#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqa s VAL 1 N 0.00 5.22 -0.16 0.00 0.11 -0.26 -4.91 120.40 120.41 1nqa s VAL 1 Ca 0.00 0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 59.58 1nqa s VAL 1 Cb 0.00 -3.76 -0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1nqa s VAL 1 CO 0.00 0.35 1.15 -0.54 -3.33 0.00 0.00 175.10 172.74 1nqa s LYS 2 N 0.54 4.29 0.08 1.54 1.02 -1.26 -1.30 119.74 124.65 1nqa s LYS 2 Ca 0.23 1.54 0.09 0.00 0.02 0.00 0.00 55.97 57.85 1nqa s LYS 2 Cb -0.14 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.47 1nqa s LYS 2 CO 0.08 -0.59 -0.22 0.08 -0.92 0.00 0.00 175.35 173.78 1nqa s VAL 3 N 2.98 2.52 0.05 3.17 1.01 0.11 -1.94 120.40 128.30 1nqa s VAL 3 Ca 0.51 -1.43 0.08 0.00 0.00 0.00 0.00 61.98 61.13 1nqa s VAL 3 Cb -0.20 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1nqa s VAL 3 CO 0.14 0.24 -0.22 -0.83 0.00 0.00 0.00 175.10 174.43 1nqa s GLY 4 N -1.68 1.18 -0.20 4.51 0.00 -0.49 -1.18 107.32 109.46 1nqa s GLY 4 Ca 0.14 -1.10 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 1nqa s GLY 4 CO 0.06 -1.02 -0.11 -0.42 0.00 0.00 0.00 173.10 171.60 1nqa s ILE 5 N -0.81 2.78 -0.45 0.90 1.01 -0.60 -0.70 121.20 123.34 1nqa s ILE 5 Ca 0.08 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.90 1nqa s ILE 5 Cb -0.09 -2.23 0.07 0.00 0.01 0.00 0.00 42.46 40.21 1nqa s ILE 5 CO 0.02 0.47 0.34 0.21 0.00 0.00 0.00 174.94 175.98 1nqa s ASN 6 N 1.39 5.99 0.00 3.58 2.47 -0.12 -0.42 114.94 127.84 1nqa s ASN 6 Ca 0.05 -1.30 0.00 0.00 0.42 0.00 0.00 52.86 52.04 1nqa s ASN 6 Cb -0.14 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1nqa s ASN 6 CO -0.08 -0.58 0.00 0.61 -3.72 0.00 0.00 177.10 173.33 1nqa n GLY 7 N 5.11 0.27 2.38 1.21 0.00 0.38 -0.36 105.19 114.19 1nqa n GLY 7 Ca -0.12 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 1nqa n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqa n PHE 8 N 0.00 1.58 -0.09 1.61 7.35 -1.21 -3.77 117.46 122.93 1nqa n PHE 8 Ca 0.00 -2.14 0.00 0.00 -0.76 0.00 0.00 57.45 54.55 1nqa n PHE 8 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 39.48 38.22 1nqa n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqa n GLY 9 N 1.58 1.61 0.11 7.13 0.00 -1.26 -4.32 105.19 110.04 1nqa n GLY 9 Ca 0.53 -1.65 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1nqa n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqa h ARG 10 N 0.00 -0.17 -0.15 1.61 2.47 -1.92 0.12 114.38 116.33 1nqa h ARG 10 Ca 0.00 0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.56 1nqa h ARG 10 Cb 0.00 0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.37 1nqa h ARG 10 CO 0.00 -0.10 -0.59 0.82 0.56 0.00 0.00 179.97 180.66 1nqa h ILE 11 N -0.20 1.32 -0.42 2.04 1.08 -1.90 -2.43 117.51 116.99 1nqa h ILE 11 Ca -0.02 -1.84 0.05 0.00 -0.39 0.00 0.00 64.86 62.66 1nqa h ILE 11 Cb 0.16 2.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.89 1nqa h ILE 11 CO 0.03 0.57 0.15 1.23 -0.69 0.00 0.00 178.15 179.45 1nqa h GLY 12 N 0.35 0.55 1.53 5.37 0.00 -1.63 0.92 103.07 110.16 1nqa h GLY 12 Ca -0.03 -0.09 -0.20 0.00 0.00 0.00 0.00 47.33 47.01 1nqa h GLY 12 CO 0.12 0.03 -0.81 3.21 0.00 0.00 0.00 176.54 179.10 1nqa h ARG 13 N 0.32 0.45 0.00 4.80 3.08 -0.82 -2.59 114.38 119.61 1nqa h ARG 13 Ca 0.20 -0.40 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 1nqa h ARG 13 Cb 0.18 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1nqa h ARG 13 CO -0.19 1.05 -0.19 -0.91 -1.07 0.00 0.00 179.97 178.65 1nqa h ASN 14 N 0.29 0.00 -0.18 7.04 2.35 -1.21 -1.41 115.58 122.46 1nqa h ASN 14 Ca -0.05 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.48 1nqa h ASN 14 Cb 1.41 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.79 1nqa h ASN 14 CO 0.14 0.19 -0.74 0.58 -1.65 0.00 0.00 177.43 175.95 1nqa h VAL 15 N 0.00 1.27 -0.96 2.81 2.07 -0.77 -2.13 116.25 118.54 1nqa h VAL 15 Ca -0.00 -1.93 0.01 0.00 0.82 0.00 0.00 66.70 65.61 1nqa h VAL 15 Cb 0.83 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 32.47 1nqa h VAL 15 CO 0.02 0.62 0.64 0.15 0.02 0.00 0.00 177.57 179.02 1nqa h PHE 16 N 0.57 1.21 -0.40 1.57 3.04 -1.01 0.19 116.94 122.10 1nqa h PHE 16 Ca -0.04 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1nqa h PHE 16 Cb 1.37 -0.41 -0.02 0.00 2.56 0.00 0.00 35.95 39.45 1nqa h PHE 16 CO 0.09 0.75 0.15 0.00 -2.02 0.00 0.00 178.31 177.28 1nqa h ARG 17 N 1.29 0.60 -0.60 1.11 3.08 -1.14 -1.57 114.38 117.15 1nqa h ARG 17 Ca 0.36 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 60.28 1nqa h ARG 17 Cb -0.12 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 29.80 1nqa h ARG 17 CO -0.08 0.57 0.32 0.00 -1.07 0.00 0.00 179.97 179.70 1nqa h ALA 18 N 1.00 0.77 -0.93 0.04 0.00 -0.72 -2.62 119.26 116.81 1nqa h ALA 18 Ca 0.13 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.00 1nqa h ALA 18 Cb 0.20 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.68 1nqa h ALA 18 CO -0.01 0.31 0.59 0.00 0.00 0.00 0.00 179.25 180.13 1nqa h ALA 19 N 1.14 1.29 -0.24 0.00 0.00 -0.34 -0.71 119.26 120.39 1nqa h ALA 19 Ca 0.21 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1nqa h ALA 19 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1nqa h ALA 19 CO -0.03 0.34 0.31 -0.07 0.00 0.00 0.00 179.25 179.80 1nqa h LEU 20 N 1.06 0.00 -2.50 0.00 3.38 -0.89 0.28 115.31 116.63 1nqa h LEU 20 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1nqa h LEU 20 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1nqa h LEU 20 CO -0.18 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.64 1nqa n LYS 21 N -3.62 2.60 -3.95 1.13 5.02 -0.28 -4.79 118.16 114.27 1nqa n LYS 21 Ca 0.03 -2.46 -0.31 0.00 -2.02 0.00 0.00 58.31 53.56 1nqa n LYS 21 Cb 0.44 -1.54 -0.15 0.00 -0.02 0.00 0.00 35.03 33.76 1nqa n LYS 21 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1nqa s ASN 22 N -1.19 4.23 0.61 4.39 3.84 0.09 -5.00 114.94 121.90 1nqa s ASN 22 Ca 0.45 -1.57 0.32 0.00 0.21 0.00 0.00 52.86 52.26 1nqa s ASN 22 Cb 0.24 -1.31 1.82 0.00 -0.55 0.00 0.00 41.25 41.45 1nqa s ASN 22 CO 0.32 -0.30 2.17 1.55 -2.79 0.00 0.00 177.10 178.05 1nqa h PRO 23 N 7.85 0.00 -0.00 0.43 0.13 -1.87 -2.01 132.00 136.53 1nqa h PRO 23 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1nqa h PRO 23 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nqa h PRO 23 CO 0.46 0.00 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.85 1nqa n ASP 24 N -3.63 0.57 -4.33 1.44 8.00 -1.26 -3.01 116.55 114.33 1nqa n ASP 24 Ca -0.01 -0.63 -0.32 0.00 0.71 0.00 0.00 54.79 54.54 1nqa n ASP 24 Cb 0.23 -0.04 -0.15 0.00 -0.02 0.00 0.00 41.12 41.14 1nqa n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqa s ILE 25 N -2.48 2.70 -0.23 0.53 -1.09 -0.76 -1.10 121.20 118.78 1nqa s ILE 25 Ca 0.28 -0.80 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 1nqa s ILE 25 Cb 0.20 -2.09 0.07 0.00 -1.58 0.00 0.00 42.46 39.06 1nqa s ILE 25 CO 0.48 0.55 0.04 -0.70 -1.23 0.00 0.00 174.94 174.08 1nqa s GLU 26 N 0.16 0.76 -0.42 2.79 2.56 -0.42 -4.60 118.70 119.53 1nqa s GLU 26 Ca -0.09 -0.64 -0.29 0.00 0.00 0.00 0.00 54.97 53.95 1nqa s GLU 26 Cb -0.16 -2.10 0.02 0.00 2.00 0.00 0.00 34.13 33.90 1nqa s GLU 26 CO 0.06 -0.73 1.17 0.08 -0.56 0.00 0.00 175.26 175.27 1nqa s VAL 27 N 1.76 4.24 -0.09 3.70 1.01 -1.26 0.06 120.40 129.82 1nqa s VAL 27 Ca 0.01 1.31 0.21 0.00 0.00 0.00 0.00 61.98 63.52 1nqa s VAL 27 Cb -0.17 -4.49 -0.26 0.00 0.00 0.00 0.00 36.38 31.46 1nqa s VAL 27 CO -0.13 -0.83 0.55 1.33 0.00 0.00 0.00 175.10 176.02 1nqa n VAL 28 N 6.60 0.32 -3.63 2.92 0.24 -0.32 -4.87 118.33 119.59 1nqa n VAL 28 Ca 0.13 -0.56 -0.14 0.00 -2.04 0.00 0.00 64.34 61.73 1nqa n VAL 28 Cb 0.48 -0.15 -0.06 0.00 -1.47 0.00 0.00 33.84 32.64 1nqa n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqa s ALA 29 N -3.35 -1.15 0.04 2.33 0.00 -1.25 -1.18 121.76 117.21 1nqa s ALA 29 Ca -0.07 0.48 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1nqa s ALA 29 Cb 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1nqa s ALA 29 CO 0.88 -0.45 -0.07 0.14 0.00 0.00 0.00 175.76 176.25 1nqa s VAL 30 N -2.27 0.50 -0.01 0.00 -7.23 0.22 -1.56 120.40 110.05 1nqa s VAL 30 Ca -0.06 -0.99 0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1nqa s VAL 30 Cb -0.01 -0.56 -0.01 0.00 0.56 0.00 0.00 36.38 36.36 1nqa s VAL 30 CO -0.01 -0.34 -0.12 0.21 -0.31 0.00 0.00 175.10 174.53 1nqa s ASN 31 N -1.44 1.37 0.00 4.85 2.47 0.44 -0.75 114.94 121.89 1nqa s ASN 31 Ca -0.09 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1nqa s ASN 31 Cb -0.09 -0.16 0.00 0.00 -1.45 0.00 0.00 41.25 39.54 1nqa s ASN 31 CO 0.00 0.14 0.00 -0.67 -3.72 0.00 0.00 177.10 172.85 1nqa n ASP 32 N 2.81 0.00 -1.10 -4.21 -0.08 -0.79 -0.47 116.55 112.72 1nqa n ASP 32 Ca -0.14 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.17 1nqa n ASP 32 Cb 0.56 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.15 1nqa n ASP 32 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nqa n LEU 33 N 0.00 2.29 0.00 -2.67 4.77 -1.26 -3.76 117.00 116.37 1nqa n LEU 33 Ca 0.00 -3.33 0.00 0.00 -0.03 0.00 0.00 56.01 52.65 1nqa n LEU 33 Cb 0.00 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1nqa n LEU 33 CO 0.00 1.16 0.00 1.07 -1.33 0.00 0.00 177.39 178.29 1nqa n THR 34 N -0.55 0.00 -3.62 -5.08 5.66 -1.26 -5.10 114.28 104.33 1nqa n THR 34 Ca 0.16 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.96 1nqa n THR 34 Cb 0.86 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.62 1nqa n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1nqa s ASP 36 N 0.94 5.36 0.37 1.09 1.47 -1.26 -4.77 116.67 119.87 1nqa s ASP 36 Ca 0.00 -0.51 0.08 0.00 1.18 0.00 0.00 52.55 53.30 1nqa s ASP 36 Cb 0.00 -0.88 0.81 0.00 -0.34 0.00 0.00 42.92 42.51 1nqa s ASP 36 CO 0.00 -0.48 1.93 0.00 0.68 0.00 0.00 175.17 177.30 1nqa h ALA 37 N 1.08 1.80 -0.45 2.11 0.00 -1.92 -1.92 119.26 119.97 1nqa h ALA 37 Ca -0.44 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1nqa h ALA 37 Cb 1.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1nqa h ALA 37 CO 0.56 0.04 -0.10 -0.97 0.00 0.00 0.00 179.25 178.79 1nqa h ASN 38 N 0.68 0.86 -0.34 0.00 -1.24 -1.93 -0.49 115.58 113.11 1nqa h ASN 38 Ca 0.35 -0.36 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 1nqa h ASN 38 Cb 0.46 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 39.26 1nqa h ASN 38 CO -0.13 1.01 0.10 0.74 -1.29 0.00 0.00 177.43 177.87 1nqa h THR 39 N 0.69 1.21 -0.15 -3.57 2.02 -1.81 -1.89 112.91 109.40 1nqa h THR 39 Ca 0.11 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.54 1nqa h THR 39 Cb 0.63 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 1nqa h THR 39 CO 0.04 0.23 -0.20 -0.07 0.37 0.00 0.00 175.52 175.89 1nqa h LEU 40 N 0.39 0.25 -0.28 2.58 3.38 -1.27 -1.93 115.31 118.43 1nqa h LEU 40 Ca 0.11 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1nqa h LEU 40 Cb 0.26 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1nqa h LEU 40 CO -0.00 0.47 -0.24 0.00 0.09 0.00 0.00 178.44 178.76 1nqa h ALA 41 N 1.56 0.41 -0.38 1.53 0.00 -0.88 -0.79 119.26 120.70 1nqa h ALA 41 Ca 0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1nqa h ALA 41 Cb 0.50 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1nqa h ALA 41 CO 0.03 0.39 0.19 1.25 0.00 0.00 0.00 179.25 181.11 1nqa h HIS 42 N 0.40 0.54 -0.16 0.00 -0.00 -1.11 -0.62 115.15 114.18 1nqa h HIS 42 Ca 0.05 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.34 1nqa h HIS 42 Cb 0.80 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.03 1nqa h HIS 42 CO 0.07 0.44 -0.15 -0.07 -0.00 0.00 0.00 177.93 178.22 1nqa h LEU 43 N 0.48 0.25 -0.32 0.26 3.38 -1.30 -1.74 115.31 116.33 1nqa h LEU 43 Ca 0.13 -0.06 -0.20 0.00 0.09 0.00 0.00 57.88 57.84 1nqa h LEU 43 Cb 0.10 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1nqa h LEU 43 CO -0.02 0.43 -0.80 0.25 0.09 0.00 0.00 178.44 178.40 1nqa h LEU 44 N 0.25 0.53 -0.03 1.67 5.85 -0.67 -3.34 115.31 119.58 1nqa h LEU 44 Ca 0.05 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 1nqa h LEU 44 Cb 0.42 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nqa h LEU 44 CO 0.03 1.13 -0.29 0.11 -0.34 0.00 0.00 178.44 179.07 1nqa h LYS 45 N 0.28 0.25 -4.78 1.25 1.57 -0.84 -3.39 116.57 110.92 1nqa h LYS 45 Ca -0.05 -0.23 -0.68 0.00 -1.87 0.00 0.00 60.65 57.82 1nqa h LYS 45 Cb 1.39 0.06 -0.30 0.00 0.08 0.00 0.00 32.23 33.46 1nqa h LYS 45 CO 0.14 0.91 -0.67 0.71 -0.57 0.00 0.00 179.45 179.97 1nqa s TYR 46 N -3.40 3.20 -0.22 -1.35 2.02 -0.68 -0.90 117.35 116.02 1nqa s TYR 46 Ca -0.15 -1.54 -0.03 0.00 -0.37 0.00 0.00 57.07 54.98 1nqa s TYR 46 Cb 0.02 -2.17 0.00 0.00 -0.40 0.00 0.00 41.96 39.42 1nqa s TYR 46 CO 0.76 -0.73 -0.06 0.34 -1.57 0.00 0.00 175.55 174.29 1nqa s ASP 47 N 1.35 4.20 0.62 2.29 -1.08 -1.15 -4.63 116.67 118.26 1nqa s ASP 47 Ca -0.02 -0.53 0.39 0.00 -0.52 0.00 0.00 52.55 51.87 1nqa s ASP 47 Cb -0.19 -1.70 2.10 0.00 -1.46 0.00 0.00 42.92 41.67 1nqa s ASP 47 CO -0.00 -0.05 2.18 0.28 0.52 0.00 0.00 175.17 178.10 1nqa h SER 48 N 8.08 0.00 0.00 -0.34 0.02 -1.93 -1.52 113.55 117.86 1nqa h SER 48 Ca -0.40 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.22 1nqa h SER 48 Cb 1.15 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.63 1nqa h SER 48 CO 0.60 0.00 -2.14 0.52 -1.14 0.00 0.00 176.83 174.68 1nqa n VAL 49 N -2.92 1.12 -0.74 2.27 0.31 -1.26 -4.72 118.33 112.39 1nqa n VAL 49 Ca -0.03 -0.33 0.08 0.00 -0.01 0.00 0.00 64.34 64.05 1nqa n VAL 49 Cb 0.13 -1.59 0.33 0.00 -0.91 0.00 0.00 33.84 31.80 1nqa n VAL 49 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1nqa n HIS 50 N -3.65 1.40 -2.79 3.52 8.25 -1.22 -5.02 115.22 115.72 1nqa n HIS 50 Ca -0.39 -0.70 0.04 0.00 -0.26 0.00 0.00 57.72 56.42 1nqa n HIS 50 Cb 0.81 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 31.60 1nqa n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqa n GLY 51 N 0.53 -1.78 3.77 -1.41 0.00 -0.57 -4.83 105.19 100.89 1nqa n GLY 51 Ca 0.24 -1.28 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 1nqa n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqa s ARG 52 N -0.73 4.29 0.15 1.61 3.52 -1.26 -2.92 118.95 123.62 1nqa s ARG 52 Ca 0.00 1.94 -0.31 0.00 -0.13 0.00 0.00 55.73 57.24 1nqa s ARG 52 Cb 0.00 -2.92 -0.08 0.00 -1.56 0.00 0.00 34.95 30.39 1nqa s ARG 52 CO 0.00 -0.15 1.38 -1.17 -0.81 0.00 0.00 175.30 174.55 1nqa s LEU 53 N -2.03 4.38 -1.32 -0.88 2.96 -0.08 -4.91 118.68 116.81 1nqa s LEU 53 Ca 0.51 2.40 -0.12 0.00 -0.22 0.00 0.00 54.13 56.70 1nqa s LEU 53 Cb -0.34 -3.60 0.13 0.00 0.50 0.00 0.00 46.19 42.89 1nqa s LEU 53 CO 0.43 -0.63 1.89 -0.67 -1.32 0.00 0.00 176.35 176.05 1nqa n ASP 54 N 3.45 4.80 -3.57 3.68 2.03 -1.26 -4.85 116.55 120.83 1nqa n ASP 54 Ca 0.10 -3.01 -0.05 0.00 0.52 0.00 0.00 54.79 52.34 1nqa n ASP 54 Cb 0.42 -1.55 -0.02 0.00 -0.72 0.00 0.00 41.12 39.25 1nqa n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqa s ALA 55 N 1.50 -1.97 -0.20 -1.67 0.00 -1.26 -5.13 121.76 113.03 1nqa s ALA 55 Ca 0.43 1.26 -0.29 0.00 0.00 0.00 0.00 51.96 53.36 1nqa s ALA 55 Cb 0.09 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.35 1nqa s ALA 55 CO -0.01 -0.68 1.04 -1.21 0.00 0.00 0.00 175.76 174.90 1nqa s GLU 56 N -2.72 4.30 -0.11 0.00 0.41 -1.26 -4.92 118.70 114.40 1nqa s GLU 56 Ca 0.08 1.38 0.01 0.00 -0.41 0.00 0.00 54.97 56.04 1nqa s GLU 56 Cb -0.01 -3.62 0.02 0.00 -1.78 0.00 0.00 34.13 28.74 1nqa s GLU 56 CO -0.06 -0.56 -0.14 0.08 -0.49 0.00 0.00 175.26 174.10 1nqa s VAL 57 N 2.92 1.40 0.35 2.63 1.01 -1.26 -0.97 120.40 126.48 1nqa s VAL 57 Ca 0.46 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1nqa s VAL 57 Cb -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.93 1nqa s VAL 57 CO 0.09 0.42 0.49 -0.94 0.00 0.00 0.00 175.10 175.17 1nqa s SER 58 N 1.06 0.89 0.03 3.32 1.04 -0.23 -4.98 113.70 114.84 1nqa s SER 58 Ca -0.06 -1.48 0.09 0.00 0.48 0.00 0.00 55.95 54.99 1nqa s SER 58 Cb -0.15 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1nqa s SER 58 CO -0.02 -1.32 -0.25 -0.69 0.98 0.00 0.00 173.24 171.93 1nqa s VAL 59 N -3.00 2.03 -0.26 5.02 1.01 -1.26 -0.28 120.40 123.67 1nqa s VAL 59 Ca 0.30 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 1nqa s VAL 59 Cb -0.01 -1.73 0.09 0.00 0.00 0.00 0.00 36.38 34.73 1nqa s VAL 59 CO 0.20 0.38 0.12 0.21 0.00 0.00 0.00 175.10 176.01 1nqa s ASN 60 N -1.09 3.22 1.45 3.32 2.47 0.33 -4.93 114.94 119.71 1nqa s ASN 60 Ca 0.11 -1.11 0.00 0.00 0.42 0.00 0.00 52.86 52.28 1nqa s ASN 60 Cb -0.10 -0.33 0.00 0.00 -1.45 0.00 0.00 41.25 39.38 1nqa s ASN 60 CO 0.01 -0.42 0.00 0.61 -3.72 0.00 0.00 177.10 173.59 1nqa n GLY 61 N 5.25 3.11 1.36 1.21 0.00 -1.26 -1.80 105.19 113.05 1nqa n GLY 61 Ca -0.06 -0.20 0.06 0.00 0.00 0.00 0.00 46.02 45.81 1nqa n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqa n ASN 62 N 8.77 4.52 -4.35 1.61 5.03 -1.26 -4.94 115.26 124.63 1nqa n ASN 62 Ca 0.00 -3.06 -0.18 0.00 0.87 0.00 0.00 54.58 52.21 1nqa n ASN 62 Cb 0.00 -0.62 -0.10 0.00 -1.02 0.00 0.00 39.78 38.04 1nqa n ASN 62 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1nqa s ASN 63 N -1.51 2.38 0.35 6.41 0.02 -0.75 -3.67 114.94 118.18 1nqa s ASN 63 Ca 0.48 -1.10 0.00 0.00 -1.02 0.00 0.00 52.86 51.22 1nqa s ASN 63 Cb 0.38 -0.10 -0.03 0.00 0.02 0.00 0.00 41.25 41.52 1nqa s ASN 63 CO 0.11 -0.30 0.55 -0.76 0.02 0.00 0.00 177.10 176.72 1nqa s LEU 64 N -3.33 4.01 -0.14 0.60 1.43 -0.34 -0.52 118.68 120.40 1nqa s LEU 64 Ca 0.25 0.45 -0.04 0.00 -1.03 0.00 0.00 54.13 53.76 1nqa s LEU 64 Cb 0.02 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 42.98 1nqa s LEU 64 CO 0.08 -0.29 0.07 -0.69 0.23 0.00 0.00 176.35 175.74 1nqa s VAL 65 N -2.31 0.06 -0.18 -1.59 1.01 0.62 -0.47 120.40 117.53 1nqa s VAL 65 Ca 0.40 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.32 1nqa s VAL 65 Cb -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.75 1nqa s VAL 65 CO 0.36 -0.11 -0.19 -0.69 0.00 0.00 0.00 175.10 174.46 1nqa s VAL 66 N 2.08 2.05 -1.60 2.92 1.01 0.17 -1.06 120.40 125.97 1nqa s VAL 66 Ca 0.02 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 1nqa s VAL 66 Cb -0.15 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.47 1nqa s VAL 66 CO -0.07 0.50 0.92 0.59 0.00 0.00 0.00 175.10 177.04 1nqa n ASN 67 N 4.61 -4.35 0.00 3.32 3.02 -0.15 -1.43 115.26 120.29 1nqa n ASN 67 Ca -0.20 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 1nqa n ASN 67 Cb 0.49 -3.49 0.00 0.00 -0.61 0.00 0.00 39.78 36.17 1nqa n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqa n GLY 68 N -1.59 2.89 3.76 7.41 0.00 -1.26 -5.02 105.19 111.37 1nqa n GLY 68 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1nqa n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqa s LYS 69 N -0.12 4.68 -0.07 1.61 -0.14 -0.51 -5.04 119.74 120.14 1nqa s LYS 69 Ca 0.00 1.30 -0.14 0.00 -1.36 0.00 0.00 55.97 55.78 1nqa s LYS 69 Cb 0.00 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1nqa s LYS 69 CO 0.00 0.49 0.35 -2.00 -0.76 0.00 0.00 175.35 173.42 1nqa s GLU 70 N -0.93 3.98 -0.19 1.68 2.12 -1.26 -0.66 118.70 123.45 1nqa s GLU 70 Ca 0.39 0.25 -0.01 0.00 0.36 0.00 0.00 54.97 55.97 1nqa s GLU 70 Cb -0.24 -3.29 0.01 0.00 0.26 0.00 0.00 34.13 30.86 1nqa s GLU 70 CO 0.28 0.53 -0.14 0.42 -0.54 0.00 0.00 175.26 175.81 1nqa s ILE 71 N -0.47 2.58 0.24 -3.70 -1.09 0.38 -4.91 121.20 114.23 1nqa s ILE 71 Ca 0.21 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.56 1nqa s ILE 71 Cb -0.15 -2.12 -0.10 0.00 -1.58 0.00 0.00 42.46 38.51 1nqa s ILE 71 CO 0.09 0.50 1.36 -0.63 -1.23 0.00 0.00 174.94 175.03 1nqa s ILE 72 N 1.32 2.92 -0.20 2.92 1.01 -0.32 -1.20 121.20 127.64 1nqa s ILE 72 Ca 0.04 0.78 -0.02 0.00 0.00 0.00 0.00 60.65 61.45 1nqa s ILE 72 Cb -0.14 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1nqa s ILE 72 CO -0.08 0.13 -0.08 -0.69 0.00 0.00 0.00 174.94 174.21 1nqa s VAL 73 N -0.11 3.09 0.25 2.92 1.01 -1.24 -0.61 120.40 125.71 1nqa s VAL 73 Ca 0.57 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 62.04 1nqa s VAL 73 Cb -0.39 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1nqa s VAL 73 CO 0.42 0.46 0.03 -0.54 0.00 0.00 0.00 175.10 175.47 1nqa s LYS 74 N 1.27 2.41 -0.36 2.72 1.02 0.07 -4.89 119.74 121.98 1nqa s LYS 74 Ca 0.03 -1.32 0.13 0.00 0.02 0.00 0.00 55.97 54.84 1nqa s LYS 74 Cb -0.14 -2.25 0.38 0.00 -0.52 0.00 0.00 37.83 35.30 1nqa s LYS 74 CO -0.04 0.38 0.82 0.00 -0.92 0.00 0.00 175.35 175.60 1nqa n ALA 75 N -0.84 2.29 -2.91 5.17 0.00 -1.26 -1.88 120.51 121.08 1nqa n ALA 75 Ca -0.07 -3.20 -0.37 0.00 0.00 0.00 0.00 53.44 49.80 1nqa n ALA 75 Cb 0.58 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 1nqa n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqa s GLU 76 N -2.48 3.76 0.36 0.00 0.41 -1.25 -4.91 118.70 114.60 1nqa s GLU 76 Ca 0.35 -0.42 0.17 0.00 -0.41 0.00 0.00 54.97 54.65 1nqa s GLU 76 Cb 0.38 -3.40 0.67 0.00 -1.78 0.00 0.00 34.13 29.99 1nqa s GLU 76 CO -0.04 -0.15 1.74 -0.09 -0.49 0.00 0.00 175.26 176.23 1nqa h ARG 77 N 8.14 0.00 -4.59 1.61 2.43 -1.98 -3.40 114.38 116.58 1nqa h ARG 77 Ca -0.37 0.00 -0.70 0.00 -0.81 0.00 0.00 59.98 58.09 1nqa h ARG 77 Cb 1.18 0.00 -0.22 0.00 -0.42 0.00 0.00 29.97 30.51 1nqa h ARG 77 CO 0.58 0.41 -0.48 0.34 -1.51 0.00 0.00 179.97 179.31 1nqa s ASP 78 N -6.58 5.92 0.63 -3.80 -1.08 -1.26 -4.96 116.67 105.54 1nqa s ASP 78 Ca -0.01 -0.82 0.29 0.00 -0.52 0.00 0.00 52.55 51.49 1nqa s ASP 78 Cb 0.12 -2.10 1.54 0.00 -1.46 0.00 0.00 42.92 41.03 1nqa s ASP 78 CO 0.70 -0.37 1.90 1.55 0.52 0.00 0.00 175.17 179.48 1nqa h PRO 79 N 8.52 0.00 0.00 4.34 0.13 -1.95 -1.00 132.00 142.04 1nqa h PRO 79 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1nqa h PRO 79 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1nqa h PRO 79 CO 0.68 0.00 0.00 1.49 -0.23 0.00 0.00 178.00 179.94 1nqa h GLU 80 N 0.00 0.00 -0.52 0.86 4.81 -1.93 -2.67 114.58 115.12 1nqa h GLU 80 Ca 0.09 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1nqa h GLU 80 Cb 0.88 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.22 1nqa h GLU 80 CO -0.00 0.00 0.06 0.09 -0.73 0.00 0.00 179.01 178.43 1nqa n ASN 81 N -2.51 4.89 0.17 1.04 5.03 -0.38 -4.52 115.26 118.98 1nqa n ASN 81 Ca 0.01 -3.07 0.07 0.00 0.87 0.00 0.00 54.58 52.47 1nqa n ASN 81 Cb 0.23 -0.66 0.08 0.00 -1.02 0.00 0.00 39.78 38.40 1nqa n ASN 81 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nqa h LEU 82 N 2.95 0.00 -1.96 3.41 3.38 -1.64 -3.48 115.31 117.97 1nqa h LEU 82 Ca 0.08 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.60 1nqa h LEU 82 Cb 1.92 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.69 1nqa h LEU 82 CO 0.48 0.23 -0.86 0.00 0.09 0.00 0.00 178.44 178.38 1nqa n ALA 83 N -2.18 -2.07 -0.32 1.53 0.00 -1.26 -4.87 120.51 111.35 1nqa n ALA 83 Ca 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1nqa n ALA 83 Cb 0.63 -2.01 0.11 0.00 0.00 0.00 0.00 19.45 18.19 1nqa n ALA 83 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1nqa h TRP 84 N -1.84 1.20 -0.09 0.00 -0.00 -1.47 -2.96 115.95 110.78 1nqa h TRP 84 Ca -0.62 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.27 1nqa h TRP 84 Cb 1.36 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 30.10 1nqa h TRP 84 CO 0.46 0.83 -0.10 0.78 -0.00 0.00 0.00 178.44 180.40 1nqa h GLY 85 N 1.24 -0.04 1.36 1.49 0.00 -1.33 -1.93 103.07 103.86 1nqa h GLY 85 Ca 0.31 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1nqa h GLY 85 CO -0.05 -0.11 0.24 1.18 0.00 0.00 0.00 176.54 177.79 1nqa n GLU 86 N -5.24 0.10 -0.03 4.80 1.02 -1.12 -0.71 120.64 119.45 1nqa n GLU 86 Ca -0.04 0.58 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 1nqa n GLU 86 Cb 0.17 -2.05 0.03 0.00 -0.02 0.00 0.00 31.44 29.57 1nqa n GLU 86 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 1nqa n ILE 87 N -2.07 1.15 -1.27 -3.67 -5.35 -0.88 -5.01 119.36 102.25 1nqa n ILE 87 Ca -0.01 -1.24 -0.08 0.00 -0.27 0.00 0.00 62.75 61.15 1nqa n ILE 87 Cb 0.26 0.34 -0.03 0.00 -1.74 0.00 0.00 39.64 38.47 1nqa n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nqa n GLY 88 N -0.70 0.94 3.66 3.28 0.00 0.11 -5.00 105.19 107.49 1nqa n GLY 88 Ca 0.04 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1nqa n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqa s VAL 89 N -2.30 4.50 -0.16 1.61 1.01 -0.78 -4.64 120.40 119.63 1nqa s VAL 89 Ca 0.00 1.80 0.06 0.00 0.00 0.00 0.00 61.98 63.84 1nqa s VAL 89 Cb 0.00 -4.18 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 1nqa s VAL 89 CO 0.00 -0.18 0.19 0.47 0.00 0.00 0.00 175.10 175.58 1nqa n ASP 90 N 6.50 1.30 -4.14 3.32 8.00 -0.82 -4.27 116.55 126.44 1nqa n ASP 90 Ca 0.13 0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.43 1nqa n ASP 90 Cb 0.46 -0.11 -0.17 0.00 -0.02 0.00 0.00 41.12 41.28 1nqa n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqa s ILE 91 N -2.54 1.83 -0.18 0.53 1.01 -1.13 -0.39 121.20 120.32 1nqa s ILE 91 Ca -0.19 -0.86 -0.03 0.00 0.00 0.00 0.00 60.65 59.57 1nqa s ILE 91 Cb 0.07 -1.62 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 1nqa s ILE 91 CO 0.75 0.51 -0.06 -0.69 0.00 0.00 0.00 174.94 175.45 1nqa s VAL 92 N 0.72 3.47 -0.47 2.92 1.01 0.22 -1.40 120.40 126.87 1nqa s VAL 92 Ca -0.11 -0.48 -0.23 0.00 0.00 0.00 0.00 61.98 61.16 1nqa s VAL 92 Cb -0.16 -2.54 0.03 0.00 0.00 0.00 0.00 36.38 33.71 1nqa s VAL 92 CO 0.02 0.46 0.79 -0.69 0.00 0.00 0.00 175.10 175.68 1nqa s VAL 93 N 0.93 4.63 -0.70 2.92 1.01 0.12 -0.68 120.40 128.62 1nqa s VAL 93 Ca -0.01 0.31 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 1nqa s VAL 93 Cb -0.15 -4.35 0.09 0.00 0.00 0.00 0.00 36.38 31.97 1nqa s VAL 93 CO 0.01 -0.79 0.97 -0.70 0.00 0.00 0.00 175.10 174.58 1nqa s GLU 94 N 3.33 3.20 -0.31 2.72 2.56 0.48 -0.94 118.70 129.74 1nqa s GLU 94 Ca 0.28 -1.07 0.13 0.00 0.00 0.00 0.00 54.97 54.31 1nqa s GLU 94 Cb -0.13 -4.37 0.47 0.00 2.00 0.00 0.00 34.13 32.10 1nqa s GLU 94 CO 0.21 -1.78 1.12 -1.13 -0.56 0.00 0.00 175.26 173.12 1nqa n SER 95 N 7.34 3.45 -0.03 -1.70 3.41 0.51 -1.75 113.62 124.85 1nqa n SER 95 Ca 0.01 -3.11 -0.06 0.00 -0.26 0.00 0.00 58.87 55.45 1nqa n SER 95 Cb 0.46 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 1nqa n SER 95 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nqa n THR 96 N -0.55 1.38 -0.33 6.66 -2.24 -1.07 -4.52 114.28 113.62 1nqa n THR 96 Ca 0.28 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 1nqa n THR 96 Cb 0.84 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1nqa n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqa n GLY 97 N 1.56 0.86 0.00 3.38 0.00 -1.26 -4.90 105.19 104.83 1nqa n GLY 97 Ca -0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1nqa n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqa n ARG 98 N -2.00 1.31 -2.67 1.61 1.74 -1.26 -4.64 116.66 110.75 1nqa n ARG 98 Ca 0.00 -0.04 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 1nqa n ARG 98 Cb 0.00 -1.30 -0.02 0.00 -1.02 0.00 0.00 32.46 30.12 1nqa n ARG 98 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nqa n PHE 99 N -1.58 3.64 1.25 -1.55 3.72 -1.26 -4.77 117.46 116.91 1nqa n PHE 99 Ca 0.01 -3.47 0.13 0.00 -0.05 0.00 0.00 57.45 54.07 1nqa n PHE 99 Cb 0.31 -0.25 0.47 0.00 -0.94 0.00 0.00 39.48 39.06 1nqa n PHE 99 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1nqa n THR 100 N -0.38 0.00 -3.21 4.37 -2.24 -1.26 -3.73 114.28 107.83 1nqa n THR 100 Ca 0.35 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.67 1nqa n THR 100 Cb 0.55 0.11 -0.06 0.00 -2.10 0.00 0.00 70.33 68.84 1nqa n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nqa s LYS 101 N -2.60 4.29 0.21 -0.78 1.02 -1.26 -1.52 119.74 119.09 1nqa s LYS 101 Ca 0.23 0.79 -0.10 0.00 0.02 0.00 0.00 55.97 56.92 1nqa s LYS 101 Cb 0.19 -3.28 0.26 0.00 -0.52 0.00 0.00 37.83 34.48 1nqa s LYS 101 CO 0.53 0.52 1.75 -0.09 -0.92 0.00 0.00 175.35 177.14 1nqa h ARG 102 N 4.95 0.41 -0.85 1.68 2.43 -1.48 -0.63 114.38 120.88 1nqa h ARG 102 Ca -0.48 -0.02 0.18 0.00 -0.81 0.00 0.00 59.98 58.85 1nqa h ARG 102 Cb 1.21 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.60 1nqa h ARG 102 CO 0.66 0.27 0.57 1.05 -1.51 0.00 0.00 179.97 181.01 1nqa h GLU 103 N 0.42 0.42 0.02 0.20 4.11 -1.93 0.40 114.58 118.23 1nqa h GLU 103 Ca 0.30 -0.03 -0.04 0.00 0.07 0.00 0.00 59.36 59.66 1nqa h GLU 103 Cb 0.35 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1nqa h GLU 103 CO -0.29 0.28 -0.20 -0.44 0.07 0.00 0.00 179.01 178.43 1nqa h ASP 104 N 0.44 0.07 0.02 3.06 3.32 -1.55 -3.33 116.42 118.46 1nqa h ASP 104 Ca 0.44 -0.97 -0.03 0.00 0.02 0.00 0.00 57.03 56.49 1nqa h ASP 104 Cb 1.02 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.54 1nqa h ASP 104 CO -0.16 1.09 -0.06 0.00 -1.72 0.00 0.00 179.24 178.38 1nqa h ALA 105 N -0.01 1.73 0.00 3.45 0.00 -0.70 -1.75 119.26 121.99 1nqa h ALA 105 Ca -0.04 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1nqa h ALA 105 Cb 1.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1nqa h ALA 105 CO 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 179.25 179.46 1nqa h ALA 106 N 1.81 1.07 -0.19 0.00 0.00 -0.31 -2.09 119.26 119.55 1nqa h ALA 106 Ca 0.03 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1nqa h ALA 106 Cb 0.20 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nqa h ALA 106 CO 0.01 0.00 0.16 0.87 0.00 0.00 0.00 179.25 180.29 1nqa h LYS 107 N 0.00 0.00 -0.36 0.00 1.57 -1.44 0.86 116.57 117.20 1nqa h LYS 107 Ca -0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1nqa h LYS 107 Cb 0.05 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1nqa h LYS 107 CO 0.00 0.00 -0.12 0.45 -0.57 0.00 0.00 179.45 179.22 1nqa h HIS 108 N 0.00 0.68 -0.22 -1.35 3.86 -1.58 -0.79 115.15 115.75 1nqa h HIS 108 Ca 0.09 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.14 1nqa h HIS 108 Cb 0.41 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.69 1nqa h HIS 108 CO 0.00 0.72 -0.05 -0.07 0.86 0.00 0.00 177.93 179.39 1nqa h LEU 109 N 0.58 0.43 -2.20 2.43 3.38 -1.02 -1.23 115.31 117.67 1nqa h LEU 109 Ca 0.10 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.72 1nqa h LEU 109 Cb 0.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1nqa h LEU 109 CO 0.03 0.69 0.04 -0.33 0.09 0.00 0.00 178.44 178.97 1nqa h GLU 110 N 0.16 0.00 -0.04 1.13 5.08 -1.07 0.18 114.58 120.01 1nqa h GLU 110 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1nqa h GLU 110 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1nqa h GLU 110 CO 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 1nqa n ALA 111 N -2.44 2.61 0.00 3.43 0.00 -0.33 -4.89 120.51 118.88 1nqa n ALA 111 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1nqa n ALA 111 Cb 0.14 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1nqa n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqa n GLY 112 N 0.96 0.71 3.87 0.00 0.00 0.63 -1.18 105.19 110.18 1nqa n GLY 112 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1nqa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqa s ALA 113 N -2.00 3.22 -0.19 4.61 0.00 -0.52 -3.63 121.76 123.24 1nqa s ALA 113 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 51.96 51.95 1nqa s ALA 113 Cb 0.00 -2.90 -0.22 0.00 0.00 0.00 0.00 23.12 20.00 1nqa s ALA 113 CO 0.00 -0.28 0.08 1.63 0.00 0.00 0.00 175.76 177.19 1nqa n LYS 114 N -1.84 0.68 -4.11 0.00 5.02 0.48 -4.30 118.16 114.08 1nqa n LYS 114 Ca 0.04 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.30 1nqa n LYS 114 Cb 0.54 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.85 1nqa n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nqa s LYS 115 N -2.52 0.50 -0.12 1.97 -0.14 0.31 -4.85 119.74 114.90 1nqa s LYS 115 Ca -0.19 -0.55 0.01 0.00 -1.36 0.00 0.00 55.97 53.88 1nqa s LYS 115 Cb 0.07 -0.36 0.02 0.00 -1.68 0.00 0.00 37.83 35.89 1nqa s LYS 115 CO 0.75 0.08 -0.12 0.08 -0.76 0.00 0.00 175.35 175.38 1nqa s VAL 116 N -0.90 1.33 -0.39 3.17 1.01 -0.11 -0.61 120.40 123.89 1nqa s VAL 116 Ca -0.05 -0.50 -0.10 0.00 0.00 0.00 0.00 61.98 61.32 1nqa s VAL 116 Cb -0.07 -1.26 0.04 0.00 0.00 0.00 0.00 36.38 35.09 1nqa s VAL 116 CO 0.00 0.41 0.22 -0.63 0.00 0.00 0.00 175.10 175.11 1nqa s ILE 117 N 1.36 4.47 -0.21 2.22 1.01 0.14 -0.44 121.20 129.75 1nqa s ILE 117 Ca 0.00 -1.03 -0.28 0.00 0.00 0.00 0.00 60.65 59.34 1nqa s ILE 117 Cb -0.13 -3.57 0.00 0.00 0.01 0.00 0.00 42.46 38.77 1nqa s ILE 117 CO -0.06 -0.32 1.00 -0.63 0.00 0.00 0.00 174.94 174.93 1nqa s ILE 118 N 1.51 4.72 -0.04 2.92 1.01 0.11 -0.39 121.20 131.05 1nqa s ILE 118 Ca 0.02 1.97 -0.04 0.00 0.00 0.00 0.00 60.65 62.60 1nqa s ILE 118 Cb -0.20 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 37.84 1nqa s ILE 118 CO 0.05 -0.13 2.99 -1.54 0.00 0.00 0.00 174.94 176.31 1nqa n SER 119 N 6.02 5.39 -3.62 3.58 3.41 -0.72 -1.38 113.62 126.29 1nqa n SER 119 Ca 0.10 -2.52 0.03 0.00 -0.26 0.00 0.00 58.87 56.23 1nqa n SER 119 Cb 0.47 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 1nqa n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqa s ALA 120 N 0.42 -2.45 0.59 7.33 0.00 -1.17 -4.89 121.76 121.59 1nqa s ALA 120 Ca 0.43 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.97 1nqa s ALA 120 Cb 0.21 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1nqa s ALA 120 CO -0.01 -1.07 1.12 -2.30 0.00 0.00 0.00 175.76 173.49 1nqa n PRO 121 N -0.56 1.11 -4.49 0.00 -0.02 -1.25 -4.01 135.00 125.79 1nqa n PRO 121 Ca -0.08 0.43 -0.25 0.00 -2.02 0.00 0.00 63.50 61.58 1nqa n PRO 121 Cb 0.63 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.71 1nqa n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqa s ALA 122 N -1.43 2.82 -0.15 3.55 0.00 -1.26 -4.91 121.76 120.38 1nqa s ALA 122 Ca 0.76 -1.30 0.01 0.00 0.00 0.00 0.00 51.96 51.43 1nqa s ALA 122 Cb -0.42 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.58 1nqa s ALA 122 CO 0.46 -0.38 -0.16 0.15 0.00 0.00 0.00 175.76 175.83 1nqa s LYS 122 N -3.66 2.51 -1.38 0.00 3.01 -0.58 -4.72 119.74 114.92 1nqa s LYS 122 Ca 0.25 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.57 1nqa s LYS 122 Cb 0.02 -2.21 0.00 0.00 -1.01 0.00 0.00 37.83 34.63 1nqa s LYS 122 CO 0.16 -0.19 0.00 0.09 0.51 0.00 0.00 175.35 175.92 1nqa n ASN 123 N 4.61 -4.55 -4.75 2.83 3.02 -1.26 -1.33 115.26 113.83 1nqa n ASN 123 Ca -0.18 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.26 1nqa n ASN 123 Cb 0.50 -3.41 0.06 0.00 -0.61 0.00 0.00 39.78 36.33 1nqa n ASN 123 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1nqa s GLU 124 N -3.66 2.55 0.41 3.52 1.03 -1.26 -4.68 118.70 116.62 1nqa s GLU 124 Ca 0.00 1.63 0.14 0.00 0.03 0.00 0.00 54.97 56.76 1nqa s GLU 124 Cb 0.00 -1.90 0.88 0.00 -0.80 0.00 0.00 34.13 32.31 1nqa s GLU 124 CO 0.00 -1.49 1.92 -0.44 -1.33 0.00 0.00 175.26 173.92 1nqa h ASP 125 N 0.06 0.00 -3.71 0.83 3.32 -1.16 -3.45 116.42 112.30 1nqa h ASP 125 Ca -0.48 0.00 0.14 0.00 0.02 0.00 0.00 57.03 56.72 1nqa h ASP 125 Cb 1.28 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.58 1nqa h ASP 125 CO 0.52 0.27 0.71 -0.51 -1.72 0.00 0.00 179.24 178.51 1nqa s ILE 126 N -4.42 0.00 -0.14 0.35 2.07 -1.24 -4.96 121.20 112.86 1nqa s ILE 126 Ca -0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.19 1nqa s ILE 126 Cb 0.15 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.72 1nqa s ILE 126 CO 0.71 0.00 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.77 1nqa s THR 127 N -1.06 3.50 0.02 4.00 2.01 -1.26 -1.21 115.64 121.63 1nqa s THR 127 Ca 0.02 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.59 1nqa s THR 127 Cb -0.01 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 1nqa s THR 127 CO -0.02 0.51 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.59 1nqa s ILE 128 N 0.34 1.57 -0.22 1.82 1.01 0.26 -4.70 121.20 121.27 1nqa s ILE 128 Ca -0.07 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.55 1nqa s ILE 128 Cb -0.15 -1.34 0.06 0.00 0.01 0.00 0.00 42.46 41.04 1nqa s ILE 128 CO 0.04 0.28 -0.05 -0.69 0.00 0.00 0.00 174.94 174.52 1nqa s VAL 129 N -0.66 1.45 0.17 2.92 1.01 -1.26 -4.14 120.40 119.89 1nqa s VAL 129 Ca 0.07 -1.12 -0.34 0.00 0.00 0.00 0.00 61.98 60.60 1nqa s VAL 129 Cb -0.08 -1.71 -0.14 0.00 0.00 0.00 0.00 36.38 34.45 1nqa s VAL 129 CO 0.01 -0.06 1.54 0.23 0.00 0.00 0.00 175.10 176.81 1nqa n MET 130 N 4.71 2.08 -0.03 2.72 0.00 -1.26 -0.82 117.12 124.53 1nqa n MET 130 Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 57.70 58.33 1nqa n MET 130 Cb 0.45 -2.50 0.00 0.00 0.00 0.00 0.00 33.22 31.17 1nqa n MET 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nqa n GLY 131 N 3.16 0.75 0.28 3.03 0.00 -1.26 -4.86 105.19 106.29 1nqa n GLY 131 Ca 0.16 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 1nqa n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqa n VAL 132 N -2.00 0.11 -2.11 1.61 0.31 0.00 -4.97 118.33 111.29 1nqa n VAL 132 Ca 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 64.34 64.26 1nqa n VAL 132 Cb 0.00 -0.85 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 1nqa n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nqa n ASN 133 N -2.71 -0.32 0.30 4.52 6.94 -1.02 -4.90 115.26 118.08 1nqa n ASN 133 Ca -0.04 -1.84 0.18 0.00 -0.02 0.00 0.00 54.58 52.87 1nqa n ASN 133 Cb 0.53 0.08 0.97 0.00 -2.36 0.00 0.00 39.78 39.01 1nqa n ASN 133 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1nqa h GLN 134 N 0.23 0.00 0.00 -3.83 -0.00 -1.94 -0.29 115.11 109.28 1nqa h GLN 134 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1nqa h GLN 134 Cb 1.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.93 1nqa h GLN 134 CO -0.13 0.03 0.00 0.38 -0.00 0.00 0.00 178.83 179.10 1nqa h ASP 135 N 0.00 0.00 0.87 0.06 2.03 -1.95 -0.68 116.42 116.75 1nqa h ASP 135 Ca -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nqa h ASP 135 Cb 0.15 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.65 1nqa h ASP 135 CO 0.00 0.00 -0.18 0.29 -1.03 0.00 0.00 179.24 178.32 1nqa n LYS 136 N -2.64 0.03 -1.94 4.15 4.76 -0.12 -4.85 118.16 117.55 1nqa n LYS 136 Ca -0.01 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.02 1nqa n LYS 136 Cb 0.11 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.75 1nqa n LYS 136 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1nqa s TYR 137 N -3.01 2.50 -0.33 2.13 5.04 -0.26 -4.98 117.35 118.44 1nqa s TYR 137 Ca 0.13 0.37 -0.02 0.00 -2.44 0.00 0.00 57.07 55.11 1nqa s TYR 137 Cb 0.18 -3.94 0.06 0.00 0.35 0.00 0.00 41.96 38.61 1nqa s TYR 137 CO 0.59 -3.75 0.06 0.34 -1.34 0.00 0.00 175.55 171.45 1nqa s ASP 138 N 2.27 5.02 0.59 4.32 -1.08 -1.26 -5.00 116.67 121.53 1nqa s ASP 138 Ca 0.73 -1.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.58 1nqa s ASP 138 Cb -0.40 -1.76 1.57 0.00 -1.46 0.00 0.00 42.92 40.88 1nqa s ASP 138 CO 0.32 -0.34 2.00 1.55 0.52 0.00 0.00 175.17 179.22 1nqa h PRO 138 N 8.02 0.00 0.00 4.34 0.13 -1.90 -0.03 132.00 142.56 1nqa h PRO 138 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1nqa h PRO 138 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1nqa h PRO 138 CO 0.58 0.00 -0.82 0.87 -0.23 0.00 0.00 178.00 178.40 1nqa h LYS 139 N 0.00 0.00 -0.00 0.86 1.79 -1.94 -3.38 116.57 113.89 1nqa h LYS 139 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1nqa h LYS 139 Cb 0.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.47 1nqa h LYS 139 CO -0.00 0.00 -0.02 0.00 -1.08 0.00 0.00 179.45 178.35 1nqa n ALA 140 N -1.95 2.24 -3.75 3.86 0.00 -0.79 -4.98 120.51 115.14 1nqa n ALA 140 Ca 0.02 -0.19 -0.34 0.00 0.00 0.00 0.00 53.44 52.92 1nqa n ALA 140 Cb 0.48 -0.03 -0.14 0.00 0.00 0.00 0.00 19.45 19.76 1nqa n ALA 140 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nqa s HIS 141 N -0.72 3.26 -0.05 0.00 3.76 -0.09 -4.92 115.29 116.53 1nqa s HIS 141 Ca 0.01 -1.98 0.02 0.00 -0.15 0.00 0.00 55.06 52.96 1nqa s HIS 141 Cb 0.01 -2.06 -0.05 0.00 1.11 0.00 0.00 32.58 31.59 1nqa s HIS 141 CO 0.02 -0.82 -0.02 0.72 -0.85 0.00 0.00 174.74 173.80 1nqa n HIS 142 N 4.57 0.00 -3.76 1.40 -0.00 -1.26 -4.78 115.22 111.39 1nqa n HIS 142 Ca -0.13 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.21 1nqa n HIS 142 Cb 0.43 -0.23 -0.12 0.00 -0.00 0.00 0.00 29.99 30.08 1nqa n HIS 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nqa s VAL 143 N -2.11 3.51 -0.06 1.59 1.01 -1.26 -0.94 120.40 122.14 1nqa s VAL 143 Ca -0.05 -1.62 0.03 0.00 0.00 0.00 0.00 61.98 60.34 1nqa s VAL 143 Cb 0.02 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1nqa s VAL 143 CO 0.16 -0.44 -0.15 -0.63 0.00 0.00 0.00 175.10 174.04 1nqa s ILE 144 N 1.27 3.02 -0.13 2.22 1.09 0.41 -0.49 121.20 128.59 1nqa s ILE 144 Ca 0.03 -0.73 -0.07 0.00 -1.10 0.00 0.00 60.65 58.77 1nqa s ILE 144 Cb -0.22 -2.18 -0.04 0.00 -1.06 0.00 0.00 42.46 38.96 1nqa s ILE 144 CO -0.01 0.58 0.13 -0.55 -0.10 0.00 0.00 174.94 175.00 1nqa s SER 145 N -0.61 6.31 -0.15 3.58 0.15 -0.35 0.07 113.70 122.70 1nqa s SER 145 Ca 0.09 0.43 0.17 0.00 0.70 0.00 0.00 55.95 57.34 1nqa s SER 145 Cb -0.11 -2.04 0.73 0.00 -1.71 0.00 0.00 66.02 62.89 1nqa s SER 145 CO 0.01 0.39 1.65 -3.20 1.20 0.00 0.00 173.24 173.29 1nqa n ASN 146 N 2.13 4.95 -0.47 5.45 4.05 -0.48 -0.57 115.26 130.32 1nqa n ASN 146 Ca -0.20 -2.59 0.00 0.00 0.45 0.00 0.00 54.58 52.25 1nqa n ASN 146 Cb 0.55 -0.60 0.00 0.00 1.23 0.00 0.00 39.78 40.96 1nqa n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nqa n ALA 147 N 0.92 0.00 -2.23 5.20 0.00 -1.26 -4.80 120.51 118.34 1nqa n ALA 147 Ca 0.26 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.52 1nqa n ALA 147 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.42 1nqa n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nqa s SER 148 N -4.00 5.79 0.26 0.00 1.04 -1.26 -3.04 113.70 112.49 1nqa s SER 148 Ca 0.00 -0.26 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1nqa s SER 148 Cb 0.00 -0.97 0.35 0.00 0.10 0.00 0.00 66.02 65.50 1nqa s SER 148 CO 0.00 -0.63 1.73 0.00 0.98 0.00 0.00 173.24 175.32 1nqa h ALA 149 N 0.72 1.08 -0.52 5.32 0.00 -1.89 -2.00 119.26 121.97 1nqa h ALA 149 Ca -0.43 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1nqa h ALA 149 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1nqa h ALA 149 CO 0.49 0.57 0.20 1.15 0.00 0.00 0.00 179.25 181.66 1nqa h THR 150 N 0.61 1.22 -0.18 0.00 2.02 -1.96 -1.54 112.91 113.09 1nqa h THR 150 Ca 0.11 -0.70 -0.10 0.00 0.77 0.00 0.00 66.41 66.49 1nqa h THR 150 Cb 0.56 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1nqa h THR 150 CO 0.04 0.26 -0.33 0.74 0.37 0.00 0.00 175.52 176.60 1nqa h THR 151 N 0.70 1.28 0.00 3.16 2.02 -1.80 -0.61 112.91 117.67 1nqa h THR 151 Ca 0.17 -1.38 -0.02 0.00 0.77 0.00 0.00 66.41 65.95 1nqa h THR 151 Cb 0.22 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1nqa h THR 151 CO -0.01 0.43 -0.10 0.78 0.37 0.00 0.00 175.52 176.98 1nqa h ASN 152 N 0.32 0.00 0.09 4.18 4.21 -0.90 -0.98 115.58 122.51 1nqa h ASN 152 Ca 0.04 0.00 -0.21 0.00 1.21 0.00 0.00 56.30 57.34 1nqa h ASN 152 Cb 0.74 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.94 1nqa h ASN 152 CO 0.06 0.10 -1.06 0.00 -1.29 0.00 0.00 177.43 175.24 1nqa h LEU 154 N -0.50 -0.13 -0.72 0.00 5.85 -1.01 -3.37 115.31 115.42 1nqa h LEU 154 Ca -0.23 -0.39 0.16 0.00 0.84 0.00 0.00 57.88 58.26 1nqa h LEU 154 Cb 1.58 0.03 -0.13 0.00 0.37 0.00 0.00 40.66 42.51 1nqa h LEU 154 CO 0.04 0.37 -0.00 0.00 -0.34 0.00 0.00 178.44 178.51 1nqa h ALA 155 N 0.08 0.73 -0.64 1.25 0.00 -1.41 -1.16 119.26 118.11 1nqa h ALA 155 Ca -0.02 0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1nqa h ALA 155 Cb 0.52 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.66 1nqa h ALA 155 CO 0.03 -0.41 0.35 -1.35 0.00 0.00 0.00 179.25 177.86 1nqa h PRO 156 N 0.10 0.63 0.00 0.00 0.11 -1.77 0.01 132.00 131.09 1nqa h PRO 156 Ca 0.39 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.46 1nqa h PRO 156 Cb 0.67 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.64 1nqa h PRO 156 CO -0.64 0.42 -0.77 0.27 -0.21 0.00 0.00 178.00 177.07 1nqa h PHE 157 N 0.65 0.00 -0.17 0.65 -5.15 -1.67 -3.07 116.94 108.19 1nqa h PHE 157 Ca 0.29 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.92 1nqa h PHE 157 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.34 1nqa h PHE 157 CO -0.08 0.00 -0.47 0.00 -2.00 0.00 0.00 178.31 175.76 1nqa h ALA 158 N 2.09 0.89 -0.62 12.09 0.00 -0.97 -1.08 119.26 131.66 1nqa h ALA 158 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 1nqa h ALA 158 Cb 0.95 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1nqa h ALA 158 CO 0.00 0.65 0.26 -0.22 0.00 0.00 0.00 179.25 179.95 1nqa h LYS 159 N 0.34 0.92 -0.17 0.00 3.64 -1.00 -1.15 116.57 119.15 1nqa h LYS 159 Ca 0.02 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 1nqa h LYS 159 Cb 0.95 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 1nqa h LYS 159 CO 0.08 0.77 -0.02 0.28 -2.27 0.00 0.00 179.45 178.30 1nqa h VAL 160 N 0.87 1.27 -0.87 2.00 2.07 -1.36 -2.22 116.25 118.00 1nqa h VAL 160 Ca 0.21 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1nqa h VAL 160 Cb 0.18 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 1nqa h VAL 160 CO -0.02 0.27 0.44 -0.07 0.02 0.00 0.00 177.57 178.21 1nqa h LEU 161 N 0.05 1.13 -0.18 2.57 3.38 -1.12 -1.46 115.31 119.68 1nqa h LEU 161 Ca 0.05 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1nqa h LEU 161 Cb 0.42 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nqa h LEU 161 CO 0.01 0.93 -0.16 -0.74 0.09 0.00 0.00 178.44 178.57 1nqa h HIS 162 N 1.24 0.51 -0.38 1.13 2.76 -1.19 0.10 115.15 119.32 1nqa h HIS 162 Ca 0.30 -0.15 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 1nqa h HIS 162 Cb 0.09 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.92 1nqa h HIS 162 CO 0.01 0.79 -0.11 0.93 -1.30 0.00 0.00 177.93 178.25 1nqa h GLU 163 N 0.08 0.66 0.13 5.26 5.08 -1.33 0.19 114.58 124.64 1nqa h GLU 163 Ca 0.03 -0.20 -0.27 0.00 -1.00 0.00 0.00 59.36 57.92 1nqa h GLU 163 Cb 0.70 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.89 1nqa h GLU 163 CO 0.04 0.75 -1.34 1.96 -1.00 0.00 0.00 179.01 179.43 1nqa h GLN 164 N 0.60 0.27 0.00 2.33 1.08 -1.28 -3.42 115.11 114.69 1nqa h GLN 164 Ca 0.11 -0.45 0.00 0.00 -1.45 0.00 0.00 58.65 56.85 1nqa h GLN 164 Cb 0.54 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 28.14 1nqa h GLN 164 CO 0.03 1.22 -0.86 1.19 -0.95 0.00 0.00 178.83 179.46 1nqa n PHE 165 N -3.94 0.00 -0.88 2.96 3.72 0.28 -5.01 117.46 114.60 1nqa n PHE 165 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1nqa n PHE 165 Cb 0.90 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.43 1nqa n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqa n GLY 166 N 2.22 -3.15 3.65 1.37 0.00 0.66 -2.64 105.19 107.30 1nqa n GLY 166 Ca -0.00 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 1nqa n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqa s ILE 167 N -0.02 5.07 -0.13 -0.61 1.01 -1.26 -0.38 121.20 124.88 1nqa s ILE 167 Ca 0.00 0.99 -0.27 0.00 0.00 0.00 0.00 60.65 61.37 1nqa s ILE 167 Cb 0.00 -3.86 -0.24 0.00 0.01 0.00 0.00 42.46 38.37 1nqa s ILE 167 CO 0.00 0.13 0.73 0.58 0.00 0.00 0.00 174.94 176.37 1nqa h VAL 168 N 5.24 1.66 -1.91 2.92 2.07 -1.05 -3.48 116.25 121.70 1nqa h VAL 168 Ca -0.31 -2.22 0.11 0.00 0.82 0.00 0.00 66.70 65.09 1nqa h VAL 168 Cb 1.15 3.13 -0.19 0.00 -1.52 0.00 0.00 31.29 33.85 1nqa h VAL 168 CO 0.74 0.56 0.54 0.00 0.02 0.00 0.00 177.57 179.43 1nqa s ARG 169 N -2.22 0.69 0.19 1.57 1.70 -1.22 -4.82 118.95 114.83 1nqa s ARG 169 Ca -0.18 -0.09 -0.22 0.00 -0.47 0.00 0.00 55.73 54.77 1nqa s ARG 169 Cb -0.03 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.73 1nqa s ARG 169 CO 0.64 -0.27 0.62 0.20 -1.08 0.00 0.00 175.30 175.41 1nqa s GLY 170 N -1.86 -0.48 0.01 3.88 0.00 0.12 -0.67 107.32 108.31 1nqa s GLY 170 Ca 0.02 0.28 0.04 0.00 0.00 0.00 0.00 44.72 45.06 1nqa s GLY 170 CO -0.04 0.08 -0.12 1.06 0.00 0.00 0.00 173.10 174.08 1nqa s MET 171 N -3.79 0.88 0.13 2.90 -1.94 0.12 -2.39 119.30 115.21 1nqa s MET 171 Ca 0.04 -0.55 0.05 0.00 -1.71 0.00 0.00 55.69 53.51 1nqa s MET 171 Cb -0.02 -0.86 -0.04 0.00 2.01 0.00 0.00 34.83 35.92 1nqa s MET 171 CO -0.08 0.22 -0.11 0.00 -0.01 0.00 0.00 175.02 175.04 1nqa s MET 172 N -0.68 0.99 -0.02 2.03 0.23 -0.37 -0.87 119.30 120.61 1nqa s MET 172 Ca 0.02 -1.32 0.01 0.00 -1.03 0.00 0.00 55.69 53.37 1nqa s MET 172 Cb -0.06 -0.65 0.02 0.00 -1.53 0.00 0.00 34.83 32.60 1nqa s MET 172 CO 0.00 0.10 -0.01 0.99 -2.03 0.00 0.00 175.02 174.06 1nqa s THR 173 N -2.81 0.24 -0.26 3.16 2.01 -0.56 -1.28 115.64 116.14 1nqa s THR 173 Ca 0.12 -0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.07 1nqa s THR 173 Cb -0.01 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.22 1nqa s THR 173 CO 0.01 0.13 -0.01 0.28 -0.69 0.00 0.00 174.62 174.34 1nqa s THR 174 N 0.67 3.42 -0.61 -0.82 -1.32 -0.72 -1.03 115.64 115.22 1nqa s THR 174 Ca -0.07 -0.74 -0.26 0.00 -1.21 0.00 0.00 61.69 59.41 1nqa s THR 174 Cb -0.10 -2.69 0.04 0.00 -1.51 0.00 0.00 72.50 68.24 1nqa s THR 174 CO -0.01 0.23 1.12 -0.69 -2.21 0.00 0.00 174.62 173.06 1nqa s VAL 175 N 1.44 4.09 -0.06 5.08 1.01 -0.52 -0.90 120.40 130.53 1nqa s VAL 175 Ca 0.03 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1nqa s VAL 175 Cb -0.16 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.48 1nqa s VAL 175 CO -0.02 -1.40 -0.10 -2.28 0.00 0.00 0.00 175.10 171.30 1nqa s HIS 176 N 4.76 2.84 0.73 5.22 5.04 -0.06 -1.36 115.29 132.46 1nqa s HIS 176 Ca 0.36 -0.06 -0.14 0.00 -1.54 0.00 0.00 55.06 53.68 1nqa s HIS 176 Cb -0.10 -1.68 0.04 0.00 0.04 0.00 0.00 32.58 30.88 1nqa s HIS 176 CO 0.20 0.27 1.15 -1.12 -2.34 0.00 0.00 174.74 172.90 1nqa s SER 177 N -0.76 4.41 0.71 9.88 0.01 -1.24 -1.27 113.70 125.45 1nqa s SER 177 Ca 0.12 2.15 -0.13 0.00 1.31 0.00 0.00 55.95 59.40 1nqa s SER 177 Cb -0.11 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1nqa s SER 177 CO 0.01 -2.10 1.10 -0.72 0.41 0.00 0.00 173.24 171.93 1nqa s TYR 178 N -2.28 2.64 0.41 2.43 -0.85 -0.64 -4.74 117.35 114.32 1nqa s TYR 178 Ca 0.69 1.54 0.04 0.00 -0.52 0.00 0.00 57.07 58.83 1nqa s TYR 178 Cb -0.24 -3.09 -0.02 0.00 0.38 0.00 0.00 41.96 38.99 1nqa s TYR 178 CO 0.46 -1.69 0.14 0.95 -1.52 0.00 0.00 175.55 173.89 1nqa s THR 179 N -2.64 0.57 -1.62 -3.49 -4.23 -1.26 -4.72 115.64 98.25 1nqa s THR 179 Ca 0.64 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 59.29 1nqa s THR 179 Cb -0.18 -2.34 0.30 0.00 1.34 0.00 0.00 72.50 71.62 1nqa s THR 179 CO 0.49 0.00 1.35 0.59 -0.54 0.00 0.00 174.62 176.51 1nqa n ASN 180 N -1.34 0.00 -0.06 3.99 3.02 -1.26 -2.04 115.26 117.57 1nqa n ASN 180 Ca -0.06 -0.10 0.13 0.00 -0.03 0.00 0.00 54.58 54.53 1nqa n ASN 180 Cb 0.65 -0.19 0.50 0.00 -0.61 0.00 0.00 39.78 40.13 1nqa n ASN 180 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nqa n ASP 181 N -1.19 0.37 -2.57 6.41 2.03 -1.26 -4.87 116.55 115.48 1nqa n ASP 181 Ca 0.08 -0.20 -0.05 0.00 0.52 0.00 0.00 54.79 55.14 1nqa n ASP 181 Cb 0.09 -0.09 0.03 0.00 -0.72 0.00 0.00 41.12 40.42 1nqa n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqa n GLN 182 N -1.24 0.50 -4.93 -0.67 6.02 -0.87 -4.97 117.38 111.23 1nqa n GLN 182 Ca 0.10 -0.61 -0.26 0.00 -0.01 0.00 0.00 57.00 56.22 1nqa n GLN 182 Cb 0.31 -0.14 -0.16 0.00 1.02 0.00 0.00 30.24 31.28 1nqa n GLN 182 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nqa s ARG 183 N -2.94 1.62 0.11 -1.09 1.81 -1.18 -5.03 118.95 112.25 1nqa s ARG 183 Ca 0.14 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.19 1nqa s ARG 183 Cb -0.01 -1.53 -0.09 0.00 -0.45 0.00 0.00 34.95 32.87 1nqa s ARG 183 CO 0.10 0.39 1.62 0.82 -0.68 0.00 0.00 175.30 177.54 1nqa h ILE 184 N 4.76 0.32 -3.27 1.52 1.08 -1.92 0.41 117.51 120.42 1nqa h ILE 184 Ca -0.37 0.00 -0.38 0.00 -0.39 0.00 0.00 64.86 63.72 1nqa h ILE 184 Cb 1.15 0.32 -0.14 0.00 -3.07 0.00 0.00 36.82 35.08 1nqa h ILE 184 CO 0.48 0.00 -0.66 -0.76 -0.69 0.00 0.00 178.15 176.52 1nqa s LEU 185 N -10.28 2.24 -0.38 1.44 1.43 -1.26 -3.57 118.68 108.30 1nqa s LEU 185 Ca -0.16 -1.20 -0.43 0.00 -1.03 0.00 0.00 54.13 51.31 1nqa s LEU 185 Cb 0.07 -0.30 -0.17 0.00 0.03 0.00 0.00 46.19 45.82 1nqa s LEU 185 CO 0.64 -0.49 1.76 0.47 0.23 0.00 0.00 176.35 178.96 1nqa n ASP 186 N -0.41 1.82 -3.75 2.29 8.00 -1.25 -4.41 116.55 118.85 1nqa n ASP 186 Ca -0.05 1.04 -0.13 0.00 0.71 0.00 0.00 54.79 56.36 1nqa n ASP 186 Cb 0.64 -1.03 -0.08 0.00 -0.02 0.00 0.00 41.12 40.62 1nqa n ASP 186 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1nqa s LEU 187 N 3.81 0.80 0.42 0.64 1.43 -0.22 -4.97 118.68 120.58 1nqa s LEU 187 Ca 1.03 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 53.87 1nqa s LEU 187 Cb -1.25 1.37 -0.11 0.00 0.03 0.00 0.00 46.19 46.23 1nqa s LEU 187 CO 0.71 -0.54 0.97 -2.65 0.23 0.00 0.00 176.35 175.07 1nqa n PRO 188 N 0.92 1.27 -3.57 1.29 -0.02 -1.26 -4.47 135.00 129.15 1nqa n PRO 188 Ca -0.20 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1nqa n PRO 188 Cb 0.58 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 32.01 1nqa n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nqa s HIS 190 N -1.29 -0.62 0.51 6.00 2.46 -1.26 -4.91 115.29 116.19 1nqa s HIS 190 Ca 0.63 1.25 0.18 0.00 0.47 0.00 0.00 55.06 57.60 1nqa s HIS 190 Cb -0.57 0.37 1.28 0.00 -0.13 0.00 0.00 32.58 33.53 1nqa s HIS 190 CO 0.57 -0.45 2.09 1.57 -2.47 0.00 0.00 174.74 176.05 1nqa h LYS 191 N 3.60 0.05 -4.56 2.88 2.10 -1.98 -3.34 116.57 115.31 1nqa h LYS 191 Ca -0.26 -0.00 -0.71 0.00 -2.00 0.00 0.00 60.65 57.67 1nqa h LYS 191 Cb 1.15 -0.01 -0.24 0.00 -0.90 0.00 0.00 32.23 32.23 1nqa h LYS 191 CO 0.25 0.03 -0.49 0.34 -2.00 0.00 0.00 179.45 177.58 1nqa s ASP 192 N -6.75 5.82 0.54 7.07 -1.08 -1.26 -4.96 116.67 116.05 1nqa s ASP 192 Ca -0.05 -1.00 0.36 0.00 -0.52 0.00 0.00 52.55 51.34 1nqa s ASP 192 Cb 0.18 -2.05 1.97 0.00 -1.46 0.00 0.00 42.92 41.55 1nqa s ASP 192 CO 0.70 -0.41 2.12 -0.07 0.52 0.00 0.00 175.17 178.02 1nqa h LEU 193 N 8.48 0.00 0.04 -1.34 3.38 -1.99 -1.63 115.31 122.25 1nqa h LEU 193 Ca -0.26 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 1nqa h LEU 193 Cb 1.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.86 1nqa h LEU 193 CO 0.69 0.00 -0.28 0.03 0.09 0.00 0.00 178.44 178.97 1nqa h ARG 194 N 0.00 0.12 0.00 1.13 2.47 -1.92 -3.27 114.38 112.90 1nqa h ARG 194 Ca 0.00 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 1nqa h ARG 194 Cb 0.02 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1nqa h ARG 194 CO 0.00 1.03 0.00 0.54 0.56 0.00 0.00 179.97 182.10 1nqa n ARG 195 N -4.46 0.02 0.09 0.04 1.74 -0.67 -1.98 116.66 111.43 1nqa n ARG 195 Ca -0.11 0.30 0.13 0.00 -0.77 0.00 0.00 57.85 57.39 1nqa n ARG 195 Cb 0.57 -1.50 0.45 0.00 -1.02 0.00 0.00 32.46 30.96 1nqa n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqa n ALA 196 N -1.48 2.17 -2.24 7.54 0.00 -0.86 -3.08 120.51 122.57 1nqa n ALA 196 Ca 0.03 -0.02 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 1nqa n ALA 196 Cb 0.13 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 1nqa n ALA 196 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nqa s ARG 197 N -3.11 4.07 -0.63 0.00 1.81 -0.84 -1.05 118.95 119.20 1nqa s ARG 197 Ca 0.10 0.64 -0.28 0.00 -1.72 0.00 0.00 55.73 54.47 1nqa s ARG 197 Cb 0.13 -2.83 -0.16 0.00 -0.45 0.00 0.00 34.95 31.63 1nqa s ARG 197 CO 0.54 0.40 1.93 0.00 -0.68 0.00 0.00 175.30 177.49 1nqa n ALA 198 N 0.57 0.20 -0.27 2.13 0.00 -1.26 -4.45 120.51 117.44 1nqa n ALA 198 Ca -0.03 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.42 1nqa n ALA 198 Cb 0.52 -1.71 0.32 0.00 0.00 0.00 0.00 19.45 18.58 1nqa n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqa h ALA 199 N 8.44 1.69 -0.38 0.00 0.00 -0.96 -2.42 119.26 125.62 1nqa h ALA 199 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nqa h ALA 199 Cb 1.05 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nqa h ALA 199 CO 0.99 0.12 0.00 0.00 0.00 0.00 0.00 179.25 180.37 1nqa n ALA 200 N -2.42 2.45 0.18 0.00 0.00 -1.26 -4.13 120.51 115.33 1nqa n ALA 200 Ca 0.15 -0.74 0.06 0.00 0.00 0.00 0.00 53.44 52.91 1nqa n ALA 200 Cb 0.34 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 1nqa n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nqa n GLU 201 N 0.75 1.40 -4.16 0.00 -0.58 -0.91 -4.75 120.64 112.38 1nqa n GLU 201 Ca 0.16 -0.07 -0.12 0.00 -0.42 0.00 0.00 57.16 56.71 1nqa n GLU 201 Cb 0.38 -1.18 -0.09 0.00 -0.57 0.00 0.00 31.44 29.98 1nqa n GLU 201 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1nqa s SER 202 N -2.87 0.26 -0.25 1.62 0.01 -1.22 -5.04 113.70 106.20 1nqa s SER 202 Ca -0.01 -1.34 -0.18 0.00 1.31 0.00 0.00 55.95 55.73 1nqa s SER 202 Cb 0.08 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.72 1nqa s SER 202 CO 0.47 -0.93 0.51 -0.63 0.41 0.00 0.00 173.24 173.06 1nqa s ILE 203 N -4.03 5.08 -0.30 1.44 1.01 -1.26 -4.11 121.20 119.03 1nqa s ILE 203 Ca 0.36 0.88 0.02 0.00 0.00 0.00 0.00 60.65 61.91 1nqa s ILE 203 Cb 0.05 -3.82 0.07 0.00 0.01 0.00 0.00 42.46 38.77 1nqa s ILE 203 CO 0.13 0.10 -0.03 -0.63 0.00 0.00 0.00 174.94 174.51 1nqa s ILE 204 N 2.22 2.39 0.36 2.92 1.01 0.11 -4.94 121.20 125.26 1nqa s ILE 204 Ca 0.21 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.74 1nqa s ILE 204 Cb -0.16 -2.53 -0.10 0.00 0.01 0.00 0.00 42.46 39.69 1nqa s ILE 204 CO 0.09 -0.26 1.27 -2.84 0.00 0.00 0.00 174.94 173.21 1nqa s PRO 205 N 1.06 4.23 0.13 2.79 0.02 -1.26 -1.24 135.00 140.74 1nqa s PRO 205 Ca -0.01 2.12 -0.21 0.00 0.02 0.00 0.00 61.00 62.92 1nqa s PRO 205 Cb -0.20 -2.94 0.06 0.00 0.02 0.00 0.00 34.50 31.43 1nqa s PRO 205 CO -0.05 -0.26 0.53 -0.08 -0.33 0.00 0.00 177.00 176.81 1nqa s THR 206 N -1.21 0.03 0.84 0.99 -1.32 -0.68 -4.78 115.64 109.50 1nqa s THR 206 Ca 0.52 -0.21 -0.12 0.00 -1.21 0.00 0.00 61.69 60.67 1nqa s THR 206 Cb -0.38 -1.05 0.10 0.00 -1.51 0.00 0.00 72.50 69.66 1nqa s THR 206 CO 0.49 -0.12 1.13 0.42 -2.21 0.00 0.00 174.62 174.34 1nqa s THR 207 N -3.54 2.41 -0.27 5.08 -4.23 -1.26 -1.10 115.64 112.73 1nqa s THR 207 Ca 0.01 0.13 -0.25 0.00 -1.18 0.00 0.00 61.69 60.40 1nqa s THR 207 Cb -0.00 -2.96 0.11 0.00 1.34 0.00 0.00 72.50 70.99 1nqa s THR 207 CO -0.11 -0.17 0.93 0.28 -0.54 0.00 0.00 174.62 175.01 1nqa s THR 208 N -3.32 0.00 -1.14 3.99 -1.32 -1.26 -4.59 115.64 108.01 1nqa s THR 208 Ca 0.62 0.00 0.17 0.00 -1.21 0.00 0.00 61.69 61.27 1nqa s THR 208 Cb -0.14 -1.00 0.59 0.00 -1.51 0.00 0.00 72.50 70.45 1nqa s THR 208 CO 0.52 0.00 1.51 0.61 -2.21 0.00 0.00 174.62 175.05 1nqa n GLY 209 N 2.33 2.86 0.23 6.08 0.00 -1.26 -4.59 105.19 110.84 1nqa n GLY 209 Ca -0.13 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.11 1nqa n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqa h ALA 210 N 3.41 0.76 -0.46 4.61 0.00 -1.96 0.38 119.26 125.99 1nqa h ALA 210 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1nqa h ALA 210 Cb 1.20 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1nqa h ALA 210 CO 0.13 -0.06 0.18 0.00 0.00 0.00 0.00 179.25 179.50 1nqa h ALA 211 N 1.32 0.60 -0.00 0.00 0.00 -1.89 -2.70 119.26 116.59 1nqa h ALA 211 Ca 0.26 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.87 1nqa h ALA 211 Cb 0.19 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nqa h ALA 211 CO -0.19 0.22 -0.69 0.87 0.00 0.00 0.00 179.25 179.46 1nqa h LYS 212 N 0.61 0.03 0.00 0.00 1.57 -1.63 -3.11 116.57 114.03 1nqa h LYS 212 Ca 0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 1nqa h LYS 212 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1nqa h LYS 212 CO -0.01 0.70 -0.04 0.00 -0.57 0.00 0.00 179.45 179.53 1nqa h ALA 213 N 1.29 1.12 0.00 3.86 0.00 0.06 -2.35 119.26 123.25 1nqa h ALA 213 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1nqa h ALA 213 Cb 1.22 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nqa h ALA 213 CO 0.09 0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.67 1nqa h VAL 214 N 0.00 0.65 0.00 0.00 2.07 -1.42 -0.51 116.25 117.05 1nqa h VAL 214 Ca -0.00 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1nqa h VAL 214 Cb 0.26 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1nqa h VAL 214 CO 0.01 0.00 -0.13 0.00 0.02 0.00 0.00 177.57 177.47 1nqa h ALA 215 N 2.00 1.21 0.00 1.67 0.00 -1.59 0.36 119.26 122.90 1nqa h ALA 215 Ca -0.00 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1nqa h ALA 215 Cb 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1nqa h ALA 215 CO 0.00 0.16 -0.39 -0.07 0.00 0.00 0.00 179.25 178.95 1nqa h LEU 216 N 0.00 0.00 0.00 0.00 3.38 -1.27 -2.66 115.31 114.76 1nqa h LEU 216 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nqa h LEU 216 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1nqa h LEU 216 CO 0.02 0.39 -1.41 1.33 0.09 0.00 0.00 178.44 178.86 1nqa n VAL 217 N -3.60 0.00 -3.42 1.22 0.24 -0.74 -4.74 118.33 107.28 1nqa n VAL 217 Ca -0.00 -0.28 -0.27 0.00 -2.04 0.00 0.00 64.34 61.75 1nqa n VAL 217 Cb 0.51 0.35 -0.10 0.00 -1.47 0.00 0.00 33.84 33.13 1nqa n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nqa n LEU 218 N -1.83 0.20 -0.40 1.34 4.77 0.12 -4.64 117.00 116.57 1nqa n LEU 218 Ca -0.01 -4.57 0.34 0.00 -0.03 0.00 0.00 56.01 51.74 1nqa n LEU 218 Cb 0.31 0.36 0.66 0.00 -2.33 0.00 0.00 43.42 42.43 1nqa n LEU 218 CO 0.27 1.89 1.29 -0.65 -1.33 0.00 0.00 177.39 178.86 1nqa h PRO 219 N 5.27 0.13 0.00 3.23 0.11 -1.69 -0.43 132.00 138.63 1nqa h PRO 219 Ca 0.22 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 1nqa h PRO 219 Cb 0.88 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1nqa h PRO 219 CO 0.44 0.09 -0.02 0.93 -0.21 0.00 0.00 178.00 179.23 1nqa h GLU 220 N 0.14 0.00 -0.36 1.05 5.08 -1.94 -1.95 114.58 116.61 1nqa h GLU 220 Ca 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.04 1nqa h GLU 220 Cb 2.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.54 1nqa h GLU 220 CO -0.20 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.11 1nqa n LEU 221 N -3.17 2.26 -4.67 1.33 4.77 -0.17 -4.91 117.00 112.44 1nqa n LEU 221 Ca -0.01 -1.07 -0.48 0.00 -0.03 0.00 0.00 56.01 54.42 1nqa n LEU 221 Cb 0.20 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.01 1nqa n LEU 221 CO 0.25 0.53 1.31 1.17 -1.33 0.00 0.00 177.39 179.32 1nqa n LYS 222 N 0.72 2.07 -0.92 3.23 3.00 -0.73 -1.24 118.16 124.29 1nqa n LYS 222 Ca 0.16 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 59.22 1nqa n LYS 222 Cb 0.38 -2.54 0.00 0.00 0.00 0.00 0.00 35.03 32.87 1nqa n LYS 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nqa n GLY 223 N 3.81 0.51 0.00 3.14 0.00 -1.26 -4.86 105.19 106.53 1nqa n GLY 223 Ca 0.20 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1nqa n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqa n LYS 224 N -1.87 1.34 -4.37 1.61 5.02 -0.37 -5.00 118.16 114.52 1nqa n LYS 224 Ca 0.00 -0.05 -0.24 0.00 -2.02 0.00 0.00 58.31 56.00 1nqa n LYS 224 Cb 0.08 -1.30 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 1nqa n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nqa s LEU 225 N -3.17 2.27 0.24 -0.35 1.43 -1.25 -0.71 118.68 117.14 1nqa s LEU 225 Ca 0.02 -0.65 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 1nqa s LEU 225 Cb 0.12 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.45 1nqa s LEU 225 CO 0.67 0.08 0.56 0.21 0.23 0.00 0.00 176.35 178.09 1nqa s ASN 226 N -1.73 -0.19 0.00 2.29 3.84 -1.01 -4.03 114.94 114.11 1nqa s ASN 226 Ca 0.07 -0.70 0.00 0.00 0.21 0.00 0.00 52.86 52.43 1nqa s ASN 226 Cb -0.10 0.62 0.00 0.00 -0.55 0.00 0.00 41.25 41.23 1nqa s ASN 226 CO 0.04 -1.17 0.00 0.61 -2.79 0.00 0.00 177.10 173.79 1nqa n GLY 227 N -0.39 -1.22 2.48 1.21 0.00 -1.26 -1.24 105.19 104.78 1nqa n GLY 227 Ca -0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.96 1nqa n GLY 227 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nqa n MET 228 N -0.02 0.45 -4.23 1.61 0.00 -0.40 -4.49 117.12 110.04 1nqa n MET 228 Ca 0.00 -2.24 -0.15 0.00 0.00 0.00 0.00 57.70 55.31 1nqa n MET 228 Cb 0.00 2.03 -0.10 0.00 0.00 0.00 0.00 33.22 35.15 1nqa n MET 228 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1nqa s ALA 229 N -2.67 1.39 -0.26 3.17 0.00 -0.26 -1.76 121.76 121.37 1nqa s ALA 229 Ca 0.25 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1nqa s ALA 229 Cb 0.00 0.01 0.09 0.00 0.00 0.00 0.00 23.12 23.22 1nqa s ALA 229 CO 0.18 -0.03 0.11 -1.64 0.00 0.00 0.00 175.76 174.37 1nqa s MET 230 N -3.25 0.28 0.07 0.00 -1.94 -0.07 -1.69 119.30 112.68 1nqa s MET 230 Ca 0.12 -0.50 -0.30 0.00 -1.71 0.00 0.00 55.69 53.30 1nqa s MET 230 Cb -0.01 -1.52 -0.05 0.00 2.01 0.00 0.00 34.83 35.27 1nqa s MET 230 CO 0.01 -0.90 1.02 1.03 -0.01 0.00 0.00 175.02 176.17 1nqa s ARG 231 N 2.02 4.59 0.23 2.03 1.81 -0.37 -0.89 118.95 128.38 1nqa s ARG 231 Ca 0.07 1.51 0.05 0.00 -1.72 0.00 0.00 55.73 55.64 1nqa s ARG 231 Cb -0.16 -3.39 -0.05 0.00 -0.45 0.00 0.00 34.95 30.89 1nqa s ARG 231 CO -0.26 0.03 -0.05 0.14 -0.68 0.00 0.00 175.30 174.47 1nqa s VAL 232 N 0.52 1.35 -0.13 3.52 -7.23 -0.40 0.07 120.40 118.10 1nqa s VAL 232 Ca 0.51 -2.09 -0.02 0.00 -1.81 0.00 0.00 61.98 58.57 1nqa s VAL 232 Cb -0.24 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.38 1nqa s VAL 232 CO 0.30 -0.41 1.32 -2.65 -0.31 0.00 0.00 175.10 173.34 1nqa n PRO 233 N -0.44 0.61 -4.49 4.82 -0.02 -1.26 -3.14 135.00 131.08 1nqa n PRO 233 Ca -0.06 -0.46 -0.22 0.00 -2.02 0.00 0.00 63.50 60.74 1nqa n PRO 233 Cb 0.63 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 32.16 1nqa n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nqa s THR 234 N 3.14 1.22 0.03 3.45 -4.23 -1.26 -5.01 115.64 112.97 1nqa s THR 234 Ca 0.16 -0.94 0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1nqa s THR 234 Cb 0.06 -1.08 0.12 0.00 1.34 0.00 0.00 72.50 72.95 1nqa s THR 234 CO -0.00 0.13 1.62 1.55 -0.54 0.00 0.00 174.62 177.38 1nqa h PRO 235 N 5.14 0.00 -2.32 3.99 0.13 -1.86 -1.70 132.00 135.38 1nqa h PRO 235 Ca -0.38 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.79 1nqa h PRO 235 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.14 1nqa h PRO 235 CO 0.45 0.41 0.37 1.21 -0.23 0.00 0.00 178.00 180.21 1nqa s ASN 236 N -6.41 -0.47 0.00 1.44 2.47 -1.26 -4.67 114.94 106.04 1nqa s ASN 236 Ca 0.02 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.49 1nqa s ASN 236 Cb 0.09 0.46 0.00 0.00 -1.45 0.00 0.00 41.25 40.35 1nqa s ASN 236 CO 0.70 -0.67 0.00 0.52 -3.72 0.00 0.00 177.10 173.93 1nqa n VAL 237 N 0.08 -0.50 -4.37 -5.21 0.31 -1.26 -4.87 118.33 102.50 1nqa n VAL 237 Ca -0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 63.98 1nqa n VAL 237 Cb 0.61 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 1nqa n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nqa s SER 238 N -0.60 2.10 -0.17 4.52 0.01 0.31 -3.61 113.70 116.26 1nqa s SER 238 Ca 0.00 -1.73 -0.10 0.00 1.31 0.00 0.00 55.95 55.43 1nqa s SER 238 Cb 0.00 0.56 0.06 0.00 0.21 0.00 0.00 66.02 66.85 1nqa s SER 238 CO 0.00 -1.02 0.42 0.54 0.41 0.00 0.00 173.24 173.59 1nqa s VAL 239 N -3.36 -0.02 -0.03 3.43 0.11 -0.46 -1.60 120.40 118.46 1nqa s VAL 239 Ca 0.34 0.08 -0.17 0.00 -2.93 0.00 0.00 61.98 59.30 1nqa s VAL 239 Cb 0.02 -0.63 -0.05 0.00 -1.53 0.00 0.00 36.38 34.19 1nqa s VAL 239 CO 0.23 0.03 0.48 -0.69 -3.33 0.00 0.00 175.10 171.82 1nqa s VAL 240 N 1.32 5.03 -0.30 2.04 1.01 0.40 -1.44 120.40 128.46 1nqa s VAL 240 Ca -0.09 0.98 0.03 0.00 0.00 0.00 0.00 61.98 62.90 1nqa s VAL 240 Cb -0.08 -3.80 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1nqa s VAL 240 CO -0.12 0.46 -0.00 -0.62 0.00 0.00 0.00 175.10 174.82 1nqa s ASP 241 N -0.35 4.43 -0.15 3.32 2.15 -0.20 -1.36 116.67 124.51 1nqa s ASP 241 Ca 0.26 -1.73 -0.04 0.00 0.43 0.00 0.00 52.55 51.47 1nqa s ASP 241 Cb -0.17 -1.43 -0.03 0.00 -0.30 0.00 0.00 42.92 40.99 1nqa s ASP 241 CO 0.13 -0.31 -0.03 -0.22 -0.17 0.00 0.00 175.17 174.57 1nqa s LEU 242 N 1.13 3.29 -0.17 -1.34 2.96 -0.35 -1.50 118.68 122.70 1nqa s LEU 242 Ca 0.03 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1nqa s LEU 242 Cb -0.19 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.72 1nqa s LEU 242 CO -0.09 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.25 1nqa s VAL 243 N 0.31 2.32 0.02 1.68 1.01 -0.05 -0.81 120.40 124.88 1nqa s VAL 243 Ca -0.03 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1nqa s VAL 243 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.25 1nqa s VAL 243 CO 0.03 0.53 -0.04 0.00 0.00 0.00 0.00 175.10 175.61 1nqa s ALA 244 N 1.06 0.28 -0.14 5.51 0.00 -0.22 -0.70 121.76 127.54 1nqa s ALA 244 Ca -0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 1nqa s ALA 244 Cb -0.14 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 1nqa s ALA 244 CO -0.06 -0.09 0.54 -1.21 0.00 0.00 0.00 175.76 174.94 1nqa s GLU 245 N -1.34 4.30 0.25 0.00 0.41 0.15 -1.31 118.70 121.17 1nqa s GLU 245 Ca -0.12 0.52 0.07 0.00 -0.41 0.00 0.00 54.97 55.03 1nqa s GLU 245 Cb -0.09 -3.48 -0.04 0.00 -1.78 0.00 0.00 34.13 28.74 1nqa s GLU 245 CO -0.00 0.03 0.21 -0.51 -0.49 0.00 0.00 175.26 174.49 1nqa s LEU 246 N 1.04 3.87 0.11 1.80 1.02 0.23 -0.44 118.68 126.31 1nqa s LEU 246 Ca 0.27 -0.21 0.07 0.00 0.02 0.00 0.00 54.13 54.28 1nqa s LEU 246 Cb -0.16 -2.40 -0.21 0.00 0.02 0.00 0.00 46.19 43.44 1nqa s LEU 246 CO 0.11 -0.04 1.25 -0.33 0.02 0.00 0.00 176.35 177.36 1nqa h GLU 247 N 1.48 0.00 -6.16 1.70 5.08 -0.57 -3.45 114.58 112.66 1nqa h GLU 247 Ca -0.49 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.38 1nqa h GLU 247 Cb 1.24 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 1nqa h GLU 247 CO 0.61 0.97 -0.47 0.15 -1.00 0.00 0.00 179.01 179.28 1nqa s LYS 248 N -2.70 3.30 -0.10 2.33 1.02 -1.08 -5.06 119.74 117.43 1nqa s LYS 248 Ca 0.01 -0.79 -0.21 0.00 0.02 0.00 0.00 55.97 55.00 1nqa s LYS 248 Cb 0.10 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.55 1nqa s LYS 248 CO 0.82 0.45 0.60 -2.00 -0.92 0.00 0.00 175.35 174.29 1nqa s GLU 249 N -3.73 4.37 0.37 1.68 2.56 -1.26 -4.68 118.70 118.01 1nqa s GLU 249 Ca 0.34 0.66 0.04 0.00 0.00 0.00 0.00 54.97 56.01 1nqa s GLU 249 Cb -0.09 -3.46 -0.03 0.00 2.00 0.00 0.00 34.13 32.55 1nqa s GLU 249 CO 0.28 0.07 0.15 0.14 -0.56 0.00 0.00 175.26 175.34 1nqa s VAL 250 N 0.86 0.48 0.26 3.70 -7.23 -0.24 -5.03 120.40 113.20 1nqa s VAL 250 Ca 0.31 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.56 1nqa s VAL 250 Cb -0.16 -2.44 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1nqa s VAL 250 CO 0.14 0.00 -0.10 0.42 -0.31 0.00 0.00 175.10 175.25 1nqa s THR 251 N -3.35 1.78 0.20 5.32 -4.23 -1.26 -4.66 115.64 109.43 1nqa s THR 251 Ca 0.30 -2.18 -0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1nqa s THR 251 Cb 0.03 -2.33 0.13 0.00 1.34 0.00 0.00 72.50 71.67 1nqa s THR 251 CO 0.17 -0.39 1.81 0.58 -0.54 0.00 0.00 174.62 176.25 1nqa h VAL 252 N 2.34 1.22 -0.47 2.29 2.07 -1.94 -1.67 116.25 120.11 1nqa h VAL 252 Ca -0.40 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 66.48 1nqa h VAL 252 Cb 1.23 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1nqa h VAL 252 CO 0.65 0.25 0.05 -0.33 0.02 0.00 0.00 177.57 178.22 1nqa h GLU 253 N 0.99 0.74 -0.30 1.57 3.07 -1.97 -1.22 114.58 117.46 1nqa h GLU 253 Ca 0.25 -0.17 -0.06 0.00 -0.50 0.00 0.00 59.36 58.89 1nqa h GLU 253 Cb 0.06 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 1nqa h GLU 253 CO -0.04 0.72 -0.03 1.49 -1.40 0.00 0.00 179.01 179.75 1nqa h GLU 254 N 0.71 0.55 0.19 2.33 4.81 -1.86 -0.83 114.58 120.47 1nqa h GLU 254 Ca 0.15 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 1nqa h GLU 254 Cb 0.36 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1nqa h GLU 254 CO 0.01 0.72 -0.09 0.28 -0.73 0.00 0.00 179.01 179.20 1nqa h VAL 255 N 0.32 0.88 -0.83 0.32 2.07 -1.10 -1.92 116.25 115.99 1nqa h VAL 255 Ca 0.08 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.31 1nqa h VAL 255 Cb 0.49 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 1nqa h VAL 255 CO 0.02 0.07 0.55 0.78 0.02 0.00 0.00 177.57 179.01 1nqa h ASN 256 N -0.40 0.94 -0.67 0.57 -0.26 -1.25 -1.17 115.58 113.33 1nqa h ASN 256 Ca -0.03 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.66 1nqa h ASN 256 Cb 0.31 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.31 1nqa h ASN 256 CO 0.04 0.67 0.30 0.00 -1.06 0.00 0.00 177.43 177.38 1nqa h ALA 257 N 1.31 0.87 -0.64 -0.83 0.00 -1.09 0.24 119.26 119.13 1nqa h ALA 257 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1nqa h ALA 257 Cb -0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 1nqa h ALA 257 CO -0.08 0.46 0.12 0.00 0.00 0.00 0.00 179.25 179.75 1nqa h ALA 258 N 1.13 1.01 -0.50 0.00 0.00 -0.92 -0.98 119.26 119.01 1nqa h ALA 258 Ca 0.23 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1nqa h ALA 258 Cb 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nqa h ALA 258 CO -0.02 0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 179.61 1nqa h LEU 259 N 0.97 1.01 -0.75 0.00 3.38 -0.79 -2.48 115.31 116.65 1nqa h LEU 259 Ca 0.20 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.69 1nqa h LEU 259 Cb 0.39 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1nqa h LEU 259 CO 0.01 1.16 -0.26 0.50 0.09 0.00 0.00 178.44 179.95 1nqa h LYS 260 N 0.87 0.67 -0.77 1.13 3.64 -0.70 -1.57 116.57 119.83 1nqa h LYS 260 Ca 0.12 -0.27 -0.02 0.00 -1.27 0.00 0.00 60.65 59.21 1nqa h LYS 260 Cb 0.76 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.51 1nqa h LYS 260 CO 0.06 0.86 0.40 0.00 -2.27 0.00 0.00 179.45 178.50 1nqa h ALA 261 N 1.14 0.99 -0.18 5.00 0.00 -1.01 -1.13 119.26 124.07 1nqa h ALA 261 Ca 0.08 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 1nqa h ALA 261 Cb 0.74 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1nqa h ALA 261 CO 0.06 0.52 -0.51 0.00 0.00 0.00 0.00 179.25 179.32 1nqa h ALA 262 N 1.21 0.79 -0.15 0.00 0.00 -1.27 -1.99 119.26 117.86 1nqa h ALA 262 Ca 0.27 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 1nqa h ALA 262 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1nqa h ALA 262 CO -0.04 0.67 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 1nqa h ALA 263 N 1.07 1.34 0.00 0.00 0.00 -0.80 0.38 119.26 121.25 1nqa h ALA 263 Ca 0.02 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nqa h ALA 263 Cb 1.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1nqa h ALA 263 CO 0.09 0.45 -0.58 0.39 0.00 0.00 0.00 179.25 179.60 1nqa n GLU 264 N -4.18 0.17 0.00 0.00 -0.58 -0.47 -3.32 120.64 112.26 1nqa n GLU 264 Ca -0.01 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1nqa n GLU 264 Cb 0.35 -1.60 0.00 0.00 -0.57 0.00 0.00 31.44 29.62 1nqa n GLU 264 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nqa n GLY 265 N 1.41 1.46 0.32 0.62 0.00 -0.76 -4.77 105.19 103.47 1nqa n GLY 265 Ca 0.04 -0.13 0.31 0.00 0.00 0.00 0.00 46.02 46.24 1nqa n GLY 265 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1nqa n GLU 266 N 0.00 -0.06 -0.32 1.61 2.13 -1.17 -1.75 120.64 121.08 1nqa n GLU 266 Ca 0.00 1.37 0.07 0.00 0.66 0.00 0.00 57.16 59.26 1nqa n GLU 266 Cb 0.00 -2.45 0.18 0.00 0.27 0.00 0.00 31.44 29.44 1nqa n GLU 266 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 1nqa n LEU 267 N -5.24 2.85 -4.70 4.31 4.77 0.13 -5.04 117.00 114.08 1nqa n LEU 267 Ca 0.37 -3.33 -0.43 0.00 -0.03 0.00 0.00 56.01 52.59 1nqa n LEU 267 Cb 1.27 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.85 1nqa n LEU 267 CO 0.01 0.91 1.07 1.17 -1.33 0.00 0.00 177.39 179.22 1nqa n LYS 268 N -1.19 2.26 0.00 3.23 4.81 -0.72 -0.40 118.16 126.15 1nqa n LYS 268 Ca 0.19 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1nqa n LYS 268 Cb 0.73 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1nqa n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqa n GLY 269 N 1.95 3.07 0.53 3.14 0.00 -1.26 -4.73 105.19 107.89 1nqa n GLY 269 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1nqa n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqa n ILE 270 N -2.00 0.97 -4.37 -0.61 2.08 -0.09 -4.39 119.36 110.94 1nqa n ILE 270 Ca 0.00 -0.10 -0.34 0.00 0.56 0.00 0.00 62.75 62.87 1nqa n ILE 270 Cb 0.00 -1.78 -0.13 0.00 -0.75 0.00 0.00 39.64 36.98 1nqa n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1nqa s LEU 271 N -6.98 3.06 0.35 1.39 2.96 0.46 -1.18 118.68 118.73 1nqa s LEU 271 Ca -0.20 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.56 1nqa s LEU 271 Cb 0.07 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1nqa s LEU 271 CO 0.26 0.12 0.07 0.00 -1.32 0.00 0.00 176.35 175.49 1nqa s ALA 272 N 0.63 3.34 -0.05 5.97 0.00 0.25 -4.42 121.76 127.46 1nqa s ALA 272 Ca -0.03 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.00 1nqa s ALA 272 Cb -0.15 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1nqa s ALA 272 CO 0.03 0.03 -0.04 -0.47 0.00 0.00 0.00 175.76 175.30 1nqa s TYR 273 N -2.50 0.83 -0.03 0.00 5.04 -1.26 -0.64 117.35 118.79 1nqa s TYR 273 Ca 0.36 -0.26 0.04 0.00 -2.44 0.00 0.00 57.07 54.77 1nqa s TYR 273 Cb -0.00 -0.75 -0.00 0.00 0.35 0.00 0.00 41.96 41.55 1nqa s TYR 273 CO 0.21 -0.24 -0.14 0.45 -1.34 0.00 0.00 175.55 174.48 1nqa s SER 274 N 1.13 1.82 -0.02 4.32 0.15 -0.17 -4.90 113.70 116.03 1nqa s SER 274 Ca -0.08 -0.29 0.13 0.00 0.70 0.00 0.00 55.95 56.41 1nqa s SER 274 Cb -0.14 -0.47 0.38 0.00 -1.71 0.00 0.00 66.02 64.09 1nqa s SER 274 CO -0.01 0.13 1.32 -0.62 1.20 0.00 0.00 173.24 175.26 1nqa n GLU 275 N 3.14 2.90 -3.35 5.44 1.02 -1.26 -0.67 120.64 127.86 1nqa n GLU 275 Ca -0.18 -2.23 -0.38 0.00 -0.02 0.00 0.00 57.16 54.35 1nqa n GLU 275 Cb 0.54 -1.39 -0.06 0.00 -0.02 0.00 0.00 31.44 30.51 1nqa n GLU 275 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nqa s GLU 276 N -1.22 4.10 -1.34 3.49 0.41 -1.26 -4.77 118.70 118.11 1nqa s GLU 276 Ca 0.29 0.62 -0.14 0.00 -0.41 0.00 0.00 54.97 55.33 1nqa s GLU 276 Cb 0.17 -3.22 0.10 0.00 -1.78 0.00 0.00 34.13 29.40 1nqa s GLU 276 CO 0.17 0.65 1.89 -0.35 -0.49 0.00 0.00 175.26 177.13 1nqa n PRO 277 N 1.70 3.21 -2.74 0.39 -0.04 -1.26 -4.87 135.00 131.38 1nqa n PRO 277 Ca -0.11 -3.20 -0.21 0.00 -0.04 0.00 0.00 63.50 59.93 1nqa n PRO 277 Cb 0.51 -3.22 0.07 0.00 -0.04 0.00 0.00 33.50 30.82 1nqa n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqa s LEU 278 N 2.07 3.17 0.27 1.53 1.43 -1.26 -5.14 118.68 120.75 1nqa s LEU 278 Ca 0.46 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 1nqa s LEU 278 Cb 0.08 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.99 1nqa s LEU 278 CO -0.01 -1.42 -0.01 0.68 0.23 0.00 0.00 176.35 175.82 1nqa s VAL 279 N -2.84 1.32 0.28 -1.59 -7.23 -1.26 -5.06 120.40 104.03 1nqa s VAL 279 Ca 0.61 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.74 1nqa s VAL 279 Cb -0.07 -2.48 0.29 0.00 0.56 0.00 0.00 36.38 34.67 1nqa s VAL 279 CO 0.40 -0.25 1.68 0.77 -0.31 0.00 0.00 175.10 177.39 1nqa h SER 280 N 2.32 0.17 -0.75 4.85 4.64 -1.97 -0.57 113.55 122.24 1nqa h SER 280 Ca -0.39 0.17 0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1nqa h SER 280 Cb 1.23 0.19 -0.05 0.00 -0.31 0.00 0.00 62.40 63.46 1nqa h SER 280 CO 0.67 -0.07 0.50 0.03 -0.87 0.00 0.00 176.83 177.09 1nqa h ARG 281 N 0.31 0.46 0.00 4.77 2.47 -1.98 -0.78 114.38 119.64 1nqa h ARG 281 Ca 0.54 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1nqa h ARG 281 Cb 1.05 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.26 1nqa h ARG 281 CO -0.57 0.31 -0.01 -0.44 0.56 0.00 0.00 179.97 179.82 1nqa h ASP 282 N 0.48 0.00 -0.12 7.04 3.32 -1.51 -2.43 116.42 123.19 1nqa h ASP 282 Ca 0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1nqa h ASP 282 Cb 0.75 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.30 1nqa h ASP 282 CO -0.12 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.18 1nqa n TYR 283 N -3.13 0.13 -2.07 4.55 4.01 -0.30 -4.89 117.16 115.47 1nqa n TYR 283 Ca -0.02 -0.07 -0.42 0.00 -0.16 0.00 0.00 57.90 57.23 1nqa n TYR 283 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.16 1nqa n TYR 283 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nqa s ASN 284 N -1.84 6.65 0.00 7.72 2.47 -0.92 -1.53 114.94 127.49 1nqa s ASN 284 Ca 0.33 2.09 0.00 0.00 0.42 0.00 0.00 52.86 55.70 1nqa s ASN 284 Cb 0.21 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1nqa s ASN 284 CO 0.31 -0.96 0.00 0.61 -3.72 0.00 0.00 177.10 173.34 1nqa n GLY 285 N 4.15 0.37 3.72 1.21 0.00 -1.26 -5.06 105.19 108.32 1nqa n GLY 285 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1nqa n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqa s SER 286 N -2.02 6.50 0.00 1.61 0.15 -0.58 -4.93 113.70 114.44 1nqa s SER 286 Ca 0.00 2.74 0.23 0.00 0.70 0.00 0.00 55.95 59.61 1nqa s SER 286 Cb 0.00 -2.60 0.05 0.00 -1.71 0.00 0.00 66.02 61.75 1nqa s SER 286 CO 0.00 -0.87 1.08 0.35 1.20 0.00 0.00 173.24 175.00 1nqa n THR 287 N 3.62 0.01 -1.52 6.45 -2.24 -1.26 -2.95 114.28 116.40 1nqa n THR 287 Ca 0.13 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.59 1nqa n THR 287 Cb 0.37 0.66 0.12 0.00 -2.10 0.00 0.00 70.33 69.38 1nqa n THR 287 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nqa s VAL 288 N -3.03 2.36 -0.19 2.28 -7.23 -1.26 -4.47 120.40 108.87 1nqa s VAL 288 Ca 0.08 0.12 0.19 0.00 -1.81 0.00 0.00 61.98 60.56 1nqa s VAL 288 Cb 0.16 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.23 1nqa s VAL 288 CO 0.81 -0.15 1.06 0.28 -0.31 0.00 0.00 175.10 176.78 1nqa h SER 289 N -1.38 0.00 -3.03 4.85 0.02 -1.35 -3.40 113.55 109.26 1nqa h SER 289 Ca -0.50 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.48 1nqa h SER 289 Cb 1.31 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.63 1nqa h SER 289 CO 0.61 0.35 0.09 -0.55 -1.14 0.00 0.00 176.83 176.18 1nqa s SER 290 N -5.80 -0.86 -0.18 3.07 0.15 -0.72 -3.89 113.70 105.47 1nqa s SER 290 Ca -0.00 1.41 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1nqa s SER 290 Cb 0.08 1.36 0.04 0.00 -1.71 0.00 0.00 66.02 65.80 1nqa s SER 290 CO 0.78 -0.22 -0.09 -0.89 1.20 0.00 0.00 173.24 174.01 1nqa s THR 291 N 1.47 1.45 0.18 6.45 2.01 -0.49 0.84 115.64 127.56 1nqa s THR 291 Ca -0.09 -0.80 -0.31 0.00 0.31 0.00 0.00 61.69 60.81 1nqa s THR 291 Cb -0.05 -1.52 -0.09 0.00 0.01 0.00 0.00 72.50 70.85 1nqa s THR 291 CO -0.17 0.22 1.40 -0.63 -0.69 0.00 0.00 174.62 174.75 1nqa s ILE 292 N 1.49 3.01 -1.09 1.82 -1.09 0.19 -0.37 121.20 125.16 1nqa s ILE 292 Ca 0.01 0.79 -0.13 0.00 -2.23 0.00 0.00 60.65 59.09 1nqa s ILE 292 Cb -0.15 -3.51 0.20 0.00 -1.58 0.00 0.00 42.46 37.42 1nqa s ILE 292 CO -0.09 0.10 1.22 -0.62 -1.23 0.00 0.00 174.94 174.32 1nqa s ASP 293 N 0.66 7.03 0.46 3.58 2.15 0.59 -0.99 116.67 130.13 1nqa s ASP 293 Ca 0.61 -2.96 0.23 0.00 0.43 0.00 0.00 52.55 50.86 1nqa s ASP 293 Cb -0.39 -2.33 1.24 0.00 -0.30 0.00 0.00 42.92 41.14 1nqa s ASP 293 CO 0.36 -0.66 1.84 0.00 -0.17 0.00 0.00 175.17 176.54 1nqa h ALA 294 N 7.38 2.47 0.00 3.66 0.00 -1.17 -0.03 119.26 131.56 1nqa h ALA 294 Ca 0.23 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1nqa h ALA 294 Cb 0.92 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nqa h ALA 294 CO 1.10 -0.78 -0.07 -0.07 0.00 0.00 0.00 179.25 179.43 1nqa h LEU 295 N 0.26 0.00 0.00 0.00 3.38 -1.86 -2.79 115.31 114.29 1nqa h LEU 295 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1nqa h LEU 295 Cb 1.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.26 1nqa h LEU 295 CO -0.15 0.07 -0.56 0.28 0.09 0.00 0.00 178.44 178.18 1nqa h SER 296 N 0.00 0.00 -2.42 -0.43 0.02 -1.37 -3.47 113.55 105.88 1nqa h SER 296 Ca -0.00 -0.12 -0.61 0.00 -0.84 0.00 0.00 61.79 60.22 1nqa h SER 296 Cb 0.40 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.03 1nqa h SER 296 CO 0.01 0.06 0.37 0.41 -1.14 0.00 0.00 176.83 176.54 1nqa n THR 297 N -2.35 1.26 -3.79 -2.27 -1.04 -1.06 -4.84 114.28 100.19 1nqa n THR 297 Ca 0.03 -0.31 -0.13 0.00 -2.04 0.00 0.00 64.05 61.60 1nqa n THR 297 Cb 0.47 -1.15 -0.10 0.00 -1.82 0.00 0.00 70.33 67.73 1nqa n THR 297 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1nqa s MET 298 N -0.78 0.43 -0.03 -2.82 1.75 -0.97 -5.00 119.30 111.88 1nqa s MET 298 Ca 0.67 0.09 0.02 0.00 -1.25 0.00 0.00 55.69 55.22 1nqa s MET 298 Cb -0.73 0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.15 1nqa s MET 298 CO 0.54 -0.09 -0.08 0.08 -0.65 0.00 0.00 175.02 174.83 1nqa s VAL 299 N -0.50 0.70 -0.07 10.11 1.01 -1.26 -0.81 120.40 129.58 1nqa s VAL 299 Ca -0.06 -0.29 0.04 0.00 0.00 0.00 0.00 61.98 61.67 1nqa s VAL 299 Cb -0.04 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1nqa s VAL 299 CO 0.02 0.23 -0.19 -0.51 0.00 0.00 0.00 175.10 174.65 1nqa s ILE 300 N 0.40 1.62 -1.50 2.22 1.10 0.06 -4.75 121.20 120.35 1nqa s ILE 300 Ca -0.06 -0.78 -0.09 0.00 -0.51 0.00 0.00 60.65 59.20 1nqa s ILE 300 Cb -0.10 -1.41 0.07 0.00 0.15 0.00 0.00 42.46 41.17 1nqa s ILE 300 CO 0.01 0.46 0.75 -0.67 -2.11 0.00 0.00 174.94 173.38 1nqa n ASP 301 N 3.44 -2.70 0.00 4.50 2.03 -1.26 -2.57 116.55 119.98 1nqa n ASP 301 Ca -0.20 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.21 1nqa n ASP 301 Cb 0.52 -3.44 0.00 0.00 -0.72 0.00 0.00 41.12 37.48 1nqa n ASP 301 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nqa n GLY 302 N -1.67 0.00 0.00 0.27 0.00 -1.26 -4.42 105.19 98.11 1nqa n GLY 302 Ca -0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1nqa n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqa n LYS 303 N -0.18 1.63 -4.20 1.61 5.02 -1.20 -1.08 118.16 119.76 1nqa n LYS 303 Ca 0.00 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 1nqa n LYS 303 Cb 0.00 -1.21 -0.11 0.00 -0.02 0.00 0.00 35.03 33.69 1nqa n LYS 303 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1nqa s MET 304 N -2.56 3.82 0.16 1.97 1.75 -1.06 -0.60 119.30 122.78 1nqa s MET 304 Ca 0.00 -0.43 0.09 0.00 -1.25 0.00 0.00 55.69 54.10 1nqa s MET 304 Cb 0.09 -3.07 -0.04 0.00 2.84 0.00 0.00 34.83 34.66 1nqa s MET 304 CO 0.55 0.25 -0.19 0.54 -0.65 0.00 0.00 175.02 175.52 1nqa s VAL 305 N 0.39 1.84 -0.12 10.11 0.11 -0.42 -0.76 120.40 131.53 1nqa s VAL 305 Ca -0.01 -1.89 0.01 0.00 -2.93 0.00 0.00 61.98 57.16 1nqa s VAL 305 Cb -0.13 -1.84 0.02 0.00 -1.53 0.00 0.00 36.38 32.90 1nqa s VAL 305 CO 0.02 -0.28 -0.13 -0.75 -3.33 0.00 0.00 175.10 170.62 1nqa s LYS 306 N -2.72 2.09 -0.07 1.54 2.20 0.01 -1.06 119.74 121.73 1nqa s LYS 306 Ca 0.15 -0.49 0.04 0.00 -0.36 0.00 0.00 55.97 55.31 1nqa s LYS 306 Cb -0.06 -1.89 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 1nqa s LYS 306 CO 0.07 -0.16 -0.20 0.08 -0.36 0.00 0.00 175.35 174.77 1nqa s VAL 307 N 1.30 1.70 -0.13 4.02 1.01 0.01 -2.29 120.40 126.02 1nqa s VAL 307 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.15 1nqa s VAL 307 Cb -0.14 -1.48 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1nqa s VAL 307 CO -0.06 0.48 -0.16 -0.69 0.00 0.00 0.00 175.10 174.67 1nqa s VAL 308 N 0.28 2.78 -0.02 2.92 1.01 -1.26 -1.22 120.40 124.89 1nqa s VAL 308 Ca -0.12 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1nqa s VAL 308 Cb -0.15 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.08 1nqa s VAL 308 CO 0.05 0.53 -0.05 -0.55 0.00 0.00 0.00 175.10 175.09 1nqa s SER 309 N 0.45 0.75 0.33 3.32 0.15 -0.46 -0.30 113.70 117.94 1nqa s SER 309 Ca -0.11 -0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.34 1nqa s SER 309 Cb -0.16 -0.26 -0.07 0.00 -1.71 0.00 0.00 66.02 63.82 1nqa s SER 309 CO 0.05 -0.00 0.67 0.26 1.20 0.00 0.00 173.24 175.42 1nqa s TRP 310 N 0.46 3.45 -0.28 3.44 0.52 0.50 -0.45 118.94 126.58 1nqa s TRP 310 Ca -0.06 0.94 -0.17 0.00 0.02 0.00 0.00 56.10 56.83 1nqa s TRP 310 Cb -0.09 -2.34 0.08 0.00 -1.15 0.00 0.00 33.47 29.96 1nqa s TRP 310 CO -0.00 0.06 0.69 1.52 0.02 0.00 0.00 176.95 179.23 1nqa s TYR 311 N -2.14 -1.01 -0.74 -1.98 1.13 -0.63 -1.39 117.35 110.58 1nqa s TYR 311 Ca 0.49 2.08 -0.24 0.00 -1.41 0.00 0.00 57.07 57.99 1nqa s TYR 311 Cb -0.11 0.57 0.05 0.00 -1.10 0.00 0.00 41.96 41.38 1nqa s TYR 311 CO 0.27 -0.50 1.15 0.34 -2.51 0.00 0.00 175.55 174.30 1nqa s ASP 312 N 1.44 6.22 0.45 -0.18 -1.08 -1.26 -0.53 116.67 121.74 1nqa s ASP 312 Ca -0.08 -0.86 0.24 0.00 -0.52 0.00 0.00 52.55 51.32 1nqa s ASP 312 Cb -0.05 -2.49 1.32 0.00 -1.46 0.00 0.00 42.92 40.23 1nqa s ASP 312 CO -0.17 -1.60 1.71 -0.55 0.52 0.00 0.00 175.17 175.08 1nqa h ASN 313 N 9.74 0.00 0.00 -0.34 -1.07 -1.91 -0.77 115.58 121.23 1nqa h ASN 313 Ca -0.21 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.02 1nqa h ASN 313 Cb 1.05 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 37.28 1nqa h ASN 313 CO 1.24 0.00 -1.27 -0.62 0.07 0.00 0.00 177.43 176.85 1nqa n GLU 314 N -2.46 0.53 -0.03 4.14 1.02 -1.26 -4.31 120.64 118.26 1nqa n GLU 314 Ca -0.02 0.36 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1nqa n GLU 314 Cb 0.22 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.99 1nqa n GLU 314 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1nqa h THR 315 N -1.00 1.43 0.28 2.62 2.02 -1.80 -2.14 112.91 114.32 1nqa h THR 315 Ca -0.21 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.51 1nqa h THR 315 Cb 1.06 2.25 -0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1nqa h THR 315 CO -0.13 0.40 -0.18 1.23 0.37 0.00 0.00 175.52 177.21 1nqa h GLY 316 N -0.33 -0.46 1.01 2.16 0.00 -1.02 -1.46 103.07 102.97 1nqa h GLY 316 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1nqa h GLY 316 CO 0.03 -0.19 0.59 -1.82 0.00 0.00 0.00 176.54 175.15 1nqa h TYR 317 N -0.45 1.18 -0.55 5.60 3.20 -1.67 -1.91 116.97 122.37 1nqa h TYR 317 Ca -0.02 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1nqa h TYR 317 Cb 0.39 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1nqa h TYR 317 CO -0.10 0.76 0.20 0.77 -1.64 0.00 0.00 178.16 178.15 1nqa h SER 318 N 1.26 0.74 0.05 -2.11 0.02 -1.16 -0.94 113.55 111.40 1nqa h SER 318 Ca 0.33 -0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 61.06 1nqa h SER 318 Cb -0.11 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1nqa h SER 318 CO -0.07 0.68 -0.41 0.45 -1.14 0.00 0.00 176.83 176.34 1nqa h HIS 319 N 0.79 0.55 -0.32 3.45 3.86 -0.75 -2.53 115.15 120.20 1nqa h HIS 319 Ca 0.19 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1nqa h HIS 319 Cb 0.19 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1nqa h HIS 319 CO 0.01 0.80 -0.25 0.00 0.86 0.00 0.00 177.93 179.35 1nqa h ARG 320 N 0.38 0.64 -0.55 2.45 2.47 -0.59 0.77 114.38 119.94 1nqa h ARG 320 Ca 0.03 -0.26 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1nqa h ARG 320 Cb 0.88 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.14 1nqa h ARG 320 CO 0.07 0.83 0.29 0.28 0.56 0.00 0.00 179.97 182.01 1nqa h VAL 321 N 0.56 1.19 -0.40 2.04 2.07 -0.97 0.16 116.25 120.91 1nqa h VAL 321 Ca 0.08 -0.50 -0.12 0.00 0.82 0.00 0.00 66.70 66.97 1nqa h VAL 321 Cb 0.72 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1nqa h VAL 321 CO 0.06 0.21 -0.22 0.58 0.02 0.00 0.00 177.57 178.21 1nqa h VAL 322 N 0.75 1.28 -0.88 2.57 2.07 -1.18 -1.30 116.25 119.55 1nqa h VAL 322 Ca 0.19 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1nqa h VAL 322 Cb 0.07 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 1nqa h VAL 322 CO -0.03 0.46 0.57 0.44 0.02 0.00 0.00 177.57 179.03 1nqa h ASP 323 N 0.66 1.02 -0.46 0.57 3.32 -0.51 -1.84 116.42 119.18 1nqa h ASP 323 Ca 0.08 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 1nqa h ASP 323 Cb 0.79 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1nqa h ASP 323 CO 0.06 0.75 -0.07 0.25 -1.72 0.00 0.00 179.24 178.51 1nqa h LEU 324 N 1.20 0.87 -0.72 1.55 5.85 -0.40 -1.01 115.31 122.65 1nqa h LEU 324 Ca 0.32 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1nqa h LEU 324 Cb -0.11 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.65 1nqa h LEU 324 CO -0.07 1.01 0.44 0.00 -0.34 0.00 0.00 178.44 179.48 1nqa h ALA 325 N 0.89 0.91 -0.25 1.25 0.00 -0.85 0.33 119.26 121.54 1nqa h ALA 325 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nqa h ALA 325 Cb 0.61 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nqa h ALA 325 CO 0.04 0.38 0.08 0.00 0.00 0.00 0.00 179.25 179.74 1nqa h ALA 326 N 1.23 0.33 0.13 0.00 0.00 -1.18 -1.00 119.26 118.77 1nqa h ALA 326 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nqa h ALA 326 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1nqa h ALA 326 CO -0.05 -0.04 -0.12 -0.92 0.00 0.00 0.00 179.25 178.12 1nqa h TYR 327 N 0.24 -0.32 -0.74 0.00 3.20 -0.87 -0.76 116.97 117.73 1nqa h TYR 327 Ca 0.08 0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.04 1nqa h TYR 327 Cb 0.24 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.56 1nqa h TYR 327 CO 0.00 -0.19 0.39 0.82 -1.64 0.00 0.00 178.16 177.54 1nqa h ILE 328 N -0.27 0.87 -0.86 1.81 2.04 -0.86 -1.63 117.51 118.61 1nqa h ILE 328 Ca 0.00 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1nqa h ILE 328 Cb 0.26 0.15 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1nqa h ILE 328 CO -0.03 0.12 0.44 0.00 0.00 0.00 0.00 178.15 178.68 1nqa h ALA 329 N 1.43 1.10 0.00 1.87 0.00 -0.73 -2.17 119.26 120.76 1nqa h ALA 329 Ca 0.36 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nqa h ALA 329 Cb 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nqa h ALA 329 CO -0.26 0.64 0.00 0.66 0.00 0.00 0.00 179.25 180.30 1nqa h SER 330 N 1.21 0.00 -0.01 0.00 4.64 -0.15 -1.05 113.55 118.19 1nqa h SER 330 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1nqa h SER 330 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nqa h SER 330 CO -0.04 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.20 1nqa n LYS 331 N -2.44 1.79 -0.02 4.77 4.76 -0.82 -5.03 118.16 121.17 1nqa n LYS 331 Ca -0.00 -1.16 0.00 0.00 -2.87 0.00 0.00 58.31 54.28 1nqa n LYS 331 Cb 0.13 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1nqa n LYS 331 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqa n GLY 332 N 1.22 0.67 0.52 0.72 0.00 -0.40 -4.89 105.19 103.04 1nqa n GLY 332 Ca 0.18 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 44.99 1nqa n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36