.34 -2.24 -1.20 -4.26 114.28 107.94 1nqh n THR 581 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 1nqh n THR 581 Cb 0.48 -1.75 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 1nqh n THR 581 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqh n ALA 582 N -3.14 -0.16 0.00 6.98 0.00 -1.26 -4.92 120.51 118.00 1nqh n ALA 582 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nqh n ALA 582 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1nqh n ALA 582 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqh n GLY 583 N 0.93 -0.32 3.67 0.00 0.00 -1.26 -4.94 105.19 103.26 1nqh n GLY 583 Ca 0.00 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1nqh n GLY 583 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqh s ARG 584 N -1.56 4.20 0.06 1.61 3.52 -1.26 -4.71 118.95 120.83 1nqh s ARG 584 Ca 0.00 2.10 0.06 0.00 -0.13 0.00 0.00 55.73 57.76 1nqh s ARG 584 Cb 0.00 -3.87 -0.03 0.00 -1.56 0.00 0.00 34.95 29.50 1nqh s ARG 584 CO 0.00 -0.78 -0.16 -1.21 -0.81 0.00 0.00 175.30 172.34 1nqh s GLU 585 N 3.62 0.97 0.12 5.12 2.02 0.33 -4.98 118.70 125.91 1nqh s GLU 585 Ca 0.70 -0.92 0.03 0.00 0.02 0.00 0.00 54.97 54.80 1nqh s GLU 585 Cb -0.32 -1.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.83 1nqh s GLU 585 CO 0.27 0.25 0.18 0.71 0.02 0.00 0.00 175.26 176.69 1nqh s TYR 586 N -1.05 3.32 -0.04 1.61 1.51 -1.26 0.14 117.35 121.58 1nqh s TYR 586 Ca 0.02 0.09 -0.16 0.00 -1.01 0.00 0.00 57.07 56.01 1nqh s TYR 586 Cb -0.09 -1.62 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 1nqh s TYR 586 CO 0.02 0.53 0.35 0.99 -1.11 0.00 0.00 175.55 176.33 1nqh s THR 587 N -1.62 0.04 -0.13 -0.71 2.01 -0.56 -1.78 115.64 112.88 1nqh s THR 587 Ca 0.32 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.93 1nqh s THR 587 Cb -0.11 -0.62 0.06 0.00 0.01 0.00 0.00 72.50 71.84 1nqh s THR 587 CO 0.25 -0.19 0.27 -0.22 -0.69 0.00 0.00 174.62 174.04 1nqh s LEU 588 N -1.02 -0.30 0.04 4.42 1.98 -0.92 -0.19 118.68 122.70 1nqh s LEU 588 Ca -0.11 0.60 -0.17 0.00 -2.89 0.00 0.00 54.13 51.56 1nqh s LEU 588 Cb -0.04 0.71 0.03 0.00 0.66 0.00 0.00 46.19 47.55 1nqh s LEU 588 CO 0.04 -0.24 0.39 -0.55 -1.89 0.00 0.00 176.35 174.10 1nqh s SER 589 N 2.41 -0.25 -0.01 3.68 0.15 0.22 -0.85 113.70 119.05 1nqh s SER 589 Ca 0.01 -0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.50 1nqh s SER 589 Cb -0.12 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 1nqh s SER 589 CO -0.09 -0.65 0.24 -0.83 1.20 0.00 0.00 173.24 173.11 1nqh s GLY 590 N -2.02 -0.08 -0.00 9.45 0.00 -0.72 0.15 107.32 114.09 1nqh s GLY 590 Ca -0.05 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.85 1nqh s GLY 590 CO -0.03 -0.01 -0.03 -0.56 0.00 0.00 0.00 173.10 172.48 1nqh s SER 591 N -1.28 0.34 0.04 1.64 0.01 -0.96 -2.31 113.70 111.18 1nqh s SER 591 Ca -0.13 -0.05 0.08 0.00 1.31 0.00 0.00 55.95 57.15 1nqh s SER 591 Cb -0.06 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.10 1nqh s SER 591 CO 0.03 0.03 -0.22 -0.47 0.41 0.00 0.00 173.24 173.02 1nqh s TYR 592 N -0.05 1.96 0.19 2.43 6.14 -0.63 -1.12 117.35 126.27 1nqh s TYR 592 Ca 0.01 -0.39 0.09 0.00 0.64 0.00 0.00 57.07 57.42 1nqh s TYR 592 Cb -0.01 -1.17 -0.04 0.00 0.42 0.00 0.00 41.96 41.15 1nqh s TYR 592 CO -0.00 0.10 -0.17 0.99 0.64 0.00 0.00 175.55 177.11 1nqh s THR 593 N -0.80 1.86 0.00 4.34 2.01 -0.18 -1.96 115.64 120.92 1nqh s THR 593 Ca 0.09 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 60.04 1nqh s THR 593 Cb -0.09 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.48 1nqh s THR 593 CO 0.02 -0.40 0.00 2.22 -0.69 0.00 0.00 174.62 175.77