#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqt n PRO 7 N 0.00 0.66 -3.75 0.11 -0.02 -1.26 -5.07 135.00 125.67 1nqt n PRO 7 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 1nqt n PRO 7 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.46 1nqt n PRO 7 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1nqt s ASN 8 N -1.00 6.34 0.09 2.55 0.01 -1.26 -4.97 114.94 116.71 1nqt s ASN 8 Ca 0.00 0.29 0.10 0.00 -0.71 0.00 0.00 52.86 52.54 1nqt s ASN 8 Cb 0.00 -1.96 0.48 0.00 0.41 0.00 0.00 41.25 40.19 1nqt s ASN 8 CO 0.00 -0.08 1.32 2.22 -1.51 0.00 0.00 177.10 179.05 1nqt n PHE 9 N -1.05 0.22 0.00 2.20 1.16 -1.26 -1.71 117.46 117.02 1nqt n PHE 9 Ca -0.06 0.11 0.00 0.00 -1.87 0.00 0.00 57.45 55.62 1nqt n PHE 9 Cb 0.55 -0.67 0.00 0.00 -1.61 0.00 0.00 39.48 37.75 1nqt n PHE 9 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 1nqt n PHE 10 N -1.72 0.00 -0.28 2.97 7.35 -1.26 -2.94 117.46 121.58 1nqt n PHE 10 Ca 0.01 0.00 0.17 0.00 -0.76 0.00 0.00 57.45 56.86 1nqt n PHE 10 Cb 0.08 -0.41 0.32 0.00 0.35 0.00 0.00 39.48 39.82 1nqt n PHE 10 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 1nqt n LYS 11 N -1.75 -0.06 -0.09 -4.13 4.76 -1.07 0.40 118.16 116.22 1nqt n LYS 11 Ca 0.00 1.21 -0.10 0.00 -2.87 0.00 0.00 58.31 56.55 1nqt n LYS 11 Cb 0.00 -1.99 -0.03 0.00 -1.84 0.00 0.00 35.03 31.17 1nqt n LYS 11 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 1nqt h MET 12 N 0.00 0.41 0.48 1.97 2.86 -1.45 0.13 114.93 119.32 1nqt h MET 12 Ca 0.56 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 58.11 1nqt h MET 12 Cb 1.28 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1nqt h MET 12 CO -0.74 0.41 -0.23 0.28 1.06 0.00 0.00 176.91 177.70 1nqt h VAL 13 N 0.31 0.34 -0.93 -2.22 2.07 0.07 -0.87 116.25 115.02 1nqt h VAL 13 Ca 0.09 -0.50 0.19 0.00 0.82 0.00 0.00 66.70 67.31 1nqt h VAL 13 Cb 0.15 0.49 -0.18 0.00 -1.52 0.00 0.00 31.29 30.24 1nqt h VAL 13 CO -0.01 0.06 -0.22 1.21 0.02 0.00 0.00 177.57 178.63 1nqt n GLU 14 N -5.24 -0.08 0.13 1.57 4.07 -0.13 -0.02 120.64 120.94 1nqt n GLU 14 Ca -0.10 1.44 -0.08 0.00 -0.06 0.00 0.00 57.16 58.36 1nqt n GLU 14 Cb 0.30 -2.16 -0.04 0.00 -0.06 0.00 0.00 31.44 29.48 1nqt n GLU 14 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 1nqt h GLY 15 N 0.00 -0.92 -1.55 8.31 0.00 -0.56 -1.45 103.07 106.89 1nqt h GLY 15 Ca 0.45 0.41 0.51 0.00 0.00 0.00 0.00 47.33 48.70 1nqt h GLY 15 CO -0.95 -0.31 1.07 0.74 0.00 0.00 0.00 176.54 177.09 1nqt h PHE 16 N -0.44 0.33 0.08 5.60 0.05 0.92 0.14 116.94 123.63 1nqt h PHE 16 Ca -0.03 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.77 1nqt h PHE 16 Cb 0.38 -0.08 0.00 0.00 2.00 0.00 0.00 35.95 38.25 1nqt h PHE 16 CO -0.13 -0.18 -0.04 0.35 -0.18 0.00 0.00 178.31 178.13 1nqt h PHE 17 N 0.01 -0.10 -0.98 -0.55 3.57 0.18 -2.86 116.94 116.21 1nqt h PHE 17 Ca 0.90 -0.00 0.41 0.00 3.53 0.00 0.00 57.97 62.81 1nqt h PHE 17 Cb 3.14 0.03 -0.18 0.00 2.79 0.00 0.00 35.95 41.74 1nqt h PHE 17 CO -0.00 -0.06 0.52 -0.25 -2.23 0.00 0.00 178.31 176.29 1nqt n ASP 18 N -2.53 0.34 0.00 0.41 8.00 -0.07 -0.55 116.55 122.14 1nqt n ASP 18 Ca -0.01 1.63 0.00 0.00 0.71 0.00 0.00 54.79 57.11 1nqt n ASP 18 Cb 0.04 -0.79 0.00 0.00 -0.02 0.00 0.00 41.12 40.35 1nqt n ASP 18 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1nqt n ARG 19 N -5.22 0.00 0.08 -1.24 0.00 0.30 -1.94 116.66 108.65 1nqt n ARG 19 Ca 0.37 0.47 0.19 0.00 -0.00 0.00 0.00 57.85 58.88 1nqt n ARG 19 Cb 1.26 -1.46 0.74 0.00 0.00 0.00 0.00 32.46 33.00 1nqt n ARG 19 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 1nqt h GLY 20 N 0.00 0.00 0.85 5.14 0.00 -1.03 -2.27 103.07 105.76 1nqt h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1nqt h GLY 20 CO 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 1nqt h ALA 21 N 1.67 -0.36 0.17 3.60 0.00 -0.69 -2.48 119.26 121.17 1nqt h ALA 21 Ca 0.19 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1nqt h ALA 21 Cb 0.90 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1nqt h ALA 21 CO -0.00 -0.63 -0.12 1.03 0.00 0.00 0.00 179.25 179.53 1nqt h SER 22 N -0.52 -0.33 -1.01 0.00 0.87 -0.82 -1.43 113.55 110.32 1nqt h SER 22 Ca -0.04 0.02 0.29 0.00 -1.23 0.00 0.00 61.79 60.84 1nqt h SER 22 Cb 0.38 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.40 1nqt h SER 22 CO 0.06 -0.18 1.16 -0.38 -0.53 0.00 0.00 176.83 176.96 1nqt n ILE 23 N -3.01 0.00 -0.10 2.23 5.41 -1.02 -1.38 119.36 121.48 1nqt n ILE 23 Ca -0.03 1.19 -0.23 0.00 1.00 0.00 0.00 62.75 64.67 1nqt n ILE 23 Cb 0.12 -2.13 -0.12 0.00 -0.71 0.00 0.00 39.64 36.81 1nqt n ILE 23 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 1nqt n VAL 24 N -3.15 1.57 0.00 1.39 0.24 -0.93 -4.60 118.33 112.84 1nqt n VAL 24 Ca 0.23 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 62.09 1nqt n VAL 24 Cb 1.46 -1.73 0.00 0.00 -1.47 0.00 0.00 33.84 32.10 1nqt n VAL 24 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1nqt n GLU 25 N -3.82 0.00 -0.19 7.34 2.13 -0.48 0.81 120.64 126.42 1nqt n GLU 25 Ca -0.44 0.20 -0.09 0.00 0.66 0.00 0.00 57.16 57.49 1nqt n GLU 25 Cb 0.92 -0.30 -0.07 0.00 0.27 0.00 0.00 31.44 32.26 1nqt n GLU 25 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 1nqt h ASP 26 N 0.00 -1.40 -0.64 4.31 3.32 -1.83 -0.62 116.42 119.55 1nqt h ASP 26 Ca 0.00 0.20 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1nqt h ASP 26 Cb 0.00 0.60 -0.04 0.00 0.22 0.00 0.00 39.33 40.10 1nqt h ASP 26 CO 0.00 -0.23 0.39 0.11 -1.72 0.00 0.00 179.24 177.79 1nqt h LYS 27 N -0.15 0.72 -0.01 3.56 1.79 -0.89 -2.60 116.57 119.00 1nqt h LYS 27 Ca 0.08 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 1nqt h LYS 27 Cb 0.36 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1nqt h LYS 27 CO -0.53 0.48 0.00 -0.11 -1.08 0.00 0.00 179.45 178.21 1nqt n LEU 28 N -4.73 0.01 0.00 2.94 7.94 0.24 -2.53 117.00 120.87 1nqt n LEU 28 Ca 0.07 -0.01 0.00 0.00 -1.11 0.00 0.00 56.01 54.96 1nqt n LEU 28 Cb 0.11 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 44.05 1nqt n LEU 28 CO 0.32 0.00 -0.09 0.52 -1.11 0.00 0.00 177.39 177.03 1nqt n VAL 29 N -0.08 0.00 0.00 1.96 0.31 -1.00 -4.86 118.33 114.66 1nqt n VAL 29 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1nqt n VAL 29 Cb 0.00 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 1nqt n VAL 29 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1nqt n GLU 30 N -2.47 0.41 0.00 5.55 1.02 -1.05 -1.95 120.64 122.14 1nqt n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1nqt n GLU 30 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.51 1nqt n GLU 30 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1nqt n ASP 31 N 0.00 0.00 -2.13 1.62 2.03 -1.26 -0.30 116.55 116.51 1nqt n ASP 31 Ca 0.00 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.15 1nqt n ASP 31 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 1nqt n ASP 31 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nqt n LEU 32 N -1.23 5.60 0.00 -2.67 4.77 -1.24 -4.49 117.00 117.75 1nqt n LEU 32 Ca 0.00 -3.42 0.00 0.00 -0.03 0.00 0.00 56.01 52.56 1nqt n LEU 32 Cb 0.00 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 39.73 1nqt n LEU 32 CO 0.00 1.69 0.00 0.54 -1.33 0.00 0.00 177.39 178.29 1nqt n ARG 33 N 2.00 0.00 0.00 3.23 5.12 0.59 -4.52 116.66 123.09 1nqt n ARG 33 Ca 0.44 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.36 1nqt n ARG 33 Cb 0.80 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 32.10 1nqt n ARG 33 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1nqt n THR 34 N 0.00 0.00 -0.10 0.55 -2.24 -0.82 -3.44 114.28 108.22 1nqt n THR 34 Ca 0.00 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.70 1nqt n THR 34 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1nqt n THR 34 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1nqt h ARG 35 N 0.00 0.39 -2.85 -0.78 3.08 -1.89 -3.21 114.38 109.12 1nqt h ARG 35 Ca 0.00 -0.02 -0.66 0.00 0.07 0.00 0.00 59.98 59.36 1nqt h ARG 35 Cb 0.00 -0.09 -0.38 0.00 0.08 0.00 0.00 29.97 29.58 1nqt h ARG 35 CO 0.00 0.26 -0.26 -0.85 -1.07 0.00 0.00 179.97 178.05 1nqt n GLU 36 N -4.90 2.64 -3.38 0.04 -0.00 -1.22 -5.06 120.64 108.76 1nqt n GLU 36 Ca 0.00 -4.56 -0.40 0.00 -0.00 0.00 0.00 57.16 52.21 1nqt n GLU 36 Cb 0.06 -2.35 -0.09 0.00 -0.00 0.00 0.00 31.44 29.07 1nqt n GLU 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1nqt s SER 37 N -1.42 6.23 -0.09 -1.84 1.04 -1.22 -5.06 113.70 111.34 1nqt s SER 37 Ca 0.31 0.13 -0.11 0.00 0.48 0.00 0.00 55.95 56.76 1nqt s SER 37 Cb 0.02 -2.21 -0.05 0.00 0.10 0.00 0.00 66.02 63.89 1nqt s SER 37 CO -0.07 -0.24 0.26 -1.61 0.98 0.00 0.00 173.24 172.56 1nqt s GLU 38 N 2.08 3.80 0.00 4.02 0.41 -1.26 -4.71 118.70 123.03 1nqt s GLU 38 Ca 0.14 0.10 0.00 0.00 -0.41 0.00 0.00 54.97 54.80 1nqt s GLU 38 Cb -0.16 -3.26 0.00 0.00 -1.78 0.00 0.00 34.13 28.93 1nqt s GLU 38 CO 0.11 0.62 0.00 0.39 -0.49 0.00 0.00 175.26 175.89 1nqt n GLU 39 N 2.30 -0.35 -0.53 1.61 1.02 -1.26 -2.47 120.64 120.96 1nqt n GLU 39 Ca -0.16 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.96 1nqt n GLU 39 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.95 1nqt n GLU 39 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1nqt n GLN 40 N -0.14 -1.67 0.00 3.49 1.13 -1.26 -4.58 117.38 114.35 1nqt n GLN 40 Ca 0.00 0.15 0.11 0.00 -1.94 0.00 0.00 57.00 55.32 1nqt n GLN 40 Cb 0.00 -3.47 0.66 0.00 0.11 0.00 0.00 30.24 27.54 1nqt n GLN 40 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nqt n LYS 41 N -0.33 0.85 0.00 -1.09 5.02 -1.03 -2.75 118.16 118.82 1nqt n LYS 41 Ca -0.02 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.37 1nqt n LYS 41 Cb 0.11 -1.41 0.49 0.00 -0.02 0.00 0.00 35.03 34.20 1nqt n LYS 41 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nqt n ARG 42 N -0.91 0.28 0.00 1.97 5.12 -1.26 -0.04 116.66 121.82 1nqt n ARG 42 Ca 0.17 0.10 0.12 0.00 -1.93 0.00 0.00 57.85 56.31 1nqt n ARG 42 Cb 0.08 -1.50 0.25 0.00 -1.16 0.00 0.00 32.46 30.13 1nqt n ARG 42 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1nqt n ASN 43 N -1.28 0.50 -0.65 0.55 4.13 -1.11 -3.21 115.26 114.18 1nqt n ASN 43 Ca 0.09 -0.21 0.12 0.00 1.68 0.00 0.00 54.58 56.26 1nqt n ASN 43 Cb 0.15 0.24 0.38 0.00 -1.54 0.00 0.00 39.78 39.01 1nqt n ASN 43 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1nqt n ARG 44 N -1.54 1.89 -1.77 3.52 0.63 0.94 -3.70 116.66 116.63 1nqt n ARG 44 Ca 0.05 -1.31 -0.33 0.00 -0.92 0.00 0.00 57.85 55.34 1nqt n ARG 44 Cb 0.34 -1.46 0.05 0.00 0.45 0.00 0.00 32.46 31.84 1nqt n ARG 44 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 1nqt n VAL 45 N 0.56 3.26 -0.66 5.15 3.14 -1.20 -3.92 118.33 124.66 1nqt n VAL 45 Ca 0.17 -3.81 0.07 0.00 -2.96 0.00 0.00 64.34 57.81 1nqt n VAL 45 Cb 0.42 -1.19 0.14 0.00 -1.06 0.00 0.00 33.84 32.14 1nqt n VAL 45 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1nqt n ARG 46 N -0.72 2.33 -0.31 1.45 1.85 -1.24 -4.27 116.66 115.75 1nqt n ARG 46 Ca 0.54 -2.30 0.12 0.00 -1.00 0.00 0.00 57.85 55.20 1nqt n ARG 46 Cb 0.60 -1.43 0.28 0.00 -1.05 0.00 0.00 32.46 30.86 1nqt n ARG 46 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1nqt n GLY 47 N -0.70 2.27 0.13 2.89 0.00 -1.25 -3.58 105.19 104.94 1nqt n GLY 47 Ca 0.13 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.19 1nqt n GLY 47 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1nqt h ILE 48 N 4.28 0.82 -0.00 -0.61 1.08 -1.90 -3.20 117.51 117.98 1nqt h ILE 48 Ca 0.00 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.97 1nqt h ILE 48 Cb 0.98 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 37.34 1nqt h ILE 48 CO 0.00 0.83 -0.06 0.18 -0.69 0.00 0.00 178.15 178.41 1nqt n LEU 49 N -3.46 0.19 -0.19 1.44 4.32 -1.23 -0.97 117.00 117.09 1nqt n LEU 49 Ca -0.26 0.20 0.11 0.00 -0.02 0.00 0.00 56.01 56.04 1nqt n LEU 49 Cb 1.06 -0.27 0.11 0.00 -1.62 0.00 0.00 43.42 42.70 1nqt n LEU 49 CO 0.47 0.04 0.32 -1.14 -1.22 0.00 0.00 177.39 175.86 1nqt n ARG 50 N -1.20 0.52 -0.12 3.23 0.63 -1.22 -3.47 116.66 115.02 1nqt n ARG 50 Ca 0.13 -0.38 -0.25 0.00 -0.92 0.00 0.00 57.85 56.43 1nqt n ARG 50 Cb 0.27 -1.49 -0.10 0.00 0.45 0.00 0.00 32.46 31.59 1nqt n ARG 50 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1nqt n ILE 51 N -0.91 1.52 0.01 5.15 5.41 -1.04 -4.42 119.36 125.09 1nqt n ILE 51 Ca 0.08 -0.22 0.20 0.00 1.00 0.00 0.00 62.75 63.80 1nqt n ILE 51 Cb 0.37 -1.98 0.69 0.00 -0.71 0.00 0.00 39.64 38.01 1nqt n ILE 51 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1nqt h ILE 52 N -1.00 0.74 0.44 1.39 2.04 -1.19 -3.21 117.51 116.73 1nqt h ILE 52 Ca -0.52 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1nqt h ILE 52 Cb 1.44 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1nqt h ILE 52 CO -0.32 0.00 -0.21 0.50 0.00 0.00 0.00 178.15 178.12 1nqt h LYS 53 N 0.00 -0.57 -7.12 2.37 3.64 -1.77 -3.45 116.57 109.67 1nqt h LYS 53 Ca 0.24 0.04 -0.47 0.00 -1.27 0.00 0.00 60.65 59.19 1nqt h LYS 53 Cb 0.96 0.13 0.02 0.00 -0.41 0.00 0.00 32.23 32.93 1nqt h LYS 53 CO -0.00 -0.27 0.37 -1.25 -2.27 0.00 0.00 179.45 176.03 1nqt s PRO 54 N -4.80 3.85 0.10 1.90 0.04 -1.21 -5.01 135.00 129.87 1nqt s PRO 54 Ca -0.14 1.17 -0.31 0.00 0.04 0.00 0.00 61.00 61.76 1nqt s PRO 54 Cb 0.02 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 1nqt s PRO 54 CO 0.52 -0.37 1.44 0.00 0.04 0.00 0.00 177.00 178.63 1nqt h ASN 56 N 7.10 0.24 -3.84 0.00 2.35 -0.43 -3.45 115.58 117.55 1nqt h ASN 56 Ca -0.42 -0.16 -0.22 0.00 -0.55 0.00 0.00 56.30 54.96 1nqt h ASN 56 Cb 1.20 -0.07 -0.27 0.00 0.05 0.00 0.00 38.32 39.23 1nqt h ASN 56 CO 0.88 0.87 -0.67 -1.00 -1.65 0.00 0.00 177.43 175.86 1nqt s HIS 57 N -3.51 -0.02 -0.03 1.19 3.76 -1.08 -5.06 115.29 110.53 1nqt s HIS 57 Ca -0.03 0.06 0.00 0.00 -0.15 0.00 0.00 55.06 54.94 1nqt s HIS 57 Cb 0.11 0.00 0.03 0.00 1.11 0.00 0.00 32.58 33.83 1nqt s HIS 57 CO 0.81 -0.03 0.00 0.54 -0.85 0.00 0.00 174.74 175.21 1nqt s VAL 58 N -0.09 0.15 -0.16 -0.90 0.11 -1.26 -0.72 120.40 117.53 1nqt s VAL 58 Ca -0.01 0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1nqt s VAL 58 Cb -0.01 -0.26 -0.01 0.00 -1.53 0.00 0.00 36.38 34.57 1nqt s VAL 58 CO 0.00 0.14 -0.12 -0.22 -3.33 0.00 0.00 175.10 171.57 1nqt s LEU 59 N 1.08 2.66 -0.03 2.54 2.96 0.97 -4.99 118.68 123.87 1nqt s LEU 59 Ca -0.09 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1nqt s LEU 59 Cb -0.13 -1.62 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1nqt s LEU 59 CO -0.02 0.09 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.57 1nqt s SER 60 N 0.81 4.44 0.44 3.68 0.01 -1.26 -0.86 113.70 120.96 1nqt s SER 60 Ca -0.04 -0.14 0.04 0.00 1.31 0.00 0.00 55.95 57.12 1nqt s SER 60 Cb -0.15 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 1nqt s SER 60 CO 0.01 0.32 0.12 -0.76 0.41 0.00 0.00 173.24 173.34 1nqt s LEU 61 N -1.08 2.02 -0.37 2.44 1.43 0.97 -4.99 118.68 119.09 1nqt s LEU 61 Ca 0.14 -1.72 -0.02 0.00 -1.03 0.00 0.00 54.13 51.50 1nqt s LEU 61 Cb -0.11 -0.15 0.19 0.00 0.03 0.00 0.00 46.19 46.15 1nqt s LEU 61 CO 0.04 -0.97 0.88 -0.94 0.23 0.00 0.00 176.35 175.59 1nqt s SER 62 N -3.67 -0.84 0.18 2.29 1.04 -1.26 -3.69 113.70 107.76 1nqt s SER 62 Ca 0.19 -0.55 0.10 0.00 0.48 0.00 0.00 55.95 56.17 1nqt s SER 62 Cb 0.01 1.08 -0.04 0.00 0.10 0.00 0.00 66.02 67.17 1nqt s SER 62 CO 0.13 -0.08 -0.16 0.72 0.98 0.00 0.00 173.24 174.83 1nqt s PHE 63 N 1.69 2.49 0.06 5.02 -0.12 -0.21 -4.81 117.98 122.10 1nqt s PHE 63 Ca 0.18 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1nqt s PHE 63 Cb 0.02 -1.23 -0.04 0.00 -0.63 0.00 0.00 43.02 41.14 1nqt s PHE 63 CO -0.11 0.50 0.04 -1.25 -0.05 0.00 0.00 175.22 174.35 1nqt s PRO 64 N -2.71 2.77 0.19 1.99 0.04 -1.26 0.86 135.00 136.87 1nqt s PRO 64 Ca 0.23 -0.71 0.06 0.00 0.04 0.00 0.00 61.00 60.62 1nqt s PRO 64 Cb -0.09 -2.67 -0.05 0.00 0.04 0.00 0.00 34.50 31.74 1nqt s PRO 64 CO 0.13 0.58 -0.11 0.96 0.04 0.00 0.00 177.00 178.59 1nqt s ILE 65 N -1.29 1.42 -0.31 0.56 -4.36 -0.52 -4.99 121.20 111.71 1nqt s ILE 65 Ca 0.26 -2.13 -0.07 0.00 -0.26 0.00 0.00 60.65 58.45 1nqt s ILE 65 Cb -0.12 -2.01 0.01 0.00 1.25 0.00 0.00 42.46 41.59 1nqt s ILE 65 CO 0.18 -0.62 0.10 -0.60 0.24 0.00 0.00 174.94 174.25 1nqt s ARG 66 N -3.71 3.03 0.20 0.37 3.52 -1.26 -2.29 118.95 118.81 1nqt s ARG 66 Ca 0.21 -0.90 -0.30 0.00 -0.13 0.00 0.00 55.73 54.61 1nqt s ARG 66 Cb 0.02 -3.44 -0.08 0.00 -1.56 0.00 0.00 34.95 29.88 1nqt s ARG 66 CO 0.05 -0.49 1.22 1.03 -0.81 0.00 0.00 175.30 176.29 1nqt s ARG 67 N 1.50 4.47 0.02 5.12 0.52 0.26 -4.83 118.95 126.02 1nqt s ARG 67 Ca 0.02 1.92 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 1nqt s ARG 67 Cb -0.18 -3.22 0.05 0.00 0.52 0.00 0.00 34.95 32.12 1nqt s ARG 67 CO 0.03 -0.10 0.11 -0.25 0.02 0.00 0.00 175.30 175.10 1nqt n ASP 68 N 2.36 -0.01 -0.08 0.23 9.92 -1.26 0.21 116.55 127.91 1nqt n ASP 68 Ca 0.04 0.11 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1nqt n ASP 68 Cb 0.44 -0.04 0.00 0.00 -0.64 0.00 0.00 41.12 40.88 1nqt n ASP 68 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1nqt n ASP 69 N -3.83 0.11 0.00 -2.24 5.68 -1.26 -4.85 116.55 110.16 1nqt n ASP 69 Ca 0.02 -1.32 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1nqt n ASP 69 Cb 0.05 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 1nqt n ASP 69 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nqt n GLY 70 N 0.16 2.78 3.76 6.12 0.00 0.56 -5.04 105.19 113.54 1nqt n GLY 70 Ca 0.00 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1nqt n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqt s SER 71 N 0.58 5.50 -0.16 1.61 0.15 -1.23 -4.66 113.70 115.50 1nqt s SER 71 Ca 0.00 2.38 -0.10 0.00 0.70 0.00 0.00 55.95 58.93 1nqt s SER 71 Cb 0.00 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 1nqt s SER 71 CO 0.00 -1.38 0.17 0.26 1.20 0.00 0.00 173.24 173.49 1nqt s TRP 72 N -1.58 3.49 -0.00 3.44 0.51 -1.26 -0.57 118.94 122.96 1nqt s TRP 72 Ca 0.73 0.46 0.01 0.00 -2.12 0.00 0.00 56.10 55.18 1nqt s TRP 72 Cb -0.30 -2.13 -0.00 0.00 -0.81 0.00 0.00 33.47 30.23 1nqt s TRP 72 CO 0.34 0.43 -0.03 -2.00 -0.51 0.00 0.00 176.95 175.18 1nqt s GLU 73 N -0.09 0.26 0.18 4.98 2.12 -0.97 -4.99 118.70 120.19 1nqt s GLU 73 Ca 0.12 -0.10 -0.11 0.00 0.36 0.00 0.00 54.97 55.24 1nqt s GLU 73 Cb -0.12 -0.26 -0.07 0.00 0.26 0.00 0.00 34.13 33.95 1nqt s GLU 73 CO 0.01 0.06 0.52 0.14 -0.54 0.00 0.00 175.26 175.45 1nqt s VAL 74 N -0.02 4.94 -0.07 3.70 -7.23 -1.26 -1.44 120.40 119.02 1nqt s VAL 74 Ca 0.01 0.55 0.02 0.00 -1.81 0.00 0.00 61.98 60.75 1nqt s VAL 74 Cb -0.02 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.28 1nqt s VAL 74 CO -0.00 0.08 -0.13 -0.63 -0.31 0.00 0.00 175.10 174.10 1nqt s ILE 75 N -1.65 1.23 0.20 -0.62 1.01 0.25 -4.93 121.20 116.69 1nqt s ILE 75 Ca 0.42 -0.53 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 1nqt s ILE 75 Cb -0.13 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 1nqt s ILE 75 CO 0.20 0.38 0.41 -1.61 0.00 0.00 0.00 174.94 174.32 1nqt s GLU 76 N 0.63 3.56 -0.17 2.79 2.02 -1.26 -1.04 118.70 125.23 1nqt s GLU 76 Ca -0.15 -0.23 -0.34 0.00 0.02 0.00 0.00 54.97 54.28 1nqt s GLU 76 Cb -0.16 -2.81 0.14 0.00 0.10 0.00 0.00 34.13 31.40 1nqt s GLU 76 CO 0.04 0.38 1.16 0.20 0.02 0.00 0.00 175.26 177.07 1nqt s GLY 77 N -3.00 -0.29 0.02 -1.39 0.00 -1.24 -1.33 107.32 100.10 1nqt s GLY 77 Ca 0.40 1.64 -0.07 0.00 0.00 0.00 0.00 44.72 46.70 1nqt s GLY 77 CO 0.28 0.58 0.13 -0.19 0.00 0.00 0.00 173.10 173.90 1nqt s TYR 78 N -2.32 0.10 0.01 1.90 1.51 0.43 -0.02 117.35 118.96 1nqt s TYR 78 Ca 0.08 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1nqt s TYR 78 Cb -0.01 -0.08 -0.01 0.00 -0.11 0.00 0.00 41.96 41.75 1nqt s TYR 78 CO -0.05 -0.32 -0.11 0.50 -1.11 0.00 0.00 175.55 174.46 1nqt s ARG 79 N -1.89 0.83 -0.05 -0.62 3.52 -0.04 0.19 118.95 120.90 1nqt s ARG 79 Ca -0.11 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1nqt s ARG 79 Cb -0.05 -0.80 0.00 0.00 -1.56 0.00 0.00 34.95 32.54 1nqt s ARG 79 CO -0.01 0.21 -0.14 0.00 -0.81 0.00 0.00 175.30 174.56 1nqt s ALA 80 N -0.46 1.28 -0.36 6.12 0.00 0.10 -0.02 121.76 128.42 1nqt s ALA 80 Ca 0.02 -0.52 -0.06 0.00 0.00 0.00 0.00 51.96 51.41 1nqt s ALA 80 Cb -0.05 -0.48 0.06 0.00 0.00 0.00 0.00 23.12 22.65 1nqt s ALA 80 CO 0.00 0.19 0.13 -0.65 0.00 0.00 0.00 175.76 175.44 1nqt s GLN 81 N 0.26 2.52 0.00 0.00 -0.21 0.11 -0.84 119.66 121.50 1nqt s GLN 81 Ca -0.07 -1.32 0.00 0.00 0.02 0.00 0.00 55.36 53.99 1nqt s GLN 81 Cb -0.12 -3.50 0.00 0.00 1.00 0.00 0.00 33.01 30.39 1nqt s GLN 81 CO 0.02 -0.76 0.46 1.58 -2.12 0.00 0.00 175.29 174.46 1nqt n HIS 82 N 4.78 0.00 -4.30 0.91 -0.00 0.68 -2.61 115.22 114.69 1nqt n HIS 82 Ca -0.11 0.00 -0.23 0.00 -0.00 0.00 0.00 57.72 57.38 1nqt n HIS 82 Cb 0.44 -0.03 -0.07 0.00 -0.00 0.00 0.00 29.99 30.33 1nqt n HIS 82 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1nqt s SER 83 N -1.88 4.52 0.00 0.26 0.15 -1.24 -0.34 113.70 115.17 1nqt s SER 83 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1nqt s SER 83 Cb 0.00 -0.83 0.00 0.00 -1.71 0.00 0.00 66.02 63.48 1nqt s SER 83 CO 0.00 0.01 0.54 1.41 1.20 0.00 0.00 173.24 176.40 1nqt n HIS 84 N -0.85 0.00 -0.29 3.44 -0.00 -1.26 -4.04 115.22 112.21 1nqt n HIS 84 Ca -0.07 -0.08 0.14 0.00 -0.00 0.00 0.00 57.72 57.71 1nqt n HIS 84 Cb 0.59 -0.01 0.27 0.00 -0.00 0.00 0.00 29.99 30.84 1nqt n HIS 84 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1nqt n GLN 85 N -0.08 -0.07 -4.25 -0.41 10.64 -1.26 -3.31 117.38 118.63 1nqt n GLN 85 Ca 0.00 1.25 -0.34 0.00 -1.83 0.00 0.00 57.00 56.08 1nqt n GLN 85 Cb 0.07 -2.01 -0.11 0.00 -0.86 0.00 0.00 30.24 27.32 1nqt n GLN 85 CO 0.00 0.00 0.00 0.50 -1.83 0.00 0.00 177.06 175.73 1nqt s ARG 86 N -5.75 3.75 0.00 2.61 6.06 -1.26 -4.99 118.95 119.37 1nqt s ARG 86 Ca -0.11 -0.47 0.00 0.00 -2.50 0.00 0.00 55.73 52.65 1nqt s ARG 86 Cb 0.25 -3.02 0.00 0.00 0.06 0.00 0.00 34.95 32.24 1nqt s ARG 86 CO 0.66 0.23 0.87 2.41 -2.50 0.00 0.00 175.30 176.96 1nqt n THR 87 N 3.61 0.00 -2.22 4.11 -1.04 -1.21 -3.57 114.28 113.96 1nqt n THR 87 Ca -0.17 1.37 -0.43 0.00 -2.04 0.00 0.00 64.05 62.77 1nqt n THR 87 Cb 0.52 -2.08 -0.02 0.00 -1.82 0.00 0.00 70.33 66.93 1nqt n THR 87 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1nqt s PRO 88 N -2.46 3.49 0.03 -2.82 0.04 -1.26 -4.62 135.00 127.40 1nqt s PRO 88 Ca 0.00 1.11 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1nqt s PRO 88 Cb 0.00 -4.09 -0.07 0.00 0.04 0.00 0.00 34.50 30.38 1nqt s PRO 88 CO 0.00 -1.67 1.60 0.00 0.04 0.00 0.00 177.00 176.96 1nqt s LYS 90 N 2.82 2.91 0.00 0.00 2.47 0.12 0.31 119.74 128.37 1nqt s LYS 90 Ca 0.72 -1.02 0.00 0.00 -1.56 0.00 0.00 55.97 54.10 1nqt s LYS 90 Cb -0.37 -2.58 0.00 0.00 -1.46 0.00 0.00 37.83 33.43 1nqt s LYS 90 CO 0.31 0.42 0.00 0.41 0.16 0.00 0.00 175.35 176.64 1nqt n GLY 91 N -1.01 4.23 1.19 5.54 0.00 -1.16 -0.10 105.19 113.88 1nqt n GLY 91 Ca -0.08 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 1nqt n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqt n GLY 92 N -1.39 -2.83 2.71 -0.02 0.00 -1.25 -2.98 105.19 99.43 1nqt n GLY 92 Ca 0.00 -1.42 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 1nqt n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqt s ILE 93 N -1.62 0.14 -0.13 -0.61 1.01 1.00 -0.70 121.20 120.29 1nqt s ILE 93 Ca 0.24 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 61.05 1nqt s ILE 93 Cb -0.03 -0.40 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 1nqt s ILE 93 CO 0.19 0.16 0.00 -0.60 0.00 0.00 0.00 174.94 174.69 1nqt s ARG 94 N 2.06 3.45 -0.36 2.79 6.06 0.57 -3.63 118.95 129.90 1nqt s ARG 94 Ca 0.04 -0.43 -0.06 0.00 -2.50 0.00 0.00 55.73 52.79 1nqt s ARG 94 Cb -0.13 -2.94 0.06 0.00 0.06 0.00 0.00 34.95 32.01 1nqt s ARG 94 CO -0.05 0.45 0.13 0.71 -2.50 0.00 0.00 175.30 174.04 1nqt s TYR 95 N -0.18 3.33 -0.28 5.12 4.12 -1.26 -0.21 117.35 127.99 1nqt s TYR 95 Ca 0.05 -1.69 -0.25 0.00 0.02 0.00 0.00 57.07 55.20 1nqt s TYR 95 Cb -0.13 -2.53 0.15 0.00 -1.52 0.00 0.00 41.96 37.93 1nqt s TYR 95 CO 0.02 -0.81 1.19 0.45 0.02 0.00 0.00 175.55 176.42 1nqt s SER 96 N 1.59 -0.29 0.28 2.29 0.15 -0.91 -4.68 113.70 112.13 1nqt s SER 96 Ca 0.00 0.55 0.02 0.00 0.70 0.00 0.00 55.95 57.22 1nqt s SER 96 Cb -0.21 0.55 0.67 0.00 -1.71 0.00 0.00 66.02 65.33 1nqt s SER 96 CO 0.01 -0.11 1.71 0.71 1.20 0.00 0.00 173.24 176.75 1nqt h THR 97 N 3.32 0.52 -0.22 6.45 1.35 -1.81 -2.14 112.91 120.38 1nqt h THR 97 Ca -0.27 -0.15 0.06 0.00 -0.55 0.00 0.00 66.41 65.51 1nqt h THR 97 Cb 1.18 0.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 1nqt h THR 97 CO 0.15 0.08 0.25 -2.24 -0.25 0.00 0.00 175.52 173.50 1nqt h ASP 98 N 0.43 0.00 -1.72 5.36 3.04 -1.95 -3.45 116.42 118.13 1nqt h ASP 98 Ca 0.53 0.00 -0.66 0.00 -3.24 0.00 0.00 57.03 53.66 1nqt h ASP 98 Cb 0.97 0.00 0.09 0.00 -1.04 0.00 0.00 39.33 39.34 1nqt h ASP 98 CO -0.50 0.00 0.07 1.33 -2.04 0.00 0.00 179.24 178.10 1nqt n VAL 99 N -3.78 1.15 -3.96 4.15 0.24 -0.80 -5.00 118.33 110.33 1nqt n VAL 99 Ca 0.03 -0.29 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 1nqt n VAL 99 Cb 0.38 -0.60 -0.12 0.00 -1.47 0.00 0.00 33.84 32.03 1nqt n VAL 99 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1nqt s SER 100 N -0.28 0.23 0.20 -1.34 1.04 -1.26 -4.88 113.70 107.41 1nqt s SER 100 Ca 0.72 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.74 1nqt s SER 100 Cb -0.90 0.05 0.22 0.00 0.10 0.00 0.00 66.02 65.50 1nqt s SER 100 CO 0.55 -0.17 1.78 0.58 0.98 0.00 0.00 173.24 176.96 1nqt h VAL 101 N 4.84 0.90 -0.76 5.02 2.07 -1.98 0.13 116.25 126.46 1nqt h VAL 101 Ca -0.29 -0.18 0.11 0.00 0.82 0.00 0.00 66.70 67.16 1nqt h VAL 101 Cb 1.21 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.21 1nqt h VAL 101 CO 0.45 0.10 0.38 0.44 0.02 0.00 0.00 177.57 178.96 1nqt h ASP 102 N 0.54 0.48 0.26 0.57 5.19 -2.00 -1.64 116.42 119.82 1nqt h ASP 102 Ca 0.28 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.76 1nqt h ASP 102 Cb 0.24 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1nqt h ASP 102 CO -0.22 0.25 -0.20 -0.08 -3.12 0.00 0.00 179.24 175.88 1nqt h GLU 103 N 0.61 -0.44 -0.55 3.56 4.81 -1.17 -1.75 114.58 119.65 1nqt h GLU 103 Ca 0.39 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.72 1nqt h GLU 103 Cb 0.47 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.89 1nqt h GLU 103 CO -0.31 -0.30 0.25 -0.39 -0.73 0.00 0.00 179.01 177.54 1nqt h VAL 104 N -0.46 0.88 -0.28 0.32 -1.51 -0.97 0.14 116.25 114.38 1nqt h VAL 104 Ca -0.02 -0.16 0.07 0.00 -1.23 0.00 0.00 66.70 65.36 1nqt h VAL 104 Cb 0.40 0.37 -0.07 0.00 -2.13 0.00 0.00 31.29 29.86 1nqt h VAL 104 CO -0.01 0.09 -0.18 0.11 -1.23 0.00 0.00 177.57 176.35 1nqt h LYS 105 N 0.47 -0.14 -0.05 5.19 1.57 -1.09 0.90 116.57 123.43 1nqt h LYS 105 Ca 0.26 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1nqt h LYS 105 Cb 0.23 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1nqt h LYS 105 CO -0.22 -0.10 0.03 0.00 -0.57 0.00 0.00 179.45 178.60 1nqt h ALA 106 N 1.03 0.06 -0.64 3.86 0.00 -0.44 0.75 119.26 123.87 1nqt h ALA 106 Ca 0.15 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1nqt h ALA 106 Cb 0.38 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1nqt h ALA 106 CO -0.38 -0.45 0.08 -0.07 0.00 0.00 0.00 179.25 178.44 1nqt h LEU 107 N 0.06 1.03 -0.16 0.00 4.07 -0.09 -0.62 115.31 119.60 1nqt h LEU 107 Ca 0.02 -0.25 0.05 0.00 0.08 0.00 0.00 57.88 57.78 1nqt h LEU 107 Cb -0.01 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.39 1nqt h LEU 107 CO -0.01 1.03 -0.34 0.00 -1.08 0.00 0.00 178.44 178.05 1nqt h ALA 108 N 1.08 -0.39 -0.87 1.53 0.00 0.13 -0.73 119.26 120.02 1nqt h ALA 108 Ca 0.19 0.02 0.22 0.00 0.00 0.00 0.00 54.91 55.35 1nqt h ALA 108 Cb 0.46 0.65 -0.15 0.00 0.00 0.00 0.00 17.79 18.75 1nqt h ALA 108 CO 0.02 -0.81 0.11 1.03 0.00 0.00 0.00 179.25 179.60 1nqt h SER 109 N -0.40 -0.22 -0.15 0.00 0.87 -0.28 0.12 113.55 113.48 1nqt h SER 109 Ca 0.10 0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 1nqt h SER 109 Cb 0.56 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1nqt h SER 109 CO -0.38 -0.21 0.07 0.25 -0.53 0.00 0.00 176.83 176.02 1nqt h LEU 110 N 0.12 0.21 -2.02 2.23 5.85 0.30 -3.03 115.31 118.97 1nqt h LEU 110 Ca 0.52 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 59.21 1nqt h LEU 110 Cb 1.02 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1nqt h LEU 110 CO -0.72 0.30 0.31 0.24 -0.34 0.00 0.00 178.44 178.22 1nqt h MET 111 N 0.10 0.00 -0.31 1.25 2.86 0.20 0.30 114.93 119.33 1nqt h MET 111 Ca 0.05 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1nqt h MET 111 Cb 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.81 1nqt h MET 111 CO -0.00 0.00 -0.39 1.79 1.06 0.00 0.00 176.91 179.37 1nqt h THR 112 N 0.00 1.29 -0.07 2.22 1.35 -1.34 -1.59 112.91 114.77 1nqt h THR 112 Ca 0.19 -1.57 -0.24 0.00 -0.55 0.00 0.00 66.41 64.25 1nqt h THR 112 Cb 0.80 1.57 0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1nqt h THR 112 CO -0.00 0.51 -0.89 1.88 -0.25 0.00 0.00 175.52 176.76 1nqt h TYR 113 N 0.58 0.98 -0.25 4.73 0.05 -1.16 -3.01 116.97 118.88 1nqt h TYR 113 Ca 0.04 -0.48 -0.05 0.00 0.05 0.00 0.00 58.73 58.29 1nqt h TYR 113 Cb 0.98 -0.13 -0.01 0.00 1.01 0.00 0.00 36.73 38.57 1nqt h TYR 113 CO 0.07 1.31 -0.07 -0.22 -1.05 0.00 0.00 178.16 178.20 1nqt h LYS 114 N 0.43 0.39 0.43 4.88 3.64 -0.41 -1.77 116.57 124.18 1nqt h LYS 114 Ca -0.08 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.19 1nqt h LYS 114 Cb 1.53 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 1nqt h LYS 114 CO 0.18 0.48 -0.21 0.00 -2.27 0.00 0.00 179.45 177.63 1nqt n ALA 116 N -2.44 -0.31 -0.30 0.00 0.00 -1.13 0.23 120.51 116.56 1nqt n ALA 116 Ca -0.07 0.42 0.05 0.00 0.00 0.00 0.00 53.44 53.83 1nqt n ALA 116 Cb 0.23 -0.06 0.13 0.00 0.00 0.00 0.00 19.45 19.75 1nqt n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1nqt h VAL 117 N 0.00 0.16 -0.94 0.00 2.07 -1.29 0.29 116.25 116.54 1nqt h VAL 117 Ca 0.08 -0.00 -0.54 0.00 0.82 0.00 0.00 66.70 67.06 1nqt h VAL 117 Cb 0.20 0.15 -0.28 0.00 -1.52 0.00 0.00 31.29 29.83 1nqt h VAL 117 CO -0.46 0.00 0.69 1.33 0.02 0.00 0.00 177.57 179.15 1nqt n VAL 118 N -5.52 3.23 -3.99 2.57 0.24 0.63 -4.78 118.33 110.71 1nqt n VAL 118 Ca 0.14 -2.13 -0.29 0.00 -2.04 0.00 0.00 64.34 60.02 1nqt n VAL 118 Cb 0.47 -0.73 -0.08 0.00 -1.47 0.00 0.00 33.84 32.03 1nqt n VAL 118 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1nqt n ASP 119 N -0.96 -0.12 -4.57 -1.34 8.00 0.10 -4.90 116.55 112.76 1nqt n ASP 119 Ca 0.57 -1.04 -0.38 0.00 0.71 0.00 0.00 54.79 54.66 1nqt n ASP 119 Cb 1.29 -1.30 -0.11 0.00 -0.02 0.00 0.00 41.12 40.98 1nqt n ASP 119 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1nqt s VAL 120 N -3.62 5.22 -0.75 2.53 1.01 -1.15 -5.00 120.40 118.63 1nqt s VAL 120 Ca 0.27 0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.27 1nqt s VAL 120 Cb -0.16 -3.51 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1nqt s VAL 120 CO 0.83 0.22 2.60 -0.81 0.00 0.00 0.00 175.10 177.93 1nqt n PRO 121 N 5.05 2.27 -4.35 2.72 -0.04 -1.26 -4.12 135.00 135.27 1nqt n PRO 121 Ca -0.14 -1.37 -0.18 0.00 -0.04 0.00 0.00 63.50 61.76 1nqt n PRO 121 Cb 0.52 -2.32 -0.10 0.00 -0.04 0.00 0.00 33.50 31.56 1nqt n PRO 121 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1nqt s PHE 122 N 2.37 1.67 0.14 0.54 2.99 -1.26 -4.55 117.98 119.89 1nqt s PHE 122 Ca 0.51 -0.77 0.04 0.00 0.00 0.00 0.00 56.93 56.71 1nqt s PHE 122 Cb 0.17 -0.92 -0.04 0.00 0.00 0.00 0.00 43.02 42.24 1nqt s PHE 122 CO -0.03 0.15 0.15 0.20 -0.00 0.00 0.00 175.22 175.69 1nqt s GLY 123 N -3.33 1.78 -0.27 4.36 0.00 -1.19 -4.73 107.32 103.94 1nqt s GLY 123 Ca 0.26 -1.14 -0.29 0.00 0.00 0.00 0.00 44.72 43.55 1nqt s GLY 123 CO 0.08 -1.15 1.13 -0.32 0.00 0.00 0.00 173.10 172.84 1nqt s GLY 124 N -2.98 1.58 0.03 0.20 0.00 -1.26 0.14 107.32 105.03 1nqt s GLY 124 Ca 0.31 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 45.12 1nqt s GLY 124 CO 0.24 2.33 0.03 0.00 0.00 0.00 0.00 173.10 175.70 1nqt s ALA 125 N 3.61 0.06 0.05 3.20 0.00 0.86 0.25 121.76 129.79 1nqt s ALA 125 Ca 0.48 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.77 1nqt s ALA 125 Cb -0.15 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1nqt s ALA 125 CO 0.14 -0.23 0.16 0.21 0.00 0.00 0.00 175.76 176.03 1nqt s LYS 126 N -2.05 0.71 0.05 0.00 2.20 -0.02 -3.28 119.74 117.35 1nqt s LYS 126 Ca -0.10 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 54.75 1nqt s LYS 126 Cb -0.05 0.29 -0.02 0.00 -1.51 0.00 0.00 37.83 36.53 1nqt s LYS 126 CO -0.03 -0.20 -0.11 0.00 -0.36 0.00 0.00 175.35 174.66 1nqt s ALA 127 N -3.05 0.84 -0.11 3.13 0.00 0.13 0.01 121.76 122.71 1nqt s ALA 127 Ca -0.01 -0.82 -0.07 0.00 0.00 0.00 0.00 51.96 51.06 1nqt s ALA 127 Cb 0.01 -0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.13 1nqt s ALA 127 CO -0.07 0.08 0.26 0.20 0.00 0.00 0.00 175.76 176.24 1nqt s GLY 128 N -1.48 -0.17 -0.22 0.00 0.00 0.13 -0.31 107.32 105.27 1nqt s GLY 128 Ca -0.05 0.94 -0.04 0.00 0.00 0.00 0.00 44.72 45.57 1nqt s GLY 128 CO 0.01 1.06 -0.04 0.14 0.00 0.00 0.00 173.10 174.27 1nqt s VAL 129 N 0.88 3.39 -0.71 1.40 1.01 0.71 -0.43 120.40 126.65 1nqt s VAL 129 Ca -0.06 -0.49 -0.26 0.00 0.00 0.00 0.00 61.98 61.17 1nqt s VAL 129 Cb -0.07 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1nqt s VAL 129 CO -0.06 0.43 1.92 -0.75 0.00 0.00 0.00 175.10 176.64 1nqt s LYS 130 N 1.42 2.56 -0.30 2.72 2.47 -0.44 -2.14 119.74 126.03 1nqt s LYS 130 Ca 0.05 0.33 -0.17 0.00 -1.56 0.00 0.00 55.97 54.63 1nqt s LYS 130 Cb -0.14 -4.63 0.18 0.00 -1.46 0.00 0.00 37.83 31.78 1nqt s LYS 130 CO -0.03 -3.01 1.13 -1.50 0.16 0.00 0.00 175.35 172.10 1nqt s ILE 131 N 9.67 -0.19 -0.38 5.43 1.10 -1.23 -4.55 121.20 131.05 1nqt s ILE 131 Ca 0.70 0.00 -0.22 0.00 -0.51 0.00 0.00 60.65 60.62 1nqt s ILE 131 Cb -0.11 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.51 1nqt s ILE 131 CO 0.13 0.00 0.73 0.21 -2.11 0.00 0.00 174.94 173.91 1nqt s ASN 132 N 1.88 6.47 0.00 4.50 3.84 -1.26 -2.38 114.94 127.99 1nqt s ASN 132 Ca -0.04 0.15 0.00 0.00 0.21 0.00 0.00 52.86 53.19 1nqt s ASN 132 Cb -0.03 -2.37 0.00 0.00 -0.55 0.00 0.00 41.25 38.30 1nqt s ASN 132 CO -0.15 -0.74 0.78 -2.65 -2.79 0.00 0.00 177.10 171.55 1nqt n PRO 133 N 6.37 0.00 -0.81 0.43 -0.02 -1.26 -1.18 135.00 138.52 1nqt n PRO 133 Ca 0.01 0.29 0.05 0.00 -2.02 0.00 0.00 63.50 61.83 1nqt n PRO 133 Cb 0.48 -1.51 0.35 0.00 -0.02 0.00 0.00 33.50 32.80 1nqt n PRO 133 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1nqt n LYS 134 N -1.28 4.18 0.00 -0.52 4.81 -1.26 -3.86 118.16 120.23 1nqt n LYS 134 Ca 0.00 -3.09 0.00 0.00 -0.87 0.00 0.00 58.31 54.35 1nqt n LYS 134 Cb 0.01 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 32.91 1nqt n LYS 134 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1nqt n ASN 135 N 0.18 0.55 -4.39 3.14 3.02 -0.33 -5.07 115.26 112.37 1nqt n ASN 135 Ca 0.29 -1.14 -0.20 0.00 -0.03 0.00 0.00 54.58 53.50 1nqt n ASN 135 Cb 1.16 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 40.23 1nqt n ASN 135 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1nqt s TYR 136 N -0.14 1.86 0.09 3.10 2.02 -1.25 -5.08 117.35 117.95 1nqt s TYR 136 Ca 0.00 -0.57 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 1nqt s TYR 136 Cb 0.00 -0.91 -0.05 0.00 -0.40 0.00 0.00 41.96 40.60 1nqt s TYR 136 CO 0.00 0.39 0.29 -0.08 -1.57 0.00 0.00 175.55 174.58 1nqt s THR 137 N -2.92 5.29 0.08 -0.71 -1.32 -1.26 -4.83 115.64 109.96 1nqt s THR 137 Ca 0.25 -0.17 -0.15 0.00 -1.21 0.00 0.00 61.69 60.41 1nqt s THR 137 Cb -0.00 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.33 1nqt s THR 137 CO 0.09 0.11 0.84 0.47 -2.21 0.00 0.00 174.62 173.92 1nqt n ASP 138 N 0.24 -0.52 -0.23 8.08 9.92 -1.26 0.19 116.55 132.98 1nqt n ASP 138 Ca -0.04 0.96 -0.10 0.00 -0.53 0.00 0.00 54.79 55.08 1nqt n ASP 138 Cb 0.51 -0.16 -0.08 0.00 -0.64 0.00 0.00 41.12 40.75 1nqt n ASP 138 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1nqt h ASN 139 N 0.00 -1.69 -0.36 -2.24 -0.73 -2.00 -1.52 115.58 107.04 1nqt h ASN 139 Ca 0.08 0.24 0.07 0.00 1.87 0.00 0.00 56.30 58.56 1nqt h ASN 139 Cb 0.20 0.72 -0.07 0.00 0.27 0.00 0.00 38.32 39.44 1nqt h ASN 139 CO -0.46 -0.27 -0.10 -0.33 -0.37 0.00 0.00 177.43 175.90 1nqt h GLU 140 N -0.17 -0.02 -0.30 6.67 5.08 0.18 -1.20 114.58 124.82 1nqt h GLU 140 Ca 0.10 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.51 1nqt h GLU 140 Cb 0.42 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.60 1nqt h GLU 140 CO -0.64 -0.01 -0.50 -0.07 -1.00 0.00 0.00 179.01 176.79 1nqt h LEU 141 N -0.02 -1.64 -0.26 1.33 3.38 0.38 -0.41 115.31 118.07 1nqt h LEU 141 Ca 0.18 0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.42 1nqt h LEU 141 Cb 0.28 0.67 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1nqt h LEU 141 CO -0.38 -0.42 -0.36 -0.08 0.09 0.00 0.00 178.44 177.29 1nqt h GLU 142 N -0.44 -0.34 -1.02 1.13 4.81 -0.56 0.13 114.58 118.28 1nqt h GLU 142 Ca 0.08 0.02 0.37 0.00 -0.13 0.00 0.00 59.36 59.71 1nqt h GLU 142 Cb 0.62 0.08 -0.16 0.00 0.63 0.00 0.00 28.75 29.92 1nqt h GLU 142 CO -0.52 -0.23 0.57 0.87 -0.73 0.00 0.00 179.01 178.97 1nqt h LYS 143 N -0.36 0.17 0.33 1.92 1.57 0.01 -1.16 116.57 119.06 1nqt h LYS 143 Ca 0.12 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1nqt h LYS 143 Cb 0.56 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1nqt h LYS 143 CO -0.46 0.11 -0.16 0.82 -0.57 0.00 0.00 179.45 179.20 1nqt h ILE 144 N 0.17 0.08 -0.92 1.86 2.04 0.73 -3.06 117.51 118.41 1nqt h ILE 144 Ca 0.79 -0.71 0.25 0.00 1.00 0.00 0.00 64.86 66.19 1nqt h ILE 144 Cb 1.98 0.14 -0.14 0.00 -0.74 0.00 0.00 36.82 38.07 1nqt h ILE 144 CO -0.67 0.02 0.38 0.71 0.00 0.00 0.00 178.15 178.60 1nqt h THR 145 N -1.10 0.38 -0.17 -0.27 1.35 -0.03 0.12 112.91 113.20 1nqt h THR 145 Ca -0.05 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1nqt h THR 145 Cb 0.37 0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.82 1nqt h THR 145 CO 0.07 0.06 0.07 0.03 -0.25 0.00 0.00 175.52 175.50 1nqt h ARG 146 N 0.32 0.25 0.00 4.72 3.08 -1.39 0.34 114.38 121.70 1nqt h ARG 146 Ca 0.60 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.58 1nqt h ARG 146 Cb 1.21 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1nqt h ARG 146 CO -0.59 0.32 -0.12 -0.09 -1.07 0.00 0.00 179.97 178.42 1nqt h ARG 147 N 0.12 0.00 0.04 0.04 9.65 -1.11 -1.59 114.38 121.54 1nqt h ARG 147 Ca 0.06 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.93 1nqt h ARG 147 Cb 0.17 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1nqt h ARG 147 CO -0.00 0.12 -0.02 0.35 2.80 0.00 0.00 179.97 183.22 1nqt h PHE 148 N 0.00 -0.06 -0.98 2.20 3.57 -0.27 -3.01 116.94 118.39 1nqt h PHE 148 Ca -0.00 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 61.76 1nqt h PHE 148 Cb 0.65 0.02 -0.13 0.00 2.79 0.00 0.00 35.95 39.27 1nqt h PHE 148 CO 0.00 0.55 0.55 1.15 -2.23 0.00 0.00 178.31 178.33 1nqt h THR 149 N -0.74 0.47 -0.12 4.41 2.02 0.11 0.89 112.91 119.95 1nqt h THR 149 Ca -0.01 -0.17 -0.04 0.00 0.77 0.00 0.00 66.41 66.97 1nqt h THR 149 Cb 0.63 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1nqt h THR 149 CO 0.01 0.09 -0.08 0.24 0.37 0.00 0.00 175.52 176.15 1nqt h MET 150 N 0.49 0.26 -0.08 6.66 2.86 -1.34 0.36 114.93 124.13 1nqt h MET 150 Ca 0.65 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 58.03 1nqt h MET 150 Cb 1.29 -0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.94 1nqt h MET 150 CO -0.52 0.62 -0.57 0.93 1.06 0.00 0.00 176.91 178.44 1nqt h GLU 151 N -0.11 0.24 0.00 1.72 4.39 -1.26 -0.08 114.58 119.48 1nqt h GLU 151 Ca 0.02 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 1nqt h GLU 151 Cb 0.56 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1nqt h GLU 151 CO 0.02 0.74 -0.12 1.25 -1.16 0.00 0.00 179.01 179.74 1nqt h LEU 152 N 0.18 0.00 0.02 1.33 5.85 -0.73 -2.84 115.31 119.12 1nqt h LEU 152 Ca -0.00 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.45 1nqt h LEU 152 Cb 1.05 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.05 1nqt h LEU 152 CO 0.09 0.12 -1.46 0.00 -0.34 0.00 0.00 178.44 176.85 1nqt n ALA 153 N -2.24 0.83 0.05 1.25 0.00 0.11 0.13 120.51 120.63 1nqt n ALA 153 Ca -0.01 -0.55 0.22 0.00 0.00 0.00 0.00 53.44 53.10 1nqt n ALA 153 Cb 0.27 -0.53 0.72 0.00 0.00 0.00 0.00 19.45 19.92 1nqt n ALA 153 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nqt h LYS 154 N -0.86 0.00 -0.15 0.00 1.57 -0.90 -1.06 116.57 115.17 1nqt h LYS 154 Ca -0.39 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.36 1nqt h LYS 154 Cb 1.43 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 1nqt h LYS 154 CO -0.19 0.00 -0.08 1.63 -0.57 0.00 0.00 179.45 180.24 1nqt n LYS 155 N -3.75 1.95 -2.36 3.15 4.76 -1.08 -5.00 118.16 115.84 1nqt n LYS 155 Ca 0.09 -2.88 -0.07 0.00 -2.87 0.00 0.00 58.31 52.58 1nqt n LYS 155 Cb 0.71 -1.69 0.01 0.00 -1.84 0.00 0.00 35.03 32.21 1nqt n LYS 155 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqt n GLY 156 N -1.04 0.22 0.13 0.72 0.00 -0.40 -4.97 105.19 99.84 1nqt n GLY 156 Ca 0.22 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1nqt n GLY 156 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1nqt n PHE 157 N -3.78 0.01 -3.65 1.61 3.72 0.34 -4.78 117.46 110.93 1nqt n PHE 157 Ca -0.05 -1.05 -0.03 0.00 -0.05 0.00 0.00 57.45 56.26 1nqt n PHE 157 Cb 0.55 -0.16 -0.05 0.00 -0.94 0.00 0.00 39.48 38.87 1nqt n PHE 157 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 1nqt s ILE 158 N -2.92 -0.67 -0.29 4.37 -1.16 -0.69 -4.78 121.20 115.06 1nqt s ILE 158 Ca 0.33 0.00 -0.28 0.00 -0.51 0.00 0.00 60.65 60.19 1nqt s ILE 158 Cb 0.29 -0.99 0.19 0.00 0.61 0.00 0.00 42.46 42.56 1nqt s ILE 158 CO 0.02 0.00 1.37 -0.83 -2.81 0.00 0.00 174.94 172.69 1nqt s GLY 159 N 2.49 0.13 0.50 1.50 0.00 -0.94 -4.62 107.32 106.39 1nqt s GLY 159 Ca -0.07 2.95 0.29 0.00 0.00 0.00 0.00 44.72 47.89 1nqt s GLY 159 CO -0.19 1.26 1.92 -0.56 0.00 0.00 0.00 173.10 175.53 1nqt h PRO 160 N 2.25 0.00 -0.17 2.90 0.13 -1.82 -2.27 132.00 133.02 1nqt h PRO 160 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1nqt h PRO 160 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1nqt h PRO 160 CO 0.21 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.51 1nqt n GLY 161 N 0.02 1.04 0.83 1.56 0.00 -1.26 -4.78 105.19 102.60 1nqt n GLY 161 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1nqt n GLY 161 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqt n ILE 162 N 0.61 0.00 -3.14 -0.61 -0.00 -1.09 -3.98 119.36 111.14 1nqt n ILE 162 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 62.75 62.88 1nqt n ILE 162 Cb 0.35 -1.26 -0.00 0.00 -0.00 0.00 0.00 39.64 38.73 1nqt n ILE 162 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1nqt s ASP 163 N -4.79 -1.21 -0.50 4.38 -1.08 -0.87 -1.17 116.67 111.42 1nqt s ASP 163 Ca 0.00 0.07 -0.20 0.00 -0.52 0.00 0.00 52.55 51.90 1nqt s ASP 163 Cb 0.00 1.74 0.05 0.00 -1.46 0.00 0.00 42.92 43.25 1nqt s ASP 163 CO 0.00 -0.21 0.68 -0.69 0.52 0.00 0.00 175.17 175.46 1nqt s VAL 164 N 2.77 4.79 0.92 1.11 1.01 0.15 -2.21 120.40 128.94 1nqt s VAL 164 Ca 0.16 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.72 1nqt s VAL 164 Cb -0.07 -4.32 0.23 0.00 0.00 0.00 0.00 36.38 32.22 1nqt s VAL 164 CO -0.23 -0.82 0.85 -2.65 0.00 0.00 0.00 175.10 172.25 1nqt n PRO 165 N 6.39 -2.45 -3.61 2.72 -0.02 -1.21 -2.98 135.00 133.84 1nqt n PRO 165 Ca -0.04 -1.36 -0.01 0.00 -2.02 0.00 0.00 63.50 60.06 1nqt n PRO 165 Cb 0.46 -1.22 -0.01 0.00 -0.02 0.00 0.00 33.50 32.70 1nqt n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqt s ALA 166 N -3.13 -2.18 0.99 3.55 0.00 -1.16 -2.01 121.76 117.82 1nqt s ALA 166 Ca 0.55 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.60 1nqt s ALA 166 Cb -0.05 0.07 0.18 0.00 0.00 0.00 0.00 23.12 23.33 1nqt s ALA 166 CO 0.41 -0.81 1.11 -2.14 0.00 0.00 0.00 175.76 174.33 1nqt s PRO 167 N -2.36 0.52 0.00 0.00 0.02 -1.26 -0.00 135.00 131.92 1nqt s PRO 167 Ca 0.12 0.41 0.00 0.00 0.02 0.00 0.00 61.00 61.55 1nqt s PRO 167 Cb 0.02 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.78 1nqt s PRO 167 CO -0.04 -2.64 0.00 -3.47 -0.33 0.00 0.00 177.00 170.51 1nqt n ASP 168 N -4.10 0.94 -0.05 2.53 -0.08 -1.24 -4.37 116.55 110.19 1nqt n ASP 168 Ca 0.06 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.20 1nqt n ASP 168 Cb 0.58 0.00 -0.12 0.00 2.34 0.00 0.00 41.12 43.92 1nqt n ASP 168 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1nqt h MET 169 N 0.00 -0.01 0.00 -0.67 2.86 -1.99 -3.34 114.93 111.79 1nqt h MET 169 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nqt h MET 169 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1nqt h MET 169 CO 0.00 0.82 0.00 -1.13 1.06 0.00 0.00 176.91 177.66 1nqt n SER 170 N -4.69 0.00 -4.89 1.22 3.41 -1.26 -4.74 113.62 102.66 1nqt n SER 170 Ca -0.09 0.94 -0.29 0.00 -0.26 0.00 0.00 58.87 59.16 1nqt n SER 170 Cb 0.40 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1nqt n SER 170 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1nqt s THR 171 N -2.75 2.31 0.24 6.66 -4.23 -1.25 -4.95 115.64 111.68 1nqt s THR 171 Ca 0.00 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.55 1nqt s THR 171 Cb 0.00 -3.08 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 1nqt s THR 171 CO 0.00 -0.13 0.33 -0.83 -0.54 0.00 0.00 174.62 173.45 1nqt s GLY 172 N -4.49 1.03 0.25 3.99 0.00 -1.26 -3.75 107.32 103.09 1nqt s GLY 172 Ca 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 44.72 44.04 1nqt s GLY 172 CO 0.50 -0.99 1.29 -1.84 0.00 0.00 0.00 173.10 172.05 1nqt n GLU 173 N -0.36 -0.07 -0.25 2.90 0.28 -1.26 -0.34 120.64 121.54 1nqt n GLU 173 Ca 0.00 1.24 -0.02 0.00 -0.16 0.00 0.00 57.16 58.22 1nqt n GLU 173 Cb 0.64 -1.95 0.04 0.00 1.43 0.00 0.00 31.44 31.59 1nqt n GLU 173 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1nqt h ARG 174 N 0.00 -0.09 -0.29 3.44 0.11 -1.97 0.70 114.38 116.27 1nqt h ARG 174 Ca 0.48 0.01 -0.08 0.00 0.10 0.00 0.00 59.98 60.49 1nqt h ARG 174 Cb 0.95 0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.05 1nqt h ARG 174 CO -0.79 -0.06 -0.13 0.93 0.10 0.00 0.00 179.97 180.03 1nqt h GLU 175 N -0.09 0.61 -0.26 0.08 5.08 -1.10 -2.54 114.58 116.36 1nqt h GLU 175 Ca 0.29 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1nqt h GLU 175 Cb 0.56 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 1nqt h GLU 175 CO -0.76 0.84 -0.11 0.52 -1.00 0.00 0.00 179.01 178.49 1nqt h MET 176 N 0.36 -0.07 -0.88 2.33 2.86 -0.72 0.19 114.93 119.00 1nqt h MET 176 Ca 0.07 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.87 1nqt h MET 176 Cb 0.65 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 32.23 1nqt h MET 176 CO 0.04 -0.05 0.46 1.03 1.06 0.00 0.00 176.91 179.46 1nqt h SER 177 N -0.07 0.57 -0.36 1.22 0.87 0.41 0.28 113.55 116.47 1nqt h SER 177 Ca 0.13 0.09 -0.08 0.00 -1.23 0.00 0.00 61.79 60.71 1nqt h SER 177 Cb 0.27 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1nqt h SER 177 CO -0.30 0.23 -0.08 -0.50 -0.53 0.00 0.00 176.83 175.64 1nqt h TRP 178 N 0.64 0.77 0.02 2.24 6.55 -0.59 0.57 115.95 126.15 1nqt h TRP 178 Ca 0.49 -0.16 0.01 0.00 0.95 0.00 0.00 58.89 60.17 1nqt h TRP 178 Cb 0.70 -0.19 -0.02 0.00 -0.86 0.00 0.00 29.16 28.80 1nqt h TRP 178 CO -0.08 0.83 -0.17 0.82 -1.05 0.00 0.00 178.44 178.79 1nqt h ILE 179 N 0.48 0.00 -0.96 1.49 1.08 0.83 -0.22 117.51 120.21 1nqt h ILE 179 Ca 0.09 0.00 0.27 0.00 -0.39 0.00 0.00 64.86 64.83 1nqt h ILE 179 Cb 0.58 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 34.15 1nqt h ILE 179 CO 0.03 0.00 0.05 0.00 -0.69 0.00 0.00 178.15 177.54 1nqt n ALA 180 N -2.62 0.52 -1.00 1.87 0.00 0.83 -1.46 120.51 118.64 1nqt n ALA 180 Ca -0.03 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.44 1nqt n ALA 180 Cb 0.13 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 18.82 1nqt n ALA 180 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nqt n ASP 181 N -5.41 0.00 0.00 0.00 -0.08 0.17 -2.65 116.55 108.58 1nqt n ASP 181 Ca 0.23 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.66 1nqt n ASP 181 Cb 0.77 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.23 1nqt n ASP 181 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1nqt n THR 182 N -0.28 0.00 0.00 5.18 -1.04 -0.16 0.10 114.28 118.08 1nqt n THR 182 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nqt n THR 182 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1nqt n THR 182 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1nqt n TYR 183 N -2.87 0.00 -0.54 -1.42 9.36 -0.54 -1.91 117.16 119.25 1nqt n TYR 183 Ca 0.00 0.00 0.44 0.00 3.32 0.00 0.00 57.90 61.66 1nqt n TYR 183 Cb 0.00 -0.42 0.74 0.00 -0.63 0.00 0.00 39.34 39.02 1nqt n TYR 183 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1nqt h ALA 184 N -1.43 3.26 -0.45 2.98 0.00 0.93 0.47 119.26 125.02 1nqt h ALA 184 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1nqt h ALA 184 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1nqt h ALA 184 CO 0.00 -1.83 0.00 0.43 0.00 0.00 0.00 179.25 177.85 1nqt n SER 185 N -4.32 3.26 0.00 0.00 7.64 -0.91 -2.64 113.62 116.65 1nqt n SER 185 Ca 0.39 -1.96 0.00 0.00 1.01 0.00 0.00 58.87 58.31 1nqt n SER 185 Cb 1.66 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 64.56 1nqt n SER 185 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nqt n THR 186 N 1.33 0.00 -0.34 0.44 -1.04 0.15 -4.80 114.28 110.03 1nqt n THR 186 Ca 0.20 0.00 0.21 0.00 -2.04 0.00 0.00 64.05 62.42 1nqt n THR 186 Cb 0.56 0.00 0.44 0.00 -1.82 0.00 0.00 70.33 69.50 1nqt n THR 186 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1nqt h ILE 187 N 0.00 0.39 -0.04 12.58 1.08 -1.79 0.69 117.51 130.42 1nqt h ILE 187 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1nqt h ILE 187 Cb 0.00 -0.06 0.00 0.00 -3.07 0.00 0.00 36.82 33.69 1nqt h ILE 187 CO 0.00 0.08 0.00 0.61 -0.69 0.00 0.00 178.15 178.15 1nqt n GLY 188 N -1.30 -0.49 0.53 5.37 0.00 -0.66 -4.46 105.19 104.18 1nqt n GLY 188 Ca 0.30 -0.29 0.29 0.00 0.00 0.00 0.00 46.02 46.31 1nqt n GLY 188 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1nqt h HIS 189 N 1.05 0.00 0.00 1.61 6.17 0.65 0.17 115.15 124.80 1nqt h HIS 189 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.97 1nqt h HIS 189 Cb 0.23 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.14 1nqt h HIS 189 CO 0.02 0.00 -2.06 0.66 0.71 0.00 0.00 177.93 177.26 1nqt n TYR 190 N -3.28 0.00 -1.77 5.26 0.53 -1.26 -4.91 117.16 111.73 1nqt n TYR 190 Ca 0.23 0.00 -0.41 0.00 -1.02 0.00 0.00 57.90 56.70 1nqt n TYR 190 Cb 1.52 -0.62 -0.03 0.00 -1.03 0.00 0.00 39.34 39.18 1nqt n TYR 190 CO 0.00 0.00 0.00 0.34 -1.02 0.00 0.00 176.86 176.18 1nqt s ASP 191 N -4.68 5.36 0.00 7.72 3.68 0.58 -4.83 116.67 124.49 1nqt s ASP 191 Ca -0.08 1.36 0.00 0.00 2.13 0.00 0.00 52.55 55.96 1nqt s ASP 191 Cb 0.11 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 39.06 1nqt s ASP 191 CO 0.84 -2.12 0.09 0.00 0.13 0.00 0.00 175.17 174.10 1nqt n ILE 192 N 7.64 0.00 -0.74 4.11 3.06 -1.26 0.48 119.36 132.66 1nqt n ILE 192 Ca 0.28 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.53 1nqt n ILE 192 Cb 0.48 -0.39 0.00 0.00 0.54 0.00 0.00 39.64 40.28 1nqt n ILE 192 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 1nqt n ASN 193 N -0.35 0.37 -0.19 9.51 3.02 -1.26 -4.89 115.26 121.47 1nqt n ASN 193 Ca 0.00 -1.10 0.19 0.00 -0.03 0.00 0.00 54.58 53.64 1nqt n ASN 193 Cb 0.00 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.52 1nqt n ASN 193 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nqt n ALA 194 N -0.05 0.61 1.37 5.41 0.00 0.18 0.11 120.51 128.13 1nqt n ALA 194 Ca 0.00 0.60 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1nqt n ALA 194 Cb 0.28 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.13 1nqt n ALA 194 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nqt n HIS 195 N -4.33 0.00 0.05 0.00 8.25 -1.26 -1.92 115.22 116.00 1nqt n HIS 195 Ca 0.22 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.75 1nqt n HIS 195 Cb 0.76 -0.03 0.14 0.00 1.12 0.00 0.00 29.99 31.97 1nqt n HIS 195 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1nqt n ALA 196 N -0.27 2.30 0.39 -1.41 0.00 0.29 -4.45 120.51 117.36 1nqt n ALA 196 Ca 0.00 -0.98 0.09 0.00 0.00 0.00 0.00 53.44 52.55 1nqt n ALA 196 Cb 0.08 -0.48 0.38 0.00 0.00 0.00 0.00 19.45 19.44 1nqt n ALA 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt s VAL 198 N -3.17 0.02 0.05 0.00 0.11 -1.26 -3.36 120.40 112.79 1nqt s VAL 198 Ca 0.05 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1nqt s VAL 198 Cb 0.08 -1.65 -0.00 0.00 -1.53 0.00 0.00 36.38 33.28 1nqt s VAL 198 CO 0.29 -0.10 0.01 0.35 -3.33 0.00 0.00 175.10 172.32 1nqt n THR 199 N -0.35 0.00 -0.92 5.04 -2.24 -0.85 -4.82 114.28 110.14 1nqt n THR 199 Ca -0.09 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1nqt n THR 199 Cb 0.62 0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1nqt n THR 199 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqt n GLY 200 N 2.62 0.46 3.82 3.38 0.00 -1.26 -4.52 105.19 109.69 1nqt n GLY 200 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1nqt n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s LYS 201 N -0.57 2.06 0.51 1.61 -2.85 -1.26 -4.16 119.74 115.07 1nqt s LYS 201 Ca 0.00 0.51 -0.22 0.00 -1.00 0.00 0.00 55.97 55.26 1nqt s LYS 201 Cb 0.00 -1.93 -0.06 0.00 -2.06 0.00 0.00 37.83 33.78 1nqt s LYS 201 CO 0.00 -1.61 1.23 -2.14 0.10 0.00 0.00 175.35 172.93 1nqt s PRO 202 N -5.25 3.46 0.25 1.78 0.02 -1.26 -3.85 135.00 130.14 1nqt s PRO 202 Ca 0.61 1.92 -0.03 0.00 0.02 0.00 0.00 61.00 63.51 1nqt s PRO 202 Cb -0.14 -2.29 0.49 0.00 0.02 0.00 0.00 34.50 32.59 1nqt s PRO 202 CO 0.53 -0.84 1.71 0.82 -0.33 0.00 0.00 177.00 178.89 1nqt h ILE 203 N 1.59 0.60 -0.52 2.83 1.08 -1.92 0.64 117.51 121.80 1nqt h ILE 203 Ca -0.50 -0.13 0.12 0.00 -0.39 0.00 0.00 64.86 63.95 1nqt h ILE 203 Cb 1.27 0.17 -0.03 0.00 -3.07 0.00 0.00 36.82 35.17 1nqt h ILE 203 CO 0.58 0.07 0.36 0.77 -0.69 0.00 0.00 178.15 179.25 1nqt h SER 204 N 0.39 0.17 -0.16 1.72 4.64 -1.94 -1.46 113.55 116.90 1nqt h SER 204 Ca 0.43 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1nqt h SER 204 Cb 0.70 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1nqt h SER 204 CO -0.45 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 175.61 1nqt n GLN 205 N -4.44 1.87 0.00 4.77 1.13 0.22 -4.90 117.38 116.03 1nqt n GLN 205 Ca 0.09 -1.30 0.00 0.00 -1.94 0.00 0.00 57.00 53.85 1nqt n GLN 205 Cb 0.46 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.38 1nqt n GLN 205 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1nqt n GLY 206 N 1.21 1.26 0.00 1.08 0.00 -0.55 -4.86 105.19 103.33 1nqt n GLY 206 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nqt n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqt n GLY 207 N -1.48 -3.17 3.01 -0.02 0.00 -0.75 -4.80 105.19 97.98 1nqt n GLY 207 Ca 0.00 -1.30 -0.19 0.00 0.00 0.00 0.00 46.02 44.53 1nqt n GLY 207 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nqt s ILE 208 N -0.76 0.73 -0.00 -0.61 1.10 -1.26 -4.83 121.20 115.56 1nqt s ILE 208 Ca 0.00 -0.37 -0.30 0.00 -0.51 0.00 0.00 60.65 59.46 1nqt s ILE 208 Cb 0.00 -0.62 -0.05 0.00 0.15 0.00 0.00 42.46 41.93 1nqt s ILE 208 CO 0.00 0.21 1.40 -1.00 -2.11 0.00 0.00 174.94 173.44 1nqt s HIS 209 N -0.09 2.85 0.00 3.50 3.76 -1.26 -3.46 115.29 120.59 1nqt s HIS 209 Ca 0.02 0.82 0.00 0.00 -0.15 0.00 0.00 55.06 55.74 1nqt s HIS 209 Cb -0.05 -3.66 0.00 0.00 1.11 0.00 0.00 32.58 29.98 1nqt s HIS 209 CO -0.00 -2.45 0.00 0.41 -0.85 0.00 0.00 174.74 171.85 1nqt n GLY 210 N 3.65 1.22 0.20 -2.22 0.00 -1.26 -4.15 105.19 102.63 1nqt n GLY 210 Ca 0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1nqt n GLY 210 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 211 N 1.43 -0.40 -0.55 1.61 2.43 -1.94 -2.37 114.38 114.59 1nqt h ARG 211 Ca 0.00 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1nqt h ARG 211 Cb 0.00 0.09 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 1nqt h ARG 211 CO 0.00 -0.07 -0.32 -0.89 -1.51 0.00 0.00 179.97 177.17 1nqt n ILE 212 N -5.12 -0.37 0.28 1.20 -0.00 -1.26 -0.66 119.36 113.43 1nqt n ILE 212 Ca -0.09 1.99 0.18 0.00 -0.00 0.00 0.00 62.75 64.82 1nqt n ILE 212 Cb 0.27 -2.52 0.75 0.00 -0.00 0.00 0.00 39.64 38.14 1nqt n ILE 212 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 1nqt h SER 213 N 0.00 0.00 0.00 4.38 4.64 -2.00 -3.38 113.55 117.19 1nqt h SER 213 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1nqt h SER 213 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1nqt h SER 213 CO -0.52 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.46 1nqt n ALA 214 N -2.11 0.00 -0.39 5.18 0.00 0.17 -0.58 120.51 122.78 1nqt n ALA 214 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 1nqt n ALA 214 Cb 0.28 0.23 -0.01 0.00 0.00 0.00 0.00 19.45 19.94 1nqt n ALA 214 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1nqt n THR 215 N -1.11 -0.57 0.00 0.00 -1.04 -1.26 0.56 114.28 110.85 1nqt n THR 215 Ca 0.00 2.32 0.00 0.00 -2.04 0.00 0.00 64.05 64.33 1nqt n THR 215 Cb 0.00 -2.99 0.00 0.00 -1.82 0.00 0.00 70.33 65.52 1nqt n THR 215 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nqt n GLY 216 N -1.38 -2.88 0.44 3.41 0.00 -0.81 -0.81 105.19 103.17 1nqt n GLY 216 Ca 0.07 0.36 0.29 0.00 0.00 0.00 0.00 46.02 46.73 1nqt n GLY 216 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqt h ARG 217 N 0.00 0.25 -0.50 1.61 3.08 -0.03 0.61 114.38 119.40 1nqt h ARG 217 Ca 0.00 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1nqt h ARG 217 Cb 0.00 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1nqt h ARG 217 CO 0.00 0.16 0.23 0.78 -1.07 0.00 0.00 179.97 180.08 1nqt h GLY 218 N 0.26 0.69 0.99 0.04 0.00 0.22 -1.32 103.07 103.95 1nqt h GLY 218 Ca 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.83 1nqt h GLY 218 CO -0.30 0.08 -0.09 -2.08 0.00 0.00 0.00 176.54 174.15 1nqt h VAL 219 N 0.45 0.82 -0.82 4.60 2.07 0.16 -1.88 116.25 121.66 1nqt h VAL 219 Ca 0.23 -0.03 0.12 0.00 0.82 0.00 0.00 66.70 67.84 1nqt h VAL 219 Cb 0.17 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 30.69 1nqt h VAL 219 CO -0.18 0.01 0.44 0.15 0.02 0.00 0.00 177.57 178.00 1nqt h PHE 220 N -0.27 0.78 -0.24 1.57 3.04 -0.71 -1.29 116.94 119.82 1nqt h PHE 220 Ca -0.03 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1nqt h PHE 220 Cb 0.21 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1nqt h PHE 220 CO -0.06 0.25 -0.29 0.45 -2.02 0.00 0.00 178.31 176.64 1nqt h HIS 221 N 0.68 0.76 -0.78 0.41 3.86 -1.17 -1.81 115.15 117.11 1nqt h HIS 221 Ca 0.42 -0.24 0.18 0.00 -1.16 0.00 0.00 60.37 59.57 1nqt h HIS 221 Cb 0.50 -0.16 -0.12 0.00 1.06 0.00 0.00 27.41 28.69 1nqt h HIS 221 CO -0.08 0.97 0.17 0.78 0.86 0.00 0.00 177.93 180.63 1nqt h GLY 222 N 0.33 1.08 0.53 2.45 0.00 -0.41 0.18 103.07 107.24 1nqt h GLY 222 Ca 0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 1nqt h GLY 222 CO 0.07 -0.25 -0.19 -2.22 0.00 0.00 0.00 176.54 173.95 1nqt h ILE 223 N 0.24 0.37 -0.50 2.60 2.04 -1.30 -3.31 117.51 117.65 1nqt h ILE 223 Ca 0.45 -0.65 0.04 0.00 1.00 0.00 0.00 64.86 65.70 1nqt h ILE 223 Cb 0.81 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.40 1nqt h ILE 223 CO -0.56 0.08 -0.29 1.21 0.00 0.00 0.00 178.15 178.58 1nqt n GLU 224 N -5.15 -0.22 -0.33 2.37 2.13 -0.34 -0.48 120.64 118.63 1nqt n GLU 224 Ca -0.09 1.20 0.21 0.00 0.66 0.00 0.00 57.16 59.15 1nqt n GLU 224 Cb 0.27 -1.78 0.41 0.00 0.27 0.00 0.00 31.44 30.61 1nqt n GLU 224 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 1nqt h ASN 225 N 0.00 -0.04 0.60 4.31 2.35 -0.83 0.13 115.58 122.09 1nqt h ASN 225 Ca 0.08 0.25 -0.28 0.00 -0.55 0.00 0.00 56.30 55.80 1nqt h ASN 225 Cb 0.20 0.35 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1nqt h ASN 225 CO -0.47 -0.33 -1.37 -0.26 -1.65 0.00 0.00 177.43 173.35 1nqt h PHE 226 N 0.07 0.36 0.00 1.19 -1.00 -1.27 -3.23 116.94 113.06 1nqt h PHE 226 Ca 0.69 -0.26 0.00 0.00 2.81 0.00 0.00 57.97 61.20 1nqt h PHE 226 Cb 1.59 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 41.14 1nqt h PHE 226 CO -0.25 1.26 0.00 1.51 -1.61 0.00 0.00 178.31 179.22 1nqt n ILE 227 N -3.43 0.78 0.61 -0.55 0.13 0.36 -1.76 119.36 115.51 1nqt n ILE 227 Ca -0.11 0.20 0.07 0.00 -1.10 0.00 0.00 62.75 61.80 1nqt n ILE 227 Cb 1.02 -0.98 0.03 0.00 -0.84 0.00 0.00 39.64 38.86 1nqt n ILE 227 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 1nqt n ASN 228 N -1.34 1.81 -4.65 9.51 5.03 -0.40 -4.74 115.26 120.48 1nqt n ASN 228 Ca 0.05 -1.41 -0.40 0.00 0.87 0.00 0.00 54.58 53.70 1nqt n ASN 228 Cb 0.11 0.26 -0.07 0.00 -1.02 0.00 0.00 39.78 39.06 1nqt n ASN 228 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 1nqt s GLU 229 N -1.48 4.17 0.18 3.52 2.56 -0.72 -4.96 118.70 121.97 1nqt s GLU 229 Ca 0.14 0.46 -0.11 0.00 0.00 0.00 0.00 54.97 55.46 1nqt s GLU 229 Cb 0.12 -3.59 0.08 0.00 2.00 0.00 0.00 34.13 32.74 1nqt s GLU 229 CO 0.27 -0.23 1.69 0.00 -0.56 0.00 0.00 175.26 176.44 1nqt h ALA 230 N 7.60 0.82 -2.58 6.30 0.00 -1.91 -1.84 119.26 127.65 1nqt h ALA 230 Ca -0.32 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1nqt h ALA 230 Cb 1.15 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1nqt h ALA 230 CO 0.75 0.52 0.00 0.43 0.00 0.00 0.00 179.25 180.95 1nqt n SER 231 N -4.34 0.00 -0.22 0.00 7.64 -1.26 -1.01 113.62 114.43 1nqt n SER 231 Ca 0.04 0.57 -0.08 0.00 1.01 0.00 0.00 58.87 60.40 1nqt n SER 231 Cb 0.24 -0.07 -0.04 0.00 -1.01 0.00 0.00 64.21 63.33 1nqt n SER 231 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1nqt h TYR 232 N 0.00 -1.31 0.00 1.43 -1.99 -1.90 0.96 116.97 114.15 1nqt h TYR 232 Ca 0.00 0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.81 1nqt h TYR 232 Cb 0.00 0.66 0.00 0.00 2.00 0.00 0.00 36.73 39.39 1nqt h TYR 232 CO -0.10 -0.42 0.06 -1.33 -0.00 0.00 0.00 178.16 176.37 1nqt n MET 233 N -5.40 0.00 -0.07 4.88 2.81 -0.69 -1.87 117.12 116.77 1nqt n MET 233 Ca 0.02 0.36 -0.05 0.00 -1.81 0.00 0.00 57.70 56.22 1nqt n MET 233 Cb 0.35 -1.56 -0.02 0.00 -0.71 0.00 0.00 33.22 31.28 1nqt n MET 233 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1nqt n SER 234 N -1.35 1.78 -0.19 7.83 2.88 0.31 0.12 113.62 125.01 1nqt n SER 234 Ca 0.00 0.63 0.03 0.00 -1.33 0.00 0.00 58.87 58.20 1nqt n SER 234 Cb 0.06 -0.86 0.07 0.00 -0.75 0.00 0.00 64.21 62.73 1nqt n SER 234 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1nqt n ILE 235 N -4.58 -0.23 0.30 2.46 2.08 -0.78 0.51 119.36 119.12 1nqt n ILE 235 Ca -0.07 1.22 0.12 0.00 0.56 0.00 0.00 62.75 64.58 1nqt n ILE 235 Cb 0.27 -1.69 0.19 0.00 -0.75 0.00 0.00 39.64 37.65 1nqt n ILE 235 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1nqt h LEU 236 N 0.00 0.00 -2.79 1.39 3.38 -1.56 -3.48 115.31 112.24 1nqt h LEU 236 Ca 0.25 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1nqt h LEU 236 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nqt h LEU 236 CO -0.55 0.01 -0.05 0.61 0.09 0.00 0.00 178.44 178.54 1nqt n GLY 237 N 1.17 -0.70 0.00 0.83 0.00 1.94 -5.08 105.19 103.35 1nqt n GLY 237 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1nqt n GLY 237 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nqt n MET 238 N -0.97 0.00 -3.26 1.61 2.00 0.34 -4.94 117.12 111.90 1nqt n MET 238 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.55 1nqt n MET 238 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.60 1nqt n MET 238 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1nqt n THR 239 N 0.00 -2.03 -1.62 2.03 5.66 -1.26 -4.88 114.28 112.16 1nqt n THR 239 Ca 0.00 -0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 1nqt n THR 239 Cb 0.00 -1.82 0.09 0.00 -1.55 0.00 0.00 70.33 67.05 1nqt n THR 239 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 175.07 169.18 1nqt s PRO 240 N -3.68 2.02 -0.13 1.09 0.02 -1.26 -5.06 135.00 128.00 1nqt s PRO 240 Ca 0.02 0.51 0.05 0.00 0.02 0.00 0.00 61.00 61.60 1nqt s PRO 240 Cb -0.00 -1.92 -0.11 0.00 0.02 0.00 0.00 34.50 32.48 1nqt s PRO 240 CO 0.56 -1.64 -0.04 0.41 -0.33 0.00 0.00 177.00 175.96 1nqt n GLY 241 N -2.34 -0.37 2.84 0.52 0.00 -1.26 -4.37 105.19 100.21 1nqt n GLY 241 Ca 0.07 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 1nqt n GLY 241 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqt s PHE 242 N -2.28 2.61 0.00 1.61 5.36 -1.26 -4.53 117.98 119.49 1nqt s PHE 242 Ca -0.12 -2.76 0.00 0.00 -0.96 0.00 0.00 56.93 53.09 1nqt s PHE 242 Cb 0.04 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.36 1nqt s PHE 242 CO 0.39 -0.78 0.00 0.41 -1.46 0.00 0.00 175.22 173.78 1nqt n GLY 243 N 3.48 1.31 5.45 13.12 0.00 -1.26 -5.04 105.19 122.25 1nqt n GLY 243 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nqt n GLY 243 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nqt n ASP 244 N 0.00 0.00 -3.64 1.61 4.64 -1.26 -4.40 116.55 113.50 1nqt n ASP 244 Ca 0.00 0.00 -0.06 0.00 -1.38 0.00 0.00 54.79 53.35 1nqt n ASP 244 Cb 0.00 0.00 -0.07 0.00 -1.04 0.00 0.00 41.12 40.01 1nqt n ASP 244 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 1nqt s LYS 245 N 0.00 0.59 0.01 -0.67 1.02 -1.26 -4.14 119.74 115.28 1nqt s LYS 245 Ca 0.00 0.99 0.04 0.00 0.02 0.00 0.00 55.97 57.02 1nqt s LYS 245 Cb 0.00 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.43 1nqt s LYS 245 CO 0.00 -0.12 -0.13 0.95 -0.92 0.00 0.00 175.35 175.13 1nqt s THR 246 N 1.42 1.06 0.18 2.17 -4.23 -1.26 -1.01 115.64 113.98 1nqt s THR 246 Ca -0.09 -0.76 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 1nqt s THR 246 Cb -0.04 -0.93 -0.02 0.00 1.34 0.00 0.00 72.50 72.85 1nqt s THR 246 CO -0.17 0.16 0.24 0.72 -0.54 0.00 0.00 174.62 175.03 1nqt s PHE 247 N -0.56 0.67 -0.02 3.99 -0.71 0.15 -0.62 117.98 120.88 1nqt s PHE 247 Ca 0.03 -1.00 -0.02 0.00 -1.04 0.00 0.00 56.93 54.90 1nqt s PHE 247 Cb -0.06 -0.22 0.01 0.00 -1.21 0.00 0.00 43.02 41.53 1nqt s PHE 247 CO 0.00 -0.71 0.06 0.08 -1.34 0.00 0.00 175.22 173.31 1nqt s VAL 248 N -4.04 -0.00 -0.11 -2.49 1.01 0.35 -0.87 120.40 114.24 1nqt s VAL 248 Ca 0.25 0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.26 1nqt s VAL 248 Cb 0.04 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.34 1nqt s VAL 248 CO 0.05 0.00 -0.19 0.54 0.00 0.00 0.00 175.10 175.50 1nqt s VAL 249 N 0.03 1.75 -0.31 2.92 0.11 -1.14 0.29 120.40 124.05 1nqt s VAL 249 Ca -0.00 -0.81 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 1nqt s VAL 249 Cb -0.00 -1.56 -0.02 0.00 -1.53 0.00 0.00 36.38 33.27 1nqt s VAL 249 CO 0.00 0.49 0.50 -1.58 -3.33 0.00 0.00 175.10 171.18 1nqt s GLN 250 N 0.76 3.83 0.00 1.54 0.74 0.30 -2.81 119.66 124.02 1nqt s GLN 250 Ca -0.10 0.04 0.00 0.00 0.05 0.00 0.00 55.36 55.35 1nqt s GLN 250 Cb -0.16 -3.73 0.00 0.00 1.10 0.00 0.00 33.01 30.22 1nqt s GLN 250 CO 0.01 -0.50 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 1nqt n GLY 251 N 4.64 0.28 3.28 2.59 0.00 -1.06 0.98 105.19 115.90 1nqt n GLY 251 Ca -0.05 -0.74 -0.44 0.00 0.00 0.00 0.00 46.02 44.79 1nqt n GLY 251 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqt n PHE 252 N 0.21 4.41 0.00 1.61 -0.00 -1.20 -3.87 117.46 118.62 1nqt n PHE 252 Ca 0.00 -3.29 0.00 0.00 -0.00 0.00 0.00 57.45 54.16 1nqt n PHE 252 Cb 0.00 -1.99 0.00 0.00 -0.00 0.00 0.00 39.48 37.49 1nqt n PHE 252 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 253 N 3.36 2.68 0.00 7.13 0.00 -1.26 -4.88 105.19 112.22 1nqt n GLY 253 Ca 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1nqt n GLY 253 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqt n ASN 254 N 0.00 0.00 -0.28 1.61 5.15 -1.26 -3.44 115.26 117.04 1nqt n ASN 254 Ca 0.00 0.48 0.01 0.00 -0.60 0.00 0.00 54.58 54.47 1nqt n ASN 254 Cb 0.00 -0.49 0.08 0.00 -0.53 0.00 0.00 39.78 38.84 1nqt n ASN 254 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 1nqt h VAL 255 N 0.00 0.16 -0.66 3.44 3.04 -1.91 -0.71 116.25 119.61 1nqt h VAL 255 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 1nqt h VAL 255 Cb 0.00 0.16 -0.03 0.00 -2.01 0.00 0.00 31.29 29.41 1nqt h VAL 255 CO 0.00 0.00 0.34 1.23 -1.01 0.00 0.00 177.57 178.13 1nqt h GLY 256 N -0.03 0.98 0.66 3.17 0.00 -1.75 -1.64 103.07 104.46 1nqt h GLY 256 Ca 0.36 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 1nqt h GLY 256 CO -0.83 0.42 -0.10 -2.00 0.00 0.00 0.00 176.54 174.04 1nqt h LEU 257 N 0.92 -0.24 -1.87 3.11 5.85 -1.17 -2.46 115.31 119.46 1nqt h LEU 257 Ca 0.23 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1nqt h LEU 257 Cb 0.05 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1nqt h LEU 257 CO -0.04 0.12 -0.13 0.45 -0.34 0.00 0.00 178.44 178.50 1nqt h HIS 258 N -0.63 0.00 -0.35 1.25 3.86 -1.39 -1.37 115.15 116.51 1nqt h HIS 258 Ca -0.03 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 1nqt h HIS 258 Cb 0.45 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 1nqt h HIS 258 CO 0.03 0.13 -0.11 0.77 0.86 0.00 0.00 177.93 179.61 1nqt h SER 259 N 0.00 0.71 0.91 2.45 0.02 -1.16 -2.00 113.55 114.48 1nqt h SER 259 Ca -0.00 -0.38 -0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1nqt h SER 259 Cb 0.33 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1nqt h SER 259 CO 0.02 0.93 -0.24 -0.03 -1.14 0.00 0.00 176.83 176.37 1nqt h MET 260 N 0.49 0.00 0.33 3.45 1.85 -0.93 0.68 114.93 120.80 1nqt h MET 260 Ca 0.09 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 1nqt h MET 260 Cb 0.63 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.67 1nqt h MET 260 CO 0.04 0.24 -0.16 0.00 -0.40 0.00 0.00 176.91 176.63 1nqt h ARG 261 N 0.00 -0.43 0.12 0.39 2.47 -1.00 -2.36 114.38 113.57 1nqt h ARG 261 Ca -0.00 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.74 1nqt h ARG 261 Cb 0.76 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1nqt h ARG 261 CO 0.03 -0.21 -0.06 1.88 0.56 0.00 0.00 179.97 182.18 1nqt h TYR 262 N -1.07 -0.15 -0.94 3.04 0.05 -1.41 0.88 116.97 117.36 1nqt h TYR 262 Ca -0.05 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 58.86 1nqt h TYR 262 Cb 0.43 0.05 -0.08 0.00 1.01 0.00 0.00 36.73 38.14 1nqt h TYR 262 CO 0.02 0.13 0.60 -0.07 -1.05 0.00 0.00 178.16 177.79 1nqt h LEU 263 N -0.44 0.79 0.14 3.88 4.07 -1.00 -1.82 115.31 120.93 1nqt h LEU 263 Ca -0.02 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 1nqt h LEU 263 Cb 0.35 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.98 1nqt h LEU 263 CO 0.03 0.41 -0.07 -0.74 -1.08 0.00 0.00 178.44 176.99 1nqt h HIS 264 N 0.84 -0.18 0.00 1.13 2.76 -1.24 -2.81 115.15 115.65 1nqt h HIS 264 Ca 0.47 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.64 1nqt h HIS 264 Cb 0.61 0.06 0.00 0.00 1.55 0.00 0.00 27.41 29.62 1nqt h HIS 264 CO -0.00 0.21 0.44 -0.09 -1.30 0.00 0.00 177.93 177.19 1nqt h ARG 265 N -0.61 0.00 -0.24 5.26 2.43 0.04 0.63 114.38 121.88 1nqt h ARG 265 Ca -0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1nqt h ARG 265 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1nqt h ARG 265 CO 0.03 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.68 1nqt n PHE 266 N -2.00 0.60 0.00 2.20 0.99 -1.03 -4.98 117.46 113.24 1nqt n PHE 266 Ca -0.01 -0.73 0.00 0.00 -0.00 0.00 0.00 57.45 56.71 1nqt n PHE 266 Cb 0.46 -0.18 0.00 0.00 -1.00 0.00 0.00 39.48 38.76 1nqt n PHE 266 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nqt n GLY 267 N -0.27 1.55 3.77 1.37 0.00 0.21 -5.07 105.19 106.75 1nqt n GLY 267 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1nqt n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 268 N -1.80 3.09 -0.15 4.61 0.00 -1.07 -4.66 121.76 121.77 1nqt s ALA 268 Ca 0.00 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.96 1nqt s ALA 268 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1nqt s ALA 268 CO 0.00 -0.74 0.10 0.21 0.00 0.00 0.00 175.76 175.33 1nqt s LYS 269 N -2.47 3.67 -0.32 0.00 2.20 -0.18 -4.11 119.74 118.53 1nqt s LYS 269 Ca 0.61 -0.23 -0.14 0.00 -0.36 0.00 0.00 55.97 55.85 1nqt s LYS 269 Cb -0.33 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 32.77 1nqt s LYS 269 CO 0.41 0.55 0.29 0.00 -0.36 0.00 0.00 175.35 176.25 1nqt n ILE 271 N 5.15 1.42 -3.93 0.00 3.06 -0.05 -2.04 119.36 122.97 1nqt n ILE 271 Ca -0.11 -0.81 -0.10 0.00 -2.50 0.00 0.00 62.75 59.23 1nqt n ILE 271 Cb 0.50 -0.69 -0.10 0.00 0.54 0.00 0.00 39.64 39.89 1nqt n ILE 271 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1nqt s ALA 272 N -2.60 -0.07 -0.26 1.51 0.00 -1.25 -1.86 121.76 117.23 1nqt s ALA 272 Ca -0.07 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1nqt s ALA 272 Cb 0.07 0.21 0.15 0.00 0.00 0.00 0.00 23.12 23.55 1nqt s ALA 272 CO 0.83 -0.27 0.42 0.08 0.00 0.00 0.00 175.76 176.82 1nqt s VAL 273 N -2.24 -0.68 0.52 0.00 1.01 -1.17 -2.89 120.40 114.95 1nqt s VAL 273 Ca -0.08 -0.09 0.06 0.00 0.00 0.00 0.00 61.98 61.88 1nqt s VAL 273 Cb -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1nqt s VAL 273 CO -0.03 -0.12 0.72 -0.83 0.00 0.00 0.00 175.10 174.84 1nqt s GLY 274 N 2.61 1.84 0.00 4.51 0.00 -1.12 -2.30 107.32 112.85 1nqt s GLY 274 Ca 0.14 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1nqt s GLY 274 CO -0.19 -1.43 0.00 1.18 0.00 0.00 0.00 173.10 172.66 1nqt n GLU 275 N -2.17 0.00 0.05 2.90 1.02 0.44 -2.56 120.64 120.32 1nqt n GLU 275 Ca 0.11 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 57.09 1nqt n GLU 275 Cb 0.60 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.96 1nqt n GLU 275 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1nqt h SER 276 N 0.00 0.71 0.00 1.62 4.64 -1.98 -3.37 113.55 115.16 1nqt h SER 276 Ca 0.00 -0.55 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1nqt h SER 276 Cb 0.00 -0.22 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1nqt h SER 276 CO 0.00 1.35 0.00 0.47 -0.87 0.00 0.00 176.83 177.78 1nqt n ASP 277 N -3.81 0.00 0.00 4.97 8.00 -1.26 -5.04 116.55 119.41 1nqt n ASP 277 Ca -0.08 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1nqt n ASP 277 Cb 0.84 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 1nqt n ASP 277 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqt n GLY 278 N -0.06 5.36 3.58 0.44 0.00 -1.26 -5.00 105.19 108.25 1nqt n GLY 278 Ca 0.00 -0.80 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1nqt n GLY 278 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqt s SER 279 N 1.01 0.74 0.05 1.61 0.01 -1.24 -0.42 113.70 115.47 1nqt s SER 279 Ca 0.00 -1.43 -0.02 0.00 1.31 0.00 0.00 55.95 55.81 1nqt s SER 279 Cb 0.00 0.73 -0.04 0.00 0.21 0.00 0.00 66.02 66.93 1nqt s SER 279 CO 0.00 -1.44 -0.01 -0.63 0.41 0.00 0.00 173.24 171.58 1nqt s ILE 280 N -2.73 0.21 0.11 1.44 1.01 -0.97 -3.40 121.20 116.87 1nqt s ILE 280 Ca 0.26 -1.74 -0.21 0.00 0.00 0.00 0.00 60.65 58.96 1nqt s ILE 280 Cb -0.02 -1.50 0.05 0.00 0.01 0.00 0.00 42.46 41.00 1nqt s ILE 280 CO 0.19 -0.96 0.51 0.86 0.00 0.00 0.00 174.94 175.53 1nqt s TRP 281 N -3.91 -0.40 0.00 3.97 -0.11 -1.14 -3.03 118.94 114.32 1nqt s TRP 281 Ca 0.07 0.25 0.00 0.00 1.22 0.00 0.00 56.10 57.64 1nqt s TRP 281 Cb 0.08 0.39 0.00 0.00 -1.50 0.00 0.00 33.47 32.43 1nqt s TRP 281 CO -0.10 -0.73 0.00 -1.71 -4.62 0.00 0.00 176.95 169.79 1nqt n ASN 282 N -0.04 0.00 0.00 5.86 2.85 -0.78 -2.06 115.26 121.10 1nqt n ASN 282 Ca -0.17 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.30 1nqt n ASN 282 Cb 0.63 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.65 1nqt n ASN 282 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 1nqt n PRO 283 N 0.00 0.00 0.00 1.20 -0.02 -1.26 -0.33 135.00 134.59 1nqt n PRO 283 Ca 0.00 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.66 1nqt n PRO 283 Cb 0.00 -1.82 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 1nqt n PRO 283 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nqt n ASP 284 N -0.98 0.81 0.00 2.55 8.00 -1.26 -5.02 116.55 120.66 1nqt n ASP 284 Ca 0.00 -0.72 0.00 0.00 0.71 0.00 0.00 54.79 54.78 1nqt n ASP 284 Cb 0.32 0.81 0.00 0.00 -0.02 0.00 0.00 41.12 42.23 1nqt n ASP 284 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqt n GLY 285 N 1.49 2.66 3.26 0.44 0.00 0.55 -5.04 105.19 108.54 1nqt n GLY 285 Ca 0.04 -2.05 -0.05 0.00 0.00 0.00 0.00 46.02 43.96 1nqt n GLY 285 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqt s ILE 286 N -1.97 -0.78 -0.21 -0.61 1.01 -0.87 -4.78 121.20 113.00 1nqt s ILE 286 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 1nqt s ILE 286 Cb 0.00 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.65 1nqt s ILE 286 CO 0.00 0.00 1.07 -0.62 0.00 0.00 0.00 174.94 175.39 1nqt s ASP 287 N 2.70 7.09 0.09 3.58 2.15 -1.26 -4.54 116.67 126.48 1nqt s ASP 287 Ca 0.04 1.43 -0.23 0.00 0.43 0.00 0.00 52.55 54.23 1nqt s ASP 287 Cb -0.13 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.87 1nqt s ASP 287 CO -0.16 -0.66 1.38 -0.65 -0.17 0.00 0.00 175.17 174.90 1nqt h PRO 288 N 7.51 -0.28 -0.76 4.34 0.11 -1.95 -1.08 132.00 139.89 1nqt h PRO 288 Ca -0.21 0.02 0.14 0.00 0.11 0.00 0.00 66.00 66.06 1nqt h PRO 288 Cb 1.07 0.06 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 1nqt h PRO 288 CO 0.97 -0.19 -0.24 -0.22 -0.21 0.00 0.00 178.00 178.10 1nqt h LYS 289 N -0.29 -0.04 0.00 1.05 1.63 -1.97 0.50 116.57 117.45 1nqt h LYS 289 Ca 0.05 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1nqt h LYS 289 Cb 0.42 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 1nqt h LYS 289 CO -0.40 -0.02 0.00 0.39 -3.45 0.00 0.00 179.45 175.97 1nqt n GLU 290 N -5.49 0.00 -0.35 1.90 1.02 -0.73 -1.38 120.64 115.61 1nqt n GLU 290 Ca 0.09 0.32 0.02 0.00 -0.02 0.00 0.00 57.16 57.58 1nqt n GLU 290 Cb 0.39 -1.23 0.08 0.00 -0.02 0.00 0.00 31.44 30.66 1nqt n GLU 290 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1nqt n LEU 291 N -1.32 -0.48 0.02 -4.62 7.94 -0.49 -0.44 117.00 117.61 1nqt n LEU 291 Ca 0.00 1.61 -0.11 0.00 -1.11 0.00 0.00 56.01 56.40 1nqt n LEU 291 Cb 0.00 -0.42 -0.04 0.00 0.53 0.00 0.00 43.42 43.49 1nqt n LEU 291 CO 0.00 -1.49 0.66 -0.08 -1.11 0.00 0.00 177.39 175.37 1nqt h GLU 292 N 0.00 -0.38 0.00 1.96 4.81 0.09 0.30 114.58 121.36 1nqt h GLU 292 Ca 0.38 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1nqt h GLU 292 Cb 0.61 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1nqt h GLU 292 CO -0.94 -0.26 0.00 -0.25 -0.73 0.00 0.00 179.01 176.84 1nqt n ASP 293 N -5.40 0.23 -0.00 1.04 8.00 0.41 -0.40 116.55 120.43 1nqt n ASP 293 Ca -0.04 0.59 -0.02 0.00 0.71 0.00 0.00 54.79 56.04 1nqt n ASP 293 Cb 0.32 -0.63 -0.11 0.00 -0.02 0.00 0.00 41.12 40.68 1nqt n ASP 293 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1nqt n PHE 294 N -1.79 0.72 0.14 1.24 7.35 0.82 -2.32 117.46 123.61 1nqt n PHE 294 Ca 0.01 0.24 0.02 0.00 -0.76 0.00 0.00 57.45 56.96 1nqt n PHE 294 Cb 0.07 -1.03 0.06 0.00 0.35 0.00 0.00 39.48 38.93 1nqt n PHE 294 CO 0.00 0.00 0.00 -0.22 -0.76 0.00 0.00 176.76 175.78 1nqt h LYS 295 N 0.00 0.00 0.04 -4.13 3.64 0.16 -3.29 116.57 113.00 1nqt h LYS 295 Ca -0.23 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1nqt h LYS 295 Cb 1.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 1nqt h LYS 295 CO 0.04 0.55 -0.02 1.25 -2.27 0.00 0.00 179.45 179.00 1nqt h LEU 296 N 0.00 -0.05 -2.20 5.20 7.12 -1.12 -3.35 115.31 120.91 1nqt h LEU 296 Ca -0.01 -0.41 0.00 0.00 0.13 0.00 0.00 57.88 57.60 1nqt h LEU 296 Cb 1.36 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.50 1nqt h LEU 296 CO 0.07 0.64 0.16 -0.61 -0.13 0.00 0.00 178.44 178.57 1nqt h GLN 297 N -0.98 0.00 -0.17 1.25 4.15 -1.58 -3.41 115.11 114.36 1nqt h GLN 297 Ca -0.01 0.00 0.27 0.00 0.77 0.00 0.00 58.65 59.69 1nqt h GLN 297 Cb 0.45 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 27.93 1nqt h GLN 297 CO 0.01 0.00 0.23 -3.38 -1.93 0.00 0.00 178.83 173.76 1nqt s HIS 298 N -3.98 -0.27 0.00 3.99 -3.43 -1.24 -5.10 115.29 105.26 1nqt s HIS 298 Ca -0.04 0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.52 1nqt s HIS 298 Cb 0.10 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 1nqt s HIS 298 CO 0.30 -0.15 0.00 0.41 -2.00 0.00 0.00 174.74 173.30 1nqt n GLY 299 N 5.47 3.15 0.00 -1.38 0.00 -1.26 -4.77 105.19 106.40 1nqt n GLY 299 Ca -0.08 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nqt n GLY 299 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nqt n SER 300 N 8.23 0.00 -0.31 1.61 7.64 -1.26 -4.72 113.62 124.81 1nqt n SER 300 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 1nqt n SER 300 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1nqt n SER 300 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 1nqt n ILE 301 N 0.00 0.00 -1.71 0.44 -5.35 -1.26 -4.16 119.36 107.32 1nqt n ILE 301 Ca 0.00 -0.23 -0.43 0.00 -0.27 0.00 0.00 62.75 61.82 1nqt n ILE 301 Cb 0.00 1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 39.04 1nqt n ILE 301 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1nqt n LEU 302 N -0.46 3.70 -0.33 7.28 4.32 -1.26 -2.87 117.00 127.38 1nqt n LEU 302 Ca 0.07 1.15 -0.03 0.00 -0.02 0.00 0.00 56.01 57.18 1nqt n LEU 302 Cb 0.38 -1.50 -0.00 0.00 -1.62 0.00 0.00 43.42 40.67 1nqt n LEU 302 CO 0.29 -0.22 -0.04 0.61 -1.22 0.00 0.00 177.39 176.81 1nqt n GLY 303 N 1.93 0.25 3.75 -0.72 0.00 -1.26 -5.02 105.19 104.12 1nqt n GLY 303 Ca 0.09 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 44.94 1nqt n GLY 303 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1nqt s PHE 304 N -2.14 3.92 0.00 1.61 5.36 -1.14 -5.05 117.98 120.54 1nqt s PHE 304 Ca 0.00 1.88 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 1nqt s PHE 304 Cb 0.00 -3.03 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 1nqt s PHE 304 CO 0.00 0.31 0.00 -2.30 -1.46 0.00 0.00 175.22 171.77 1nqt n PRO 305 N 1.65 -1.75 0.00 10.12 -0.02 -1.26 -3.77 135.00 139.96 1nqt n PRO 305 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1nqt n PRO 305 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.95 1nqt n PRO 305 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nqt n LYS 306 N -1.86 0.00 -3.80 -0.52 5.02 -1.26 -4.74 118.16 111.01 1nqt n LYS 306 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 1nqt n LYS 306 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1nqt n LYS 306 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1nqt s ALA 307 N 0.00 3.89 -0.28 7.82 0.00 -1.25 -5.00 121.76 126.95 1nqt s ALA 307 Ca 0.00 -0.91 -0.09 0.00 0.00 0.00 0.00 51.96 50.95 1nqt s ALA 307 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1nqt s ALA 307 CO 0.00 0.48 0.14 0.21 0.00 0.00 0.00 175.76 176.59 1nqt s LYS 308 N -3.28 3.71 0.13 0.00 2.47 -0.87 -4.68 119.74 117.21 1nqt s LYS 308 Ca 0.37 -0.46 -0.35 0.00 -1.56 0.00 0.00 55.97 53.97 1nqt s LYS 308 Cb -0.11 -3.52 -0.17 0.00 -1.46 0.00 0.00 37.83 32.58 1nqt s LYS 308 CO 0.29 -0.23 1.19 -2.30 0.16 0.00 0.00 175.35 174.45 1nqt n PRO 309 N 5.00 0.98 -4.53 4.03 -0.02 -1.26 -2.87 135.00 136.33 1nqt n PRO 309 Ca -0.15 0.35 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 1nqt n PRO 309 Cb 0.51 -1.88 -0.11 0.00 -0.02 0.00 0.00 33.50 32.00 1nqt n PRO 309 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1nqt s TYR 310 N 0.03 2.90 -0.08 6.00 5.04 -1.22 -4.90 117.35 125.12 1nqt s TYR 310 Ca 0.79 -0.02 -0.21 0.00 -2.44 0.00 0.00 57.07 55.18 1nqt s TYR 310 Cb -0.94 -1.65 -0.04 0.00 0.35 0.00 0.00 41.96 39.69 1nqt s TYR 310 CO 0.51 0.35 0.61 -1.21 -1.34 0.00 0.00 175.55 174.48 1nqt s GLU 311 N -1.19 4.40 0.50 4.97 8.01 -1.26 -3.65 118.70 130.48 1nqt s GLU 311 Ca 0.15 0.71 0.00 0.00 0.01 0.00 0.00 54.97 55.84 1nqt s GLU 311 Cb -0.11 -3.44 0.00 0.00 -4.31 0.00 0.00 34.13 26.27 1nqt s GLU 311 CO 0.05 0.11 0.00 0.41 0.01 0.00 0.00 175.26 175.84 1nqt n GLY 312 N 3.14 0.97 3.04 -1.39 0.00 -1.26 -4.91 105.19 104.79 1nqt n GLY 312 Ca -0.04 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 1nqt n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nqt s SER 313 N -4.00 2.07 0.24 1.61 1.04 -1.26 -4.50 113.70 108.90 1nqt s SER 313 Ca 0.00 -0.35 0.11 0.00 0.48 0.00 0.00 55.95 56.19 1nqt s SER 313 Cb 0.00 -0.94 0.63 0.00 0.10 0.00 0.00 66.02 65.80 1nqt s SER 313 CO 0.00 0.03 1.26 2.30 0.98 0.00 0.00 173.24 177.82 1nqt n ILE 314 N 3.93 0.94 0.15 -1.02 -0.00 -1.26 -3.41 119.36 118.68 1nqt n ILE 314 Ca -0.21 0.68 0.03 0.00 -0.00 0.00 0.00 62.75 63.24 1nqt n ILE 314 Cb 0.52 -1.68 0.14 0.00 -0.00 0.00 0.00 39.64 38.62 1nqt n ILE 314 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1nqt n LEU 315 N -1.91 0.13 -0.11 7.28 4.32 -1.26 0.15 117.00 125.60 1nqt n LEU 315 Ca -0.01 0.35 0.01 0.00 -0.02 0.00 0.00 56.01 56.35 1nqt n LEU 315 Cb 0.21 -0.20 0.01 0.00 -1.62 0.00 0.00 43.42 41.82 1nqt n LEU 315 CO 0.05 -0.40 0.32 -0.62 -1.22 0.00 0.00 177.39 175.53 1nqt n GLU 316 N -1.81 -0.13 -1.82 3.23 1.02 -1.22 -4.61 120.64 115.30 1nqt n GLU 316 Ca -0.00 -0.79 -0.39 0.00 -0.02 0.00 0.00 57.16 55.96 1nqt n GLU 316 Cb 0.55 -1.05 0.03 0.00 -0.02 0.00 0.00 31.44 30.95 1nqt n GLU 316 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nqt s ALA 317 N -0.32 2.98 0.62 0.62 0.00 0.40 -4.29 121.76 121.78 1nqt s ALA 317 Ca 0.03 1.36 -0.18 0.00 0.00 0.00 0.00 51.96 53.17 1nqt s ALA 317 Cb 0.02 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 1nqt s ALA 317 CO 0.03 -1.26 1.24 0.34 0.00 0.00 0.00 175.76 176.11 1nqt s ASP 318 N -0.81 4.90 0.00 0.00 2.15 -1.26 -4.29 116.67 117.36 1nqt s ASP 318 Ca 0.67 2.46 0.00 0.00 0.43 0.00 0.00 52.55 56.11 1nqt s ASP 318 Cb -0.41 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.61 1nqt s ASP 318 CO 0.50 -1.79 0.00 0.00 -0.17 0.00 0.00 175.17 173.71 1nqt n ASP 320 N 0.00 1.83 -4.18 0.00 9.92 0.03 -3.11 116.55 121.04 1nqt n ASP 320 Ca 0.00 0.18 -0.32 0.00 -0.53 0.00 0.00 54.79 54.12 1nqt n ASP 320 Cb 0.00 -0.60 -0.17 0.00 -0.64 0.00 0.00 41.12 39.71 1nqt n ASP 320 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1nqt s ILE 321 N -2.56 2.08 -0.13 0.53 1.01 0.21 -2.44 121.20 119.89 1nqt s ILE 321 Ca -0.21 -0.98 -0.01 0.00 0.00 0.00 0.00 60.65 59.45 1nqt s ILE 321 Cb 0.07 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.70 1nqt s ILE 321 CO 0.76 0.55 -0.10 -0.22 0.00 0.00 0.00 174.94 175.93 1nqt s LEU 322 N 0.76 2.92 -0.27 2.97 1.98 0.37 -0.50 118.68 126.91 1nqt s LEU 322 Ca -0.08 -0.24 0.00 0.00 -2.89 0.00 0.00 54.13 50.92 1nqt s LEU 322 Cb -0.16 -1.67 0.08 0.00 0.66 0.00 0.00 46.19 45.10 1nqt s LEU 322 CO -0.01 0.18 0.03 -0.51 -1.89 0.00 0.00 176.35 174.15 1nqt s ILE 323 N 0.27 1.28 -0.62 6.68 2.07 0.14 -0.74 121.20 130.28 1nqt s ILE 323 Ca -0.07 -1.36 -0.27 0.00 -1.41 0.00 0.00 60.65 57.54 1nqt s ILE 323 Cb -0.15 -1.78 -0.00 0.00 0.13 0.00 0.00 42.46 40.66 1nqt s ILE 323 CO 0.04 -0.39 1.67 -2.84 -1.91 0.00 0.00 174.94 171.51 1nqt s PRO 324 N 1.46 2.88 -0.56 3.50 0.02 -1.19 -0.54 135.00 140.56 1nqt s PRO 324 Ca 0.03 0.44 0.04 0.00 0.02 0.00 0.00 61.00 61.52 1nqt s PRO 324 Cb -0.18 -4.30 0.39 0.00 0.02 0.00 0.00 34.50 30.43 1nqt s PRO 324 CO -0.13 -2.45 1.27 0.00 -0.33 0.00 0.00 177.00 175.35 1nqt n ALA 325 N 11.46 5.29 -2.04 -1.55 0.00 0.27 -0.65 120.51 133.30 1nqt n ALA 325 Ca 0.16 -4.37 0.00 0.00 0.00 0.00 0.00 53.44 49.22 1nqt n ALA 325 Cb 0.51 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1nqt n ALA 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqt n ALA 326 N -0.43 0.00 -0.50 0.00 0.00 -1.24 -4.42 120.51 113.92 1nqt n ALA 326 Ca 0.40 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.55 1nqt n ALA 326 Cb 0.52 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.21 1nqt n ALA 326 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1nqt n SER 327 N 0.00 -2.45 -3.81 0.00 3.41 -1.26 -4.72 113.62 104.78 1nqt n SER 327 Ca 0.00 -0.29 -0.28 0.00 -0.26 0.00 0.00 58.87 58.04 1nqt n SER 327 Cb 0.00 -1.08 0.20 0.00 -0.26 0.00 0.00 64.21 63.06 1nqt n SER 327 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1nqt n GLU 328 N -3.98 -1.26 -3.66 4.33 1.02 -1.26 -4.55 120.64 111.27 1nqt n GLU 328 Ca 0.03 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1nqt n GLU 328 Cb 0.56 -1.31 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1nqt n GLU 328 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1nqt n LYS 329 N -3.70 -1.04 0.04 3.49 2.85 -0.30 -4.80 118.16 114.69 1nqt n LYS 329 Ca 0.16 -0.52 -0.01 0.00 -1.05 0.00 0.00 58.31 56.89 1nqt n LYS 329 Cb 0.55 0.93 -0.08 0.00 -0.65 0.00 0.00 35.03 35.78 1nqt n LYS 329 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 177.40 177.72 1nqt h GLN 330 N 3.07 0.00 -4.73 -1.58 5.75 -1.78 -3.43 115.11 112.41 1nqt h GLN 330 Ca 0.00 0.00 -0.69 0.00 -0.15 0.00 0.00 58.65 57.81 1nqt h GLN 330 Cb 0.00 0.00 -0.32 0.00 1.07 0.00 0.00 27.48 28.23 1nqt h GLN 330 CO 0.00 0.37 -0.67 -0.51 -2.65 0.00 0.00 178.83 175.37 1nqt s LEU 331 N -5.94 4.06 0.00 -2.39 1.43 -0.82 -5.00 118.68 110.02 1nqt s LEU 331 Ca -0.02 -1.29 0.00 0.00 -1.03 0.00 0.00 54.13 51.78 1nqt s LEU 331 Cb 0.08 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1nqt s LEU 331 CO 0.81 -0.29 0.00 0.35 0.23 0.00 0.00 176.35 177.45 1nqt n THR 332 N 4.66 0.00 0.23 5.49 -2.24 -1.26 -1.75 114.28 119.40 1nqt n THR 332 Ca -0.12 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1nqt n THR 332 Cb 0.43 -0.59 0.36 0.00 -2.10 0.00 0.00 70.33 68.43 1nqt n THR 332 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1nqt h LYS 333 N 0.00 0.00 0.02 -0.78 3.64 -1.91 -3.04 116.57 114.50 1nqt h LYS 333 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1nqt h LYS 333 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1nqt h LYS 333 CO 0.00 0.12 -0.01 1.03 -2.27 0.00 0.00 179.45 178.32 1nqt h SER 334 N 0.00 -0.02 -0.48 4.20 0.87 -1.97 -3.34 113.55 112.81 1nqt h SER 334 Ca -0.00 -0.68 -0.13 0.00 -1.23 0.00 0.00 61.79 59.75 1nqt h SER 334 Cb 0.86 0.01 -0.08 0.00 -0.44 0.00 0.00 62.40 62.75 1nqt h SER 334 CO 0.02 0.69 0.10 -0.46 -0.53 0.00 0.00 176.83 176.64 1nqt n ASN 335 N -4.76 3.95 -0.03 6.23 2.04 -1.26 -4.55 115.26 116.89 1nqt n ASN 335 Ca -0.09 -3.28 -0.15 0.00 -0.44 0.00 0.00 54.58 50.62 1nqt n ASN 335 Cb 0.34 -0.65 -0.11 0.00 -2.53 0.00 0.00 39.78 36.84 1nqt n ASN 335 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1nqt h ALA 336 N 1.96 0.06 -0.07 -2.53 0.00 -1.65 -3.19 119.26 113.83 1nqt h ALA 336 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1nqt h ALA 336 Cb 1.86 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1nqt h ALA 336 CO 0.47 0.10 0.00 -2.30 0.00 0.00 0.00 179.25 177.53 1nqt n PRO 337 N -4.49 1.45 -1.10 0.00 -0.02 -1.26 -3.12 135.00 126.46 1nqt n PRO 337 Ca -0.09 -0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.02 1nqt n PRO 337 Cb 0.50 -1.52 0.13 0.00 -0.02 0.00 0.00 33.50 32.59 1nqt n PRO 337 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1nqt n ARG 338 N 0.03 1.45 -4.12 -0.52 0.63 -1.21 -5.02 116.66 107.90 1nqt n ARG 338 Ca 0.03 -3.10 -0.35 0.00 -0.92 0.00 0.00 57.85 53.51 1nqt n ARG 338 Cb 0.33 -1.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.86 1nqt n ARG 338 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 1nqt s VAL 339 N -2.64 4.86 -0.12 5.15 -7.23 -1.18 -4.59 120.40 114.65 1nqt s VAL 339 Ca 0.38 -0.12 0.18 0.00 -1.81 0.00 0.00 61.98 60.61 1nqt s VAL 339 Cb 0.38 -3.12 -0.18 0.00 0.56 0.00 0.00 36.38 34.01 1nqt s VAL 339 CO -0.08 0.54 0.64 0.29 -0.31 0.00 0.00 175.10 176.18 1nqt n LYS 340 N 1.83 0.64 -2.09 4.82 4.76 -1.26 -4.95 118.16 121.90 1nqt n LYS 340 Ca -0.18 0.12 -0.37 0.00 -2.87 0.00 0.00 58.31 55.02 1nqt n LYS 340 Cb 0.54 -1.72 0.02 0.00 -1.84 0.00 0.00 35.03 32.03 1nqt n LYS 340 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nqt s ALA 341 N -2.92 2.75 -1.17 7.82 0.00 -1.18 -4.66 121.76 122.38 1nqt s ALA 341 Ca -0.05 1.01 0.22 0.00 0.00 0.00 0.00 51.96 53.14 1nqt s ALA 341 Cb 0.09 -3.44 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 1nqt s ALA 341 CO 0.83 -0.98 0.97 1.63 0.00 0.00 0.00 175.76 178.21 1nqt n LYS 342 N -1.11 0.20 -3.73 0.00 4.76 -1.07 -4.88 118.16 112.33 1nqt n LYS 342 Ca 0.11 -0.16 -0.21 0.00 -2.87 0.00 0.00 58.31 55.17 1nqt n LYS 342 Cb 0.49 -1.50 -0.18 0.00 -1.84 0.00 0.00 35.03 32.00 1nqt n LYS 342 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1nqt s ILE 343 N -2.91 0.13 -0.25 -0.18 1.01 -1.02 -1.63 121.20 116.34 1nqt s ILE 343 Ca 0.10 0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.98 1nqt s ILE 343 Cb 0.16 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 42.31 1nqt s ILE 343 CO 0.81 0.22 -0.01 -0.63 0.00 0.00 0.00 174.94 175.32 1nqt s ILE 344 N 2.02 3.41 -0.47 2.92 1.01 0.41 -0.48 121.20 130.03 1nqt s ILE 344 Ca 0.04 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 1nqt s ILE 344 Cb -0.12 -2.65 0.10 0.00 0.01 0.00 0.00 42.46 39.80 1nqt s ILE 344 CO -0.04 0.28 0.36 0.00 0.00 0.00 0.00 174.94 175.54 1nqt s ALA 345 N 1.45 3.44 -0.90 9.38 0.00 0.08 -0.63 121.76 134.58 1nqt s ALA 345 Ca 0.04 -2.35 -0.25 0.00 0.00 0.00 0.00 51.96 49.40 1nqt s ALA 345 Cb -0.16 -2.91 -0.06 0.00 0.00 0.00 0.00 23.12 20.00 1nqt s ALA 345 CO -0.02 -1.82 1.99 -1.21 0.00 0.00 0.00 175.76 174.69 1nqt s GLU 346 N 1.48 2.47 -0.24 0.00 2.02 -0.73 -3.19 118.70 120.50 1nqt s GLU 346 Ca 0.04 -0.24 -0.00 0.00 0.02 0.00 0.00 54.97 54.78 1nqt s GLU 346 Cb -0.26 -5.04 0.19 0.00 0.10 0.00 0.00 34.13 29.12 1nqt s GLU 346 CO 0.02 -3.49 1.91 0.41 0.02 0.00 0.00 175.26 174.13 1nqt n GLY 347 N 6.83 3.66 3.95 -1.39 0.00 0.18 -3.98 105.19 114.43 1nqt n GLY 347 Ca 0.41 -0.81 0.01 0.00 0.00 0.00 0.00 46.02 45.63 1nqt n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt s ALA 348 N -1.43 -2.21 -0.15 4.61 0.00 -1.21 -4.26 121.76 117.11 1nqt s ALA 348 Ca 0.24 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.04 1nqt s ALA 348 Cb 0.19 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 1nqt s ALA 348 CO 0.00 -1.12 0.22 -0.80 0.00 0.00 0.00 175.76 174.07 1nqt s ASN 349 N -3.67 6.39 -1.33 0.00 0.01 -1.26 -4.52 114.94 110.56 1nqt s ASN 349 Ca 0.27 0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 52.86 1nqt s ASN 349 Cb -0.01 -2.14 0.01 0.00 0.41 0.00 0.00 41.25 39.52 1nqt s ASN 349 CO 0.01 0.20 0.70 0.61 -1.51 0.00 0.00 177.10 177.12 1nqt n GLY 350 N 3.02 -0.30 1.30 0.66 0.00 -1.26 -4.63 105.19 103.98 1nqt n GLY 350 Ca -0.15 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.06 1nqt n GLY 350 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1nqt n PRO 351 N -4.31 3.21 -3.66 1.61 -0.04 -1.26 -1.15 135.00 129.40 1nqt n PRO 351 Ca -0.27 -2.08 -0.09 0.00 -0.04 0.00 0.00 63.50 61.02 1nqt n PRO 351 Cb 0.67 -1.83 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 1nqt n PRO 351 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nqt s THR 352 N -1.92 -0.56 0.53 0.52 -1.32 -1.26 -1.94 115.64 109.68 1nqt s THR 352 Ca 0.37 0.17 -0.18 0.00 -1.21 0.00 0.00 61.69 60.84 1nqt s THR 352 Cb 0.25 -0.64 -0.07 0.00 -1.51 0.00 0.00 72.50 70.54 1nqt s THR 352 CO 0.15 0.07 1.02 0.42 -2.21 0.00 0.00 174.62 174.08 1nqt s THR 353 N 2.46 4.04 0.27 5.08 -4.23 -0.72 -4.85 115.64 117.69 1nqt s THR 353 Ca -0.02 1.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.50 1nqt s THR 353 Cb -0.12 -3.50 0.39 0.00 1.34 0.00 0.00 72.50 70.61 1nqt s THR 353 CO -0.12 -0.46 1.58 -0.65 -0.54 0.00 0.00 174.62 174.43 1nqt h PRO 354 N 1.02 0.02 -0.77 3.99 0.11 -1.96 0.74 132.00 135.14 1nqt h PRO 354 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1nqt h PRO 354 Cb 1.21 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1nqt h PRO 354 CO 0.59 0.01 0.36 0.93 -0.21 0.00 0.00 178.00 179.68 1nqt h GLU 355 N 0.02 1.10 -0.28 1.05 4.39 -1.94 -1.93 114.58 116.98 1nqt h GLU 355 Ca 0.47 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 1nqt h GLU 355 Cb 0.79 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 29.23 1nqt h GLU 355 CO -0.89 0.85 -0.06 0.00 -1.16 0.00 0.00 179.01 177.75 1nqt h ALA 356 N 1.30 1.37 -0.38 3.43 0.00 0.24 -2.88 119.26 122.35 1nqt h ALA 356 Ca 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1nqt h ALA 356 Cb 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nqt h ALA 356 CO -0.03 0.43 0.00 -0.25 0.00 0.00 0.00 179.25 179.40 1nqt n ASP 357 N -4.26 0.00 0.00 0.00 9.92 -0.35 -1.83 116.55 120.03 1nqt n ASP 357 Ca 0.01 0.89 0.00 0.00 -0.53 0.00 0.00 54.79 55.16 1nqt n ASP 357 Cb 0.27 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.31 1nqt n ASP 357 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1nqt n LYS 358 N -1.81 0.00 -0.02 -1.24 5.02 -0.89 0.68 118.16 119.89 1nqt n LYS 358 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1nqt n LYS 358 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1nqt n LYS 358 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1nqt h ILE 359 N 0.00 0.33 -0.19 -0.18 5.03 -1.49 -0.92 117.51 120.09 1nqt h ILE 359 Ca 0.00 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.79 1nqt h ILE 359 Cb 0.00 0.33 -0.01 0.00 -3.03 0.00 0.00 36.82 34.11 1nqt h ILE 359 CO 0.00 0.00 0.15 -0.26 -0.68 0.00 0.00 178.15 177.36 1nqt h PHE 360 N -0.33 0.00 0.01 1.37 0.04 0.10 0.69 116.94 118.82 1nqt h PHE 360 Ca 0.11 0.00 -0.20 0.00 2.80 0.00 0.00 57.97 60.69 1nqt h PHE 360 Cb 0.51 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.64 1nqt h PHE 360 CO -0.41 0.00 -0.92 -0.07 -0.60 0.00 0.00 178.31 176.31 1nqt h LEU 361 N 0.00 0.11 -0.41 1.54 4.07 0.03 0.81 115.31 121.45 1nqt h LEU 361 Ca 0.09 -0.10 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 1nqt h LEU 361 Cb 0.38 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 1nqt h LEU 361 CO -0.00 0.97 -0.09 -0.33 -1.08 0.00 0.00 178.44 177.91 1nqt h GLU 362 N 0.04 0.78 -2.36 1.13 5.08 0.06 -3.19 114.58 116.12 1nqt h GLU 362 Ca -0.03 -0.29 -0.71 0.00 -1.00 0.00 0.00 59.36 57.32 1nqt h GLU 362 Cb 1.60 -0.05 -0.34 0.00 0.50 0.00 0.00 28.75 30.46 1nqt h GLU 362 CO 0.13 0.91 0.26 2.89 -1.00 0.00 0.00 179.01 182.19 1nqt n ARG 363 N -4.33 4.24 -1.00 2.33 1.85 0.02 -4.98 116.66 114.78 1nqt n ARG 363 Ca -0.01 -4.72 0.00 0.00 -1.00 0.00 0.00 57.85 52.12 1nqt n ARG 363 Cb 0.36 -2.38 0.00 0.00 -1.05 0.00 0.00 32.46 29.39 1nqt n ARG 363 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1nqt n ASN 364 N 0.20 0.00 -3.98 2.89 5.03 -1.16 -4.87 115.26 113.38 1nqt n ASN 364 Ca 0.37 0.00 -0.28 0.00 0.87 0.00 0.00 54.58 55.53 1nqt n ASN 364 Cb 0.33 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.92 1nqt n ASN 364 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nqt s ILE 365 N -0.24 1.31 -0.30 2.41 -1.09 0.28 -4.92 121.20 118.65 1nqt s ILE 365 Ca 0.00 -0.48 -0.26 0.00 -2.23 0.00 0.00 60.65 57.68 1nqt s ILE 365 Cb 0.00 -1.26 0.01 0.00 -1.58 0.00 0.00 42.46 39.62 1nqt s ILE 365 CO 0.00 0.41 0.91 -0.32 -1.23 0.00 0.00 174.94 174.72 1nqt s MET 366 N 1.48 4.05 -0.32 2.79 -2.45 -0.65 -4.49 119.30 119.71 1nqt s MET 366 Ca 0.03 0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 55.29 1nqt s MET 366 Cb -0.13 -3.72 0.05 0.00 1.25 0.00 0.00 34.83 32.28 1nqt s MET 366 CO -0.08 -0.73 0.05 0.08 1.05 0.00 0.00 175.02 175.38 1nqt s VAL 367 N 3.20 3.33 -0.56 10.11 1.01 -1.26 -0.45 120.40 135.79 1nqt s VAL 367 Ca 0.38 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.82 1nqt s VAL 367 Cb -0.14 -2.90 0.03 0.00 0.00 0.00 0.00 36.38 33.37 1nqt s VAL 367 CO 0.12 -0.14 1.07 -0.63 0.00 0.00 0.00 175.10 175.52 1nqt s ILE 368 N 1.32 4.20 0.09 2.22 1.01 0.20 -4.15 121.20 126.09 1nqt s ILE 368 Ca -0.04 0.64 -0.36 0.00 0.00 0.00 0.00 60.65 60.89 1nqt s ILE 368 Cb -0.20 -4.63 -0.17 0.00 0.01 0.00 0.00 42.46 37.47 1nqt s ILE 368 CO 0.01 -1.21 1.16 -2.65 0.00 0.00 0.00 174.94 172.24 1nqt n PRO 369 N 7.95 0.73 -0.13 2.79 -0.02 -1.26 -1.78 135.00 143.27 1nqt n PRO 369 Ca 0.06 0.26 -0.06 0.00 -2.02 0.00 0.00 63.50 61.74 1nqt n PRO 369 Cb 0.48 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.19 1nqt n PRO 369 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1nqt h ASP 370 N 3.55 -0.79 -0.75 2.55 3.04 -1.79 0.80 116.42 123.03 1nqt h ASP 370 Ca -0.46 0.17 0.22 0.00 -3.24 0.00 0.00 57.03 53.71 1nqt h ASP 370 Cb 1.37 0.41 -0.03 0.00 -1.04 0.00 0.00 39.33 40.04 1nqt h ASP 370 CO 0.71 -0.26 1.15 0.25 -2.04 0.00 0.00 179.24 179.05 1nqt h LEU 371 N -0.15 0.00 0.00 0.15 5.85 -1.91 -0.65 115.31 118.60 1nqt h LEU 371 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1nqt h LEU 371 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 1nqt h LEU 371 CO -0.51 0.00 -0.73 0.00 -0.34 0.00 0.00 178.44 176.86 1nqt n TYR 372 N -3.05 0.00 -0.21 1.25 4.19 -0.05 -4.38 117.16 114.90 1nqt n TYR 372 Ca 0.17 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.31 1nqt n TYR 372 Cb 1.38 0.10 0.06 0.00 0.49 0.00 0.00 39.34 41.37 1nqt n TYR 372 CO 0.00 0.00 0.00 1.25 0.91 0.00 0.00 176.86 179.02 1nqt h LEU 373 N 0.00 1.01 -3.77 2.98 5.85 0.85 -3.07 115.31 119.16 1nqt h LEU 373 Ca 0.00 -0.25 -0.49 0.00 0.84 0.00 0.00 57.88 57.98 1nqt h LEU 373 Cb 0.73 -0.27 -0.21 0.00 0.37 0.00 0.00 40.66 41.28 1nqt h LEU 373 CO 0.00 1.02 0.62 -3.20 -0.34 0.00 0.00 178.44 176.54 1nqt n ASN 374 N -4.21 7.01 -0.20 1.25 5.15 -0.28 -3.69 115.26 120.30 1nqt n ASN 374 Ca 0.04 -3.39 0.05 0.00 -0.60 0.00 0.00 54.58 50.68 1nqt n ASN 374 Cb 0.30 -1.03 -0.01 0.00 -0.53 0.00 0.00 39.78 38.51 1nqt n ASN 374 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nqt n ALA 375 N -0.17 2.93 -0.34 5.20 0.00 -1.16 -4.56 120.51 122.40 1nqt n ALA 375 Ca 0.45 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.54 1nqt n ALA 375 Cb 0.60 -0.37 0.23 0.00 0.00 0.00 0.00 19.45 19.91 1nqt n ALA 375 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nqt h GLY 376 N 2.27 1.57 0.99 0.00 0.00 -1.80 -0.61 103.07 105.49 1nqt h GLY 376 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1nqt h GLY 376 CO 0.00 0.13 -0.14 -1.33 0.00 0.00 0.00 176.54 175.20 1nqt h GLY 377 N 0.92 -0.41 0.31 4.60 0.00 -1.80 -2.52 103.07 104.18 1nqt h GLY 377 Ca 0.48 0.15 0.05 0.00 0.00 0.00 0.00 47.33 48.01 1nqt h GLY 377 CO -0.28 -0.15 -0.22 -2.08 0.00 0.00 0.00 176.54 173.82 1nqt h VAL 378 N -0.41 0.46 -0.67 4.60 2.07 -1.73 -0.50 116.25 120.08 1nqt h VAL 378 Ca -0.04 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.58 1nqt h VAL 378 Cb 0.31 0.46 -0.12 0.00 -1.52 0.00 0.00 31.29 30.42 1nqt h VAL 378 CO 0.07 0.00 -0.40 0.74 0.02 0.00 0.00 177.57 177.99 1nqt h THR 379 N -0.27 0.09 0.00 2.57 2.02 -0.95 0.33 112.91 116.71 1nqt h THR 379 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 1nqt h THR 379 Cb 0.43 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.93 1nqt h THR 379 CO -0.30 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.11 1nqt n VAL 380 N -5.42 0.90 0.04 3.16 0.31 -0.87 -1.63 118.33 114.82 1nqt n VAL 380 Ca 0.04 0.22 -0.08 0.00 -0.01 0.00 0.00 64.34 64.51 1nqt n VAL 380 Cb 0.36 -1.03 -0.13 0.00 -0.91 0.00 0.00 33.84 32.13 1nqt n VAL 380 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1nqt h SER 381 N 0.00 0.05 0.40 4.52 4.64 0.12 -2.58 113.55 120.70 1nqt h SER 381 Ca 0.00 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.25 1nqt h SER 381 Cb 0.31 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1nqt h SER 381 CO 0.00 1.05 -0.31 0.22 -0.87 0.00 0.00 176.83 176.92 1nqt h TYR 382 N 0.01 -0.85 -0.90 4.77 -0.00 -0.08 -1.90 116.97 118.03 1nqt h TYR 382 Ca -0.09 -0.00 0.24 0.00 -0.00 0.00 0.00 58.73 58.88 1nqt h TYR 382 Cb 1.85 0.32 -0.14 0.00 -0.00 0.00 0.00 36.73 38.76 1nqt h TYR 382 CO 0.01 -0.44 0.33 0.74 -0.00 0.00 0.00 178.16 178.80 1nqt h PHE 383 N -0.68 0.52 -0.40 -3.82 0.05 -1.55 0.43 116.94 111.49 1nqt h PHE 383 Ca -0.05 0.05 0.04 0.00 3.82 0.00 0.00 57.97 61.82 1nqt h PHE 383 Cb 0.57 -0.08 -0.04 0.00 2.00 0.00 0.00 35.95 38.40 1nqt h PHE 383 CO -0.11 -0.15 0.18 1.49 -0.18 0.00 0.00 178.31 179.54 1nqt h GLU 384 N 0.28 0.36 0.25 1.51 4.81 -1.24 0.78 114.58 121.33 1nqt h GLU 384 Ca 0.58 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.79 1nqt h GLU 384 Cb 1.16 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.42 1nqt h GLU 384 CO -0.61 0.24 -0.52 2.35 -0.73 0.00 0.00 179.01 179.74 1nqt h TRP 385 N 0.37 -1.48 -0.53 0.92 7.01 -0.10 -0.65 115.95 121.48 1nqt h TRP 385 Ca 0.18 0.03 0.11 0.00 2.11 0.00 0.00 58.89 61.32 1nqt h TRP 385 Cb 0.12 0.61 -0.10 0.00 -2.10 0.00 0.00 29.16 27.69 1nqt h TRP 385 CO -0.12 -0.62 -0.16 -0.07 -2.79 0.00 0.00 178.44 174.68 1nqt h LEU 386 N -0.84 -0.57 -2.38 0.65 3.38 -0.89 0.96 115.31 115.63 1nqt h LEU 386 Ca -0.02 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1nqt h LEU 386 Cb 0.80 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nqt h LEU 386 CO -0.21 -0.20 0.15 0.50 0.09 0.00 0.00 178.44 178.77 1nqt h LYS 387 N -0.03 0.00 0.00 1.13 3.64 0.18 0.90 116.57 122.39 1nqt h LYS 387 Ca 0.26 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.43 1nqt h LYS 387 Cb 0.42 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1nqt h LYS 387 CO -0.57 0.00 -1.64 0.09 -2.27 0.00 0.00 179.45 175.06 1nqt n ASN 388 N -2.89 0.69 0.08 4.20 3.02 0.32 -2.54 115.26 118.13 1nqt n ASN 388 Ca -0.02 0.31 -0.16 0.00 -0.03 0.00 0.00 54.58 54.67 1nqt n ASN 388 Cb 0.20 0.35 -0.08 0.00 -0.61 0.00 0.00 39.78 39.64 1nqt n ASN 388 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1nqt h LEU 389 N 0.00 0.60 -1.54 3.41 3.38 0.21 -2.75 115.31 118.62 1nqt h LEU 389 Ca -0.23 -0.53 -0.04 0.00 0.09 0.00 0.00 57.88 57.17 1nqt h LEU 389 Cb 1.72 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.28 1nqt h LEU 389 CO 0.05 1.35 -0.20 0.78 0.09 0.00 0.00 178.44 180.50 1nqt h ASN 390 N 0.22 0.00 -0.49 -0.43 2.35 0.13 -3.45 115.58 113.91 1nqt h ASN 390 Ca -0.12 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.42 1nqt h ASN 390 Cb 1.74 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.02 1nqt h ASN 390 CO 0.19 0.20 -0.19 1.41 -1.65 0.00 0.00 177.43 177.39 1nqt n HIS 391 N -3.64 0.00 -3.75 1.19 8.25 -1.04 -4.96 115.22 111.27 1nqt n HIS 391 Ca -0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.32 1nqt n HIS 391 Cb 0.33 -2.33 -0.11 0.00 1.12 0.00 0.00 29.99 29.00 1nqt n HIS 391 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1nqt s VAL 392 N -2.11 -0.01 0.28 1.59 1.01 -1.23 -5.04 120.40 114.89 1nqt s VAL 392 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 1nqt s VAL 392 Cb 0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 36.38 35.78 1nqt s VAL 392 CO 0.00 0.01 1.30 -1.54 0.00 0.00 0.00 175.10 174.87 1nqt n SER 393 N 3.16 2.49 -4.70 3.32 3.41 -1.26 -4.84 113.62 115.20 1nqt n SER 393 Ca -0.15 1.17 -0.42 0.00 -0.26 0.00 0.00 58.87 59.21 1nqt n SER 393 Cb 0.57 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 63.07 1nqt n SER 393 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1nqt s TYR 394 N -0.55 2.40 0.00 7.33 1.51 -1.26 -2.29 117.35 124.48 1nqt s TYR 394 Ca 0.63 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 1nqt s TYR 394 Cb -0.64 -4.17 0.00 0.00 -0.11 0.00 0.00 41.96 37.04 1nqt s TYR 394 CO 0.55 -4.71 0.00 0.41 -1.11 0.00 0.00 175.55 170.69 1nqt n GLY 395 N 4.16 0.61 0.26 0.71 0.00 -1.26 -4.09 105.19 105.57 1nqt n GLY 395 Ca 0.17 -0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 1nqt n GLY 395 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1nqt h ARG 396 N 1.44 -0.56 -0.92 1.61 1.12 -1.83 -2.77 114.38 112.46 1nqt h ARG 396 Ca 0.00 0.04 -0.06 0.00 -1.11 0.00 0.00 59.98 58.85 1nqt h ARG 396 Cb 0.00 0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.05 1nqt h ARG 396 CO 0.00 -0.29 0.07 1.28 -3.11 0.00 0.00 179.97 177.93 1nqt n LEU 397 N -5.27 3.03 0.00 3.80 4.32 -1.26 -4.25 117.00 117.36 1nqt n LEU 397 Ca -0.11 -1.55 0.00 0.00 -0.02 0.00 0.00 56.01 54.33 1nqt n LEU 397 Cb 0.28 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 1nqt n LEU 397 CO 0.33 0.47 0.00 0.35 -1.22 0.00 0.00 177.39 177.33 1nqt n THR 398 N 0.12 0.00 0.38 -5.08 -2.24 -1.18 -4.82 114.28 101.46 1nqt n THR 398 Ca 0.12 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.75 1nqt n THR 398 Cb 0.65 0.64 -0.07 0.00 -2.10 0.00 0.00 70.33 69.45 1nqt n THR 398 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nqt h PHE 399 N 0.00 -0.90 -0.11 4.78 0.05 -1.67 -2.50 116.94 116.59 1nqt h PHE 399 Ca 0.00 -0.02 0.04 0.00 3.82 0.00 0.00 57.97 61.81 1nqt h PHE 399 Cb 0.33 0.30 -0.06 0.00 2.00 0.00 0.00 35.95 38.51 1nqt h PHE 399 CO 0.00 -0.56 -0.34 -0.22 -0.18 0.00 0.00 178.31 177.01 1nqt h LYS 400 N -1.14 -0.41 -0.72 1.51 1.63 -1.86 0.12 116.57 115.70 1nqt h LYS 400 Ca -0.10 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 59.82 1nqt h LYS 400 Cb 0.75 0.09 -0.12 0.00 -0.60 0.00 0.00 32.23 32.36 1nqt h LYS 400 CO 0.16 -0.28 -0.48 -0.92 -3.45 0.00 0.00 179.45 174.49 1nqt h TYR 401 N -0.43 -1.44 -0.97 1.91 3.20 -1.88 0.23 116.97 117.60 1nqt h TYR 401 Ca 0.09 0.10 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1nqt h TYR 401 Cb 0.57 0.73 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 1nqt h TYR 401 CO -0.41 -0.42 0.61 1.49 -1.64 0.00 0.00 178.16 177.79 1nqt h GLU 402 N -0.16 1.30 -0.95 1.82 4.81 -0.92 0.17 114.58 120.64 1nqt h GLU 402 Ca 0.19 -0.10 0.05 0.00 -0.13 0.00 0.00 59.36 59.37 1nqt h GLU 402 Cb 0.54 -0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.58 1nqt h GLU 402 CO -0.78 0.88 0.62 -0.09 -0.73 0.00 0.00 179.01 178.91 1nqt h ARG 403 N 1.33 1.11 0.00 1.92 2.43 0.14 0.51 114.38 121.82 1nqt h ARG 403 Ca 0.35 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.45 1nqt h ARG 403 Cb -0.10 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.20 1nqt h ARG 403 CO -0.07 0.73 0.00 -0.25 -1.51 0.00 0.00 179.97 178.87 1nqt n ASP 404 N -4.47 0.00 -0.00 -3.80 10.43 0.59 -2.71 116.55 116.59 1nqt n ASP 404 Ca 0.14 0.46 0.00 0.00 2.57 0.00 0.00 54.79 57.96 1nqt n ASP 404 Cb 0.15 -0.11 0.00 0.00 1.84 0.00 0.00 41.12 43.00 1nqt n ASP 404 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 1nqt n SER 405 N -0.82 -0.00 0.00 -2.24 2.88 0.47 -0.07 113.62 113.83 1nqt n SER 405 Ca 0.00 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 1nqt n SER 405 Cb 0.00 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nqt n SER 405 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1nqt n ASN 406 N -4.01 0.00 -0.54 -3.46 5.03 0.17 -1.50 115.26 110.96 1nqt n ASN 406 Ca 0.00 0.99 0.45 0.00 0.87 0.00 0.00 54.58 56.89 1nqt n ASN 406 Cb 0.00 -0.49 0.78 0.00 -1.02 0.00 0.00 39.78 39.05 1nqt n ASN 406 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1nqt h TYR 407 N 0.00 0.06 -0.22 3.10 0.99 -0.27 1.58 116.97 122.22 1nqt h TYR 407 Ca 0.00 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.60 1nqt h TYR 407 Cb 0.00 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 37.70 1nqt h TYR 407 CO -0.02 -0.02 -0.42 0.45 -0.00 0.00 0.00 178.16 178.15 1nqt h HIS 408 N 0.02 0.62 -0.18 4.88 3.86 -1.05 0.25 115.15 123.55 1nqt h HIS 408 Ca 0.78 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.72 1nqt h HIS 408 Cb 3.07 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 31.40 1nqt h HIS 408 CO -0.00 0.86 -0.22 1.25 0.86 0.00 0.00 177.93 180.68 1nqt h LEU 409 N 0.43 0.50 0.12 2.43 7.12 0.34 -2.23 115.31 124.01 1nqt h LEU 409 Ca 0.03 -0.50 -0.01 0.00 0.13 0.00 0.00 57.88 57.53 1nqt h LEU 409 Cb 0.92 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1nqt h LEU 409 CO 0.08 0.91 -0.06 -0.07 -0.13 0.00 0.00 178.44 179.17 1nqt h LEU 410 N 0.11 -0.14 -1.82 2.25 3.38 -1.28 -2.61 115.31 115.19 1nqt h LEU 410 Ca 0.02 -0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.09 1nqt h LEU 410 Cb 0.79 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1nqt h LEU 410 CO 0.05 0.02 0.55 0.24 0.09 0.00 0.00 178.44 179.39 1nqt h MET 411 N -0.29 0.15 0.22 1.13 2.86 -0.94 -0.28 114.93 117.77 1nqt h MET 411 Ca -0.02 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1nqt h MET 411 Cb 0.23 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1nqt h MET 411 CO 0.03 0.10 -0.11 0.77 1.06 0.00 0.00 176.91 178.76 1nqt h SER 412 N 0.15 -0.25 -1.06 1.22 0.02 -1.16 -2.40 113.55 110.07 1nqt h SER 412 Ca 0.39 -0.26 0.29 0.00 -0.84 0.00 0.00 61.79 61.37 1nqt h SER 412 Cb 1.29 0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.84 1nqt h SER 412 CO -0.06 0.26 0.74 0.58 -1.14 0.00 0.00 176.83 177.21 1nqt h VAL 413 N -0.92 0.49 -0.01 2.27 2.07 -0.87 0.24 116.25 119.52 1nqt h VAL 413 Ca -0.03 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1nqt h VAL 413 Cb 0.49 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1nqt h VAL 413 CO 0.05 0.03 -0.06 -0.61 0.02 0.00 0.00 177.57 177.00 1nqt h GLN 414 N 0.14 0.06 -0.37 1.57 4.15 -1.09 -2.64 115.11 116.93 1nqt h GLN 414 Ca 0.54 -0.05 -0.11 0.00 0.77 0.00 0.00 58.65 59.80 1nqt h GLN 414 Cb 1.85 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.54 1nqt h GLN 414 CO -0.11 0.73 -0.19 0.93 -1.93 0.00 0.00 178.83 178.26 1nqt h GLU 415 N -0.59 0.78 0.29 1.69 5.08 -0.70 -0.37 114.58 120.77 1nqt h GLU 415 Ca -0.00 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1nqt h GLU 415 Cb 0.74 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1nqt h GLU 415 CO 0.01 0.97 -0.30 0.77 -1.00 0.00 0.00 179.01 179.46 1nqt h SER 416 N 0.58 -0.81 -0.10 1.42 0.02 -0.68 -0.99 113.55 112.99 1nqt h SER 416 Ca 0.08 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1nqt h SER 416 Cb 0.74 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.55 1nqt h SER 416 CO 0.06 -0.43 0.13 -0.07 -1.14 0.00 0.00 176.83 175.38 1nqt h LEU 417 N -0.62 0.00 -2.81 5.07 4.07 -1.40 0.38 115.31 120.00 1nqt h LEU 417 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1nqt h LEU 417 Cb 0.57 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.31 1nqt h LEU 417 CO -0.07 0.00 0.00 -0.62 -1.08 0.00 0.00 178.44 176.67 1nqt n GLU 418 N -3.68 3.69 -0.00 1.13 1.02 -0.16 -3.35 120.64 119.29 1nqt n GLU 418 Ca -0.00 -2.36 0.06 0.00 -0.02 0.00 0.00 57.16 54.84 1nqt n GLU 418 Cb 0.24 -1.97 -0.08 0.00 -0.02 0.00 0.00 31.44 29.61 1nqt n GLU 418 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1nqt n ARG 419 N 0.62 2.55 0.12 3.49 0.63 0.13 -4.23 116.66 119.98 1nqt n ARG 419 Ca 0.21 -0.01 -0.21 0.00 -0.92 0.00 0.00 57.85 56.93 1nqt n ARG 419 Cb 0.89 -1.13 -0.15 0.00 0.45 0.00 0.00 32.46 32.52 1nqt n ARG 419 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 1nqt h LYS 420 N 0.00 0.43 -6.21 -0.14 3.64 -1.58 -3.46 116.57 109.26 1nqt h LYS 420 Ca 0.00 -0.72 -0.48 0.00 -1.27 0.00 0.00 60.65 58.18 1nqt h LYS 420 Cb 0.33 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1nqt h LYS 420 CO 0.00 1.34 -0.40 0.12 -2.27 0.00 0.00 179.45 178.24 1nqt s PHE 421 N -2.67 3.46 -0.80 1.91 2.19 -1.26 -5.02 117.98 115.80 1nqt s PHE 421 Ca -0.07 0.08 -0.05 0.00 0.33 0.00 0.00 56.93 57.22 1nqt s PHE 421 Cb 0.06 -1.65 0.03 0.00 -1.31 0.00 0.00 43.02 40.15 1nqt s PHE 421 CO 0.92 0.41 2.76 0.41 1.83 0.00 0.00 175.22 181.54 1nqt n GLY 422 N -1.27 4.48 3.10 13.12 0.00 -1.26 -4.85 105.19 118.52 1nqt n GLY 422 Ca -0.08 -1.83 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 1nqt n GLY 422 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1nqt s LYS 423 N -0.87 0.64 -0.12 1.61 2.47 -1.26 -5.06 119.74 117.15 1nqt s LYS 423 Ca 0.59 -1.19 0.15 0.00 -1.56 0.00 0.00 55.97 53.96 1nqt s LYS 423 Cb 0.29 0.09 0.50 0.00 -1.46 0.00 0.00 37.83 37.25 1nqt s LYS 423 CO -0.14 -0.08 1.41 0.72 0.16 0.00 0.00 175.35 177.42 1nqt n HIS 424 N 0.21 0.91 -0.95 4.03 8.25 -1.26 -4.60 115.22 121.81 1nqt n HIS 424 Ca -0.14 -0.72 0.00 0.00 -0.26 0.00 0.00 57.72 56.59 1nqt n HIS 424 Cb 0.60 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.48 1nqt n HIS 424 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqt n GLY 425 N 0.04 0.47 0.00 -1.41 0.00 -1.26 -5.04 105.19 97.99 1nqt n GLY 425 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1nqt n GLY 425 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqt n GLY 426 N 0.00 -3.42 3.73 -0.02 0.00 -1.26 -4.61 105.19 99.61 1nqt n GLY 426 Ca 0.00 0.55 -0.42 0.00 0.00 0.00 0.00 46.02 46.15 1nqt n GLY 426 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqt s THR 427 N -1.26 3.01 -0.45 2.61 2.01 -1.26 -5.01 115.64 115.30 1nqt s THR 427 Ca 0.00 0.78 0.05 0.00 0.31 0.00 0.00 61.69 62.83 1nqt s THR 427 Cb 0.00 -3.50 0.42 0.00 0.01 0.00 0.00 72.50 69.43 1nqt s THR 427 CO 0.00 0.09 1.21 -0.38 -0.69 0.00 0.00 174.62 174.85 1nqt n ILE 428 N 3.21 2.52 -0.27 1.82 2.08 -1.26 -4.83 119.36 122.62 1nqt n ILE 428 Ca 0.09 -4.72 0.09 0.00 0.56 0.00 0.00 62.75 58.77 1nqt n ILE 428 Cb 0.41 -1.24 0.23 0.00 -0.75 0.00 0.00 39.64 38.29 1nqt n ILE 428 CO 0.00 0.00 0.00 -0.65 0.56 0.00 0.00 176.55 176.46 1nqt h PRO 429 N 2.53 0.28 -5.01 0.38 0.11 -1.90 -3.26 132.00 125.13 1nqt h PRO 429 Ca 0.34 -0.02 -0.41 0.00 0.11 0.00 0.00 66.00 66.03 1nqt h PRO 429 Cb 0.96 -0.06 0.10 0.00 0.11 0.00 0.00 31.00 32.11 1nqt h PRO 429 CO 0.89 0.19 1.05 0.44 -0.21 0.00 0.00 178.00 180.36 1nqt n ILE 430 N -5.14 0.00 -3.15 4.15 -6.64 -1.26 -4.42 119.36 102.90 1nqt n ILE 430 Ca 0.17 -0.10 0.05 0.00 -1.77 0.00 0.00 62.75 61.10 1nqt n ILE 430 Cb 0.54 -1.61 -0.01 0.00 -1.44 0.00 0.00 39.64 37.13 1nqt n ILE 430 CO 0.00 0.00 0.00 0.54 -1.77 0.00 0.00 176.55 175.32 1nqt s VAL 431 N 7.35 -0.69 0.59 7.28 0.11 -1.23 -5.03 120.40 128.77 1nqt s VAL 431 Ca 0.57 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.44 1nqt s VAL 431 Cb 0.10 -0.83 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1nqt s VAL 431 CO 0.26 0.00 1.14 -2.84 -3.33 0.00 0.00 175.10 170.34 1nqt s PRO 432 N 2.89 3.10 0.41 1.54 0.02 -1.26 -4.97 135.00 136.73 1nqt s PRO 432 Ca 0.14 1.61 -0.26 0.00 0.02 0.00 0.00 61.00 62.52 1nqt s PRO 432 Cb -0.09 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.36 1nqt s PRO 432 CO -0.21 -1.06 1.32 0.25 -0.33 0.00 0.00 177.00 176.97 1nqt n THR 433 N -1.68 2.47 -0.25 0.99 -2.24 -1.26 -4.60 114.28 107.71 1nqt n THR 433 Ca 0.12 -0.50 0.32 0.00 -2.27 0.00 0.00 64.05 61.72 1nqt n THR 433 Cb 0.51 -1.64 0.73 0.00 -2.10 0.00 0.00 70.33 67.83 1nqt n THR 433 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nqt h ALA 434 N 2.25 2.97 0.01 6.98 0.00 -1.99 0.83 119.26 130.31 1nqt h ALA 434 Ca -0.48 -0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.18 1nqt h ALA 434 Cb 1.28 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1nqt h ALA 434 CO 0.61 -1.35 -1.00 0.93 0.00 0.00 0.00 179.25 178.44 1nqt h GLU 435 N 0.00 0.03 0.57 0.00 3.07 -2.00 -2.92 114.58 113.34 1nqt h GLU 435 Ca 0.50 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.28 1nqt h GLU 435 Cb 2.11 0.02 0.01 0.00 -0.84 0.00 0.00 28.75 30.05 1nqt h GLU 435 CO -0.01 1.00 -0.27 0.35 -1.40 0.00 0.00 179.01 178.68 1nqt h PHE 436 N 0.01 -0.71 -1.13 4.33 -0.00 0.29 -2.54 116.94 117.19 1nqt h PHE 436 Ca -0.02 -0.02 0.33 0.00 -0.00 0.00 0.00 57.97 58.26 1nqt h PHE 436 Cb 1.74 0.23 -0.11 0.00 -0.00 0.00 0.00 35.95 37.82 1nqt h PHE 436 CO 0.01 -0.44 0.72 0.37 -0.00 0.00 0.00 178.31 178.97 1nqt h GLN 437 N -0.98 0.27 -0.52 1.11 5.75 -1.21 0.65 115.11 120.18 1nqt h GLN 437 Ca -0.08 -0.02 -0.11 0.00 -0.15 0.00 0.00 58.65 58.30 1nqt h GLN 437 Cb 0.59 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 1nqt h GLN 437 CO 0.13 0.18 -0.10 -0.44 -2.65 0.00 0.00 178.83 175.95 1nqt h ASP 438 N 0.28 0.97 -0.53 -0.69 3.45 -1.41 -1.21 116.42 117.28 1nqt h ASP 438 Ca 0.69 -0.31 -0.11 0.00 0.43 0.00 0.00 57.03 57.73 1nqt h ASP 438 Cb 1.88 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 40.37 1nqt h ASP 438 CO -0.37 1.08 -0.10 -0.09 -1.57 0.00 0.00 179.24 178.19 1nqt h ARG 439 N 0.87 1.02 -0.04 3.56 2.43 0.69 -1.69 114.38 121.22 1nqt h ARG 439 Ca 0.14 -0.37 -0.19 0.00 -0.81 0.00 0.00 59.98 58.75 1nqt h ARG 439 Cb 0.64 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1nqt h ARG 439 CO 0.04 1.05 -0.80 0.82 -1.51 0.00 0.00 179.97 179.58 1nqt h ILE 440 N 0.91 1.40 0.03 1.20 2.04 -1.11 -1.58 117.51 120.40 1nqt h ILE 440 Ca 0.14 -2.29 -0.24 0.00 1.00 0.00 0.00 64.86 63.47 1nqt h ILE 440 Cb 0.66 2.24 0.01 0.00 -0.74 0.00 0.00 36.82 38.99 1nqt h ILE 440 CO 0.05 0.68 -1.02 -1.28 0.00 0.00 0.00 178.15 176.58 1nqt h SER 441 N 0.23 0.58 0.05 1.72 0.87 -1.22 -3.32 113.55 112.47 1nqt h SER 441 Ca -0.04 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.02 1nqt h SER 441 Cb 1.39 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1nqt h SER 441 CO 0.13 1.31 -0.39 0.61 -0.53 0.00 0.00 176.83 177.96 1nqt n GLY 442 N 1.08 -0.10 1.05 5.77 0.00 -0.64 -5.03 105.19 107.31 1nqt n GLY 442 Ca -0.08 -0.58 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 1nqt n GLY 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqt n ALA 443 N -0.13 -1.51 -3.70 4.61 0.00 -0.59 -4.96 120.51 114.22 1nqt n ALA 443 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1nqt n ALA 443 Cb 0.44 -0.51 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1nqt n ALA 443 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nqt s SER 444 N -0.15 -0.36 0.36 0.00 1.04 -1.26 -5.04 113.70 108.28 1nqt s SER 444 Ca 0.24 -0.38 0.04 0.00 0.48 0.00 0.00 55.95 56.32 1nqt s SER 444 Cb -0.33 0.67 0.68 0.00 0.10 0.00 0.00 66.02 67.13 1nqt s SER 444 CO 0.17 -1.19 1.98 -0.08 0.98 0.00 0.00 173.24 175.10 1nqt h GLU 445 N 2.00 0.66 -0.73 4.02 4.81 -1.94 0.06 114.58 123.48 1nqt h GLU 445 Ca -0.24 -0.07 0.20 0.00 -0.13 0.00 0.00 59.36 59.12 1nqt h GLU 445 Cb 1.27 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1nqt h GLU 445 CO 0.28 0.51 0.52 1.57 -0.73 0.00 0.00 179.01 181.16 1nqt h LYS 446 N 0.67 0.06 -0.40 1.92 2.10 -1.91 0.35 116.57 119.36 1nqt h LYS 446 Ca 0.17 -0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.69 1nqt h LYS 446 Cb 0.05 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1nqt h LYS 446 CO -0.02 0.04 -0.23 -0.44 -2.00 0.00 0.00 179.45 176.80 1nqt h ASP 447 N 0.06 0.89 -0.04 7.07 3.32 -1.32 0.48 116.42 126.89 1nqt h ASP 447 Ca 0.35 -0.42 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1nqt h ASP 447 Cb 1.30 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1nqt h ASP 447 CO -0.03 1.11 -0.00 0.40 -1.72 0.00 0.00 179.24 179.00 1nqt h ILE 448 N 0.67 1.27 0.28 0.35 1.08 -1.03 -2.50 117.51 117.63 1nqt h ILE 448 Ca 0.08 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1nqt h ILE 448 Cb 0.79 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 36.25 1nqt h ILE 448 CO 0.07 0.22 -0.39 0.58 -0.69 0.00 0.00 178.15 177.93 1nqt h VAL 449 N -0.24 0.20 -0.88 1.67 2.07 -1.03 -0.10 116.25 117.94 1nqt h VAL 449 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1nqt h VAL 449 Cb 0.36 0.20 -0.08 0.00 -1.52 0.00 0.00 31.29 30.24 1nqt h VAL 449 CO 0.00 0.00 0.50 0.45 0.02 0.00 0.00 177.57 178.54 1nqt h HIS 450 N -0.73 0.90 0.00 1.57 3.86 -0.95 0.12 115.15 119.92 1nqt h HIS 450 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1nqt h HIS 450 Cb 0.69 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1nqt h HIS 450 CO -0.27 0.31 0.00 0.45 0.86 0.00 0.00 177.93 179.29 1nqt n SER 451 N -4.76 0.00 -0.18 2.45 2.88 -0.93 -1.00 113.62 112.09 1nqt n SER 451 Ca 0.16 0.83 0.26 0.00 -1.33 0.00 0.00 58.87 58.78 1nqt n SER 451 Cb 0.35 -0.33 0.39 0.00 -0.75 0.00 0.00 64.21 63.88 1nqt n SER 451 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nqt n GLY 452 N -0.85 -0.72 0.03 0.46 0.00 -0.10 0.26 105.19 104.28 1nqt n GLY 452 Ca 0.00 0.33 -0.01 0.00 0.00 0.00 0.00 46.02 46.34 1nqt n GLY 452 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1nqt h LEU 453 N 0.00 -0.06 -0.98 0.99 6.46 -0.07 -2.97 115.31 118.68 1nqt h LEU 453 Ca 0.45 0.00 0.27 0.00 -0.12 0.00 0.00 57.88 58.49 1nqt h LEU 453 Cb 2.78 0.02 -0.18 0.00 -0.73 0.00 0.00 40.66 42.55 1nqt h LEU 453 CO -0.00 0.00 0.06 0.00 -0.62 0.00 0.00 178.44 177.88 1nqt h ALA 454 N -1.87 1.21 -0.65 1.25 0.00 0.16 0.48 119.26 119.84 1nqt h ALA 454 Ca -0.01 0.33 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1nqt h ALA 454 Cb 0.06 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1nqt h ALA 454 CO 0.01 -0.58 0.41 -0.92 0.00 0.00 0.00 179.25 178.17 1nqt h TYR 455 N 0.02 0.84 0.68 0.00 5.03 -1.45 0.62 116.97 122.72 1nqt h TYR 455 Ca 0.60 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.88 1nqt h TYR 455 Cb 1.26 -0.28 0.01 0.00 1.55 0.00 0.00 36.73 39.27 1nqt h TYR 455 CO -0.46 0.56 -0.33 1.15 -1.32 0.00 0.00 178.16 177.76 1nqt h THR 456 N 0.88 0.16 -1.08 1.81 2.02 0.05 -0.31 112.91 116.43 1nqt h THR 456 Ca 0.24 -0.27 0.33 0.00 0.77 0.00 0.00 66.41 67.47 1nqt h THR 456 Cb -0.05 0.20 -0.13 0.00 -1.74 0.00 0.00 68.15 66.44 1nqt h THR 456 CO -0.05 0.02 0.66 0.24 0.37 0.00 0.00 175.52 176.76 1nqt h MET 457 N -1.15 0.30 0.36 6.66 2.86 -0.68 0.53 114.93 123.82 1nqt h MET 457 Ca -0.09 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1nqt h MET 457 Cb 0.73 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1nqt h MET 457 CO 0.15 0.20 -0.18 1.49 1.06 0.00 0.00 176.91 179.64 1nqt h GLU 458 N 0.31 -0.47 -0.46 1.72 4.81 -0.71 -1.72 114.58 118.06 1nqt h GLU 458 Ca 0.71 0.03 0.13 0.00 -0.13 0.00 0.00 59.36 60.10 1nqt h GLU 458 Cb 1.79 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.26 1nqt h GLU 458 CO -0.47 -0.31 0.48 -0.09 -0.73 0.00 0.00 179.01 177.89 1nqt h ARG 459 N -0.85 0.00 0.00 1.92 2.43 -0.39 0.22 114.38 117.71 1nqt h ARG 459 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1nqt h ARG 459 Cb 0.38 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.92 1nqt h ARG 459 CO 0.08 0.00 -0.17 0.77 -1.51 0.00 0.00 179.97 179.14 1nqt h SER 460 N 0.00 0.00 -0.84 -3.80 0.02 -0.97 -3.17 113.55 104.79 1nqt h SER 460 Ca 0.22 -0.89 0.15 0.00 -0.84 0.00 0.00 61.79 60.42 1nqt h SER 460 Cb 1.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 1nqt h SER 460 CO -0.00 1.05 -0.30 0.00 -1.14 0.00 0.00 176.83 176.43 1nqt h ALA 461 N -0.11 0.29 0.00 3.77 0.00 0.33 1.00 119.26 124.55 1nqt h ALA 461 Ca -0.05 0.28 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 1nqt h ALA 461 Cb 1.00 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 1nqt h ALA 461 CO -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 179.25 178.40 1nqt h ARG 462 N -0.04 0.00 -0.18 0.00 3.08 -1.28 -1.52 114.38 114.44 1nqt h ARG 462 Ca 0.35 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.27 1nqt h ARG 462 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1nqt h ARG 462 CO -0.87 0.29 -0.44 1.96 -1.07 0.00 0.00 179.97 179.84 1nqt h GLN 463 N 0.00 0.45 0.49 0.04 4.20 0.96 -1.80 115.11 119.45 1nqt h GLN 463 Ca -0.00 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 1nqt h GLN 463 Cb 0.52 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1nqt h GLN 463 CO 0.04 0.80 -0.24 0.82 -0.67 0.00 0.00 178.83 179.58 1nqt h ILE 464 N 0.36 0.33 -0.05 2.54 2.04 -0.31 -1.96 117.51 120.47 1nqt h ILE 464 Ca 0.03 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.43 1nqt h ILE 464 Cb 0.92 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 1nqt h ILE 464 CO 0.08 0.05 -0.08 0.24 0.00 0.00 0.00 178.15 178.44 1nqt h MET 465 N -1.01 -0.06 -0.79 2.37 2.86 -1.27 0.37 114.93 117.39 1nqt h MET 465 Ca -0.07 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.74 1nqt h MET 465 Cb 0.60 0.01 -0.15 0.00 0.06 0.00 0.00 31.60 32.12 1nqt h MET 465 CO 0.11 -0.04 -0.20 -0.09 1.06 0.00 0.00 176.91 177.75 1nqt h ARG 466 N -0.06 0.00 -0.39 1.72 2.43 -1.43 1.41 114.38 118.06 1nqt h ARG 466 Ca 0.01 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1nqt h ARG 466 Cb 0.09 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1nqt h ARG 466 CO -0.08 0.00 0.24 1.15 -1.51 0.00 0.00 179.97 179.77 1nqt h THR 467 N 0.00 1.11 0.41 0.20 2.02 -0.47 -0.49 112.91 115.68 1nqt h THR 467 Ca 0.38 -0.23 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1nqt h THR 467 Cb 0.58 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1nqt h THR 467 CO -0.82 0.11 -0.20 0.00 0.37 0.00 0.00 175.52 174.99 1nqt h ALA 468 N 1.74 -0.90 -0.80 6.16 0.00 0.59 -3.06 119.26 122.98 1nqt h ALA 468 Ca 0.14 -0.12 0.23 0.00 0.00 0.00 0.00 54.91 55.16 1nqt h ALA 468 Cb -0.03 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1nqt h ALA 468 CO -0.03 -0.86 0.64 0.52 0.00 0.00 0.00 179.25 179.52 1nqt h MET 469 N -0.67 0.00 0.00 0.00 2.86 -0.47 0.13 114.93 116.78 1nqt h MET 469 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1nqt h MET 469 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1nqt h MET 469 CO 0.09 0.00 0.00 -0.22 1.06 0.00 0.00 176.91 177.84 1nqt h LYS 470 N 0.00 0.00 -0.03 1.72 3.64 -1.05 -2.70 116.57 118.16 1nqt h LYS 470 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1nqt h LYS 470 Cb 1.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.48 1nqt h LYS 470 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1nqt n TYR 471 N -2.34 0.07 -4.25 1.91 4.01 0.32 -4.99 117.16 111.90 1nqt n TYR 471 Ca 0.05 -0.77 -0.34 0.00 -0.16 0.00 0.00 57.90 56.67 1nqt n TYR 471 Cb 0.39 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 39.22 1nqt n TYR 471 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1nqt n ASN 472 N -0.93 -0.45 -4.89 7.72 4.13 -0.34 -4.93 115.26 115.56 1nqt n ASN 472 Ca 0.10 -1.16 -0.29 0.00 1.68 0.00 0.00 54.58 54.91 1nqt n ASN 472 Cb 0.49 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 1nqt n ASN 472 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1nqt s LEU 473 N -6.90 3.48 0.00 3.41 1.43 -1.01 -5.00 118.68 114.10 1nqt s LEU 473 Ca 0.40 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1nqt s LEU 473 Cb -0.23 -4.11 0.00 0.00 0.03 0.00 0.00 46.19 41.88 1nqt s LEU 473 CO 0.94 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 177.44 1nqt n GLY 474 N -2.43 -0.36 1.03 -3.19 0.00 -1.26 -4.52 105.19 94.46 1nqt n GLY 474 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1nqt n GLY 474 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nqt n LEU 475 N -0.94 3.93 -2.24 0.99 7.99 -1.26 -4.73 117.00 120.74 1nqt n LEU 475 Ca 0.00 -3.60 -0.20 0.00 -0.01 0.00 0.00 56.01 52.20 1nqt n LEU 475 Cb 0.00 -0.60 -0.08 0.00 -0.11 0.00 0.00 43.42 42.62 1nqt n LEU 475 CO 0.00 1.13 1.54 -0.67 -1.51 0.00 0.00 177.39 177.87 1nqt n ASP 476 N -1.02 6.03 -0.40 -1.43 -0.08 -1.26 -4.27 116.55 114.12 1nqt n ASP 476 Ca 0.29 -2.93 0.33 0.00 -1.51 0.00 0.00 54.79 50.98 1nqt n ASP 476 Cb 0.97 -1.27 0.60 0.00 2.34 0.00 0.00 41.12 43.76 1nqt n ASP 476 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nqt h LEU 477 N 4.11 0.31 0.09 -2.67 4.07 -1.85 -1.34 115.31 118.03 1nqt h LEU 477 Ca 0.30 0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.42 1nqt h LEU 477 Cb 1.00 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 42.89 1nqt h LEU 477 CO 0.62 -0.20 -0.06 -0.09 -1.08 0.00 0.00 178.44 177.63 1nqt h ARG 478 N 0.13 -0.14 -0.55 1.13 2.43 -1.83 -1.86 114.38 113.70 1nqt h ARG 478 Ca 0.80 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 60.09 1nqt h ARG 478 Cb 2.31 0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 31.79 1nqt h ARG 478 CO -0.50 -0.09 -0.19 1.15 -1.51 0.00 0.00 179.97 178.83 1nqt h THR 479 N -0.15 0.37 -0.92 0.20 2.02 -1.67 0.43 112.91 113.20 1nqt h THR 479 Ca -0.01 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.43 1nqt h THR 479 Cb 0.12 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 66.76 1nqt h THR 479 CO 0.01 0.00 0.33 0.00 0.37 0.00 0.00 175.52 176.22 1nqt h ALA 480 N 1.41 1.47 0.64 6.16 0.00 -1.28 0.43 119.26 128.09 1nqt h ALA 480 Ca 0.26 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 1nqt h ALA 480 Cb 0.45 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1nqt h ALA 480 CO -0.59 -0.50 -0.31 0.00 0.00 0.00 0.00 179.25 177.85 1nqt h ALA 481 N 1.81 -0.86 0.00 0.00 0.00 0.66 0.21 119.26 121.08 1nqt h ALA 481 Ca 0.61 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1nqt h ALA 481 Cb 1.27 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1nqt h ALA 481 CO -0.65 -0.82 0.08 1.88 0.00 0.00 0.00 179.25 179.74 1nqt h TYR 482 N -1.20 0.00 0.03 0.00 0.05 -0.09 0.39 116.97 116.15 1nqt h TYR 482 Ca -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1nqt h TYR 482 Cb 0.68 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1nqt h TYR 482 CO 0.00 0.00 -0.01 0.28 -1.05 0.00 0.00 178.16 177.38 1nqt h VAL 483 N 0.00 1.16 -0.91 -2.88 2.07 0.10 -2.42 116.25 113.37 1nqt h VAL 483 Ca 0.00 -1.74 0.22 0.00 0.82 0.00 0.00 66.70 65.99 1nqt h VAL 483 Cb 0.16 2.15 -0.12 0.00 -1.52 0.00 0.00 31.29 31.95 1nqt h VAL 483 CO 0.00 0.37 0.44 -1.13 0.02 0.00 0.00 177.57 177.28 1nqt h ASN 484 N -0.95 0.43 0.50 0.57 -1.24 0.17 0.37 115.58 115.42 1nqt h ASN 484 Ca -0.00 0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.13 1nqt h ASN 484 Cb 0.64 0.10 0.00 0.00 0.73 0.00 0.00 38.32 39.80 1nqt h ASN 484 CO 0.01 0.04 -0.24 0.00 -1.29 0.00 0.00 177.43 175.95 1nqt h ALA 485 N 1.70 -0.89 -1.00 1.57 0.00 -0.62 -2.76 119.26 117.26 1nqt h ALA 485 Ca 0.57 -0.15 0.35 0.00 0.00 0.00 0.00 54.91 55.68 1nqt h ALA 485 Cb 1.05 0.26 -0.18 0.00 0.00 0.00 0.00 17.79 18.92 1nqt h ALA 485 CO -0.50 -0.84 0.30 0.82 0.00 0.00 0.00 179.25 179.03 1nqt h ILE 486 N -0.87 0.00 0.53 0.00 1.08 -0.72 0.42 117.51 117.95 1nqt h ILE 486 Ca -0.07 -0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.39 1nqt h ILE 486 Cb 0.51 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.25 1nqt h ILE 486 CO 0.11 0.00 -0.44 -0.33 -0.69 0.00 0.00 178.15 176.81 1nqt h GLU 487 N 0.00 -0.92 0.06 2.37 5.08 -0.94 0.14 114.58 120.38 1nqt h GLU 487 Ca 0.74 0.06 0.01 0.00 -1.00 0.00 0.00 59.36 59.17 1nqt h GLU 487 Cb 1.79 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 31.24 1nqt h GLU 487 CO -0.85 -0.61 -0.08 0.87 -1.00 0.00 0.00 179.01 177.34 1nqt h LYS 488 N -0.95 -0.16 -0.99 2.33 1.57 0.05 0.81 116.57 119.23 1nqt h LYS 488 Ca -0.06 0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 1nqt h LYS 488 Cb 0.81 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.08 1nqt h LYS 488 CO -0.01 -0.11 0.63 0.28 -0.57 0.00 0.00 179.45 179.67 1nqt h VAL 489 N -0.17 0.97 -0.09 0.50 2.07 -0.95 -1.82 116.25 116.76 1nqt h VAL 489 Ca 0.01 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1nqt h VAL 489 Cb 0.17 -0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1nqt h VAL 489 CO -0.03 0.19 0.03 0.15 0.02 0.00 0.00 177.57 177.93 1nqt h PHE 490 N 1.03 0.13 -0.66 1.57 3.57 0.07 -2.87 116.94 119.78 1nqt h PHE 490 Ca 0.47 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 62.05 1nqt h PHE 490 Cb 0.40 -0.04 -0.11 0.00 2.79 0.00 0.00 35.95 38.99 1nqt h PHE 490 CO -0.00 0.26 -0.47 -0.22 -2.23 0.00 0.00 178.31 175.65 1nqt h LYS 491 N -0.03 -0.18 0.15 1.11 3.64 0.01 0.40 116.57 121.66 1nqt h LYS 491 Ca 0.03 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1nqt h LYS 491 Cb 0.19 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1nqt h LYS 491 CO -0.00 -0.12 -0.47 0.28 -2.27 0.00 0.00 179.45 176.86 1nqt h VAL 492 N -0.19 0.00 -0.53 2.00 2.07 -1.48 0.35 116.25 118.47 1nqt h VAL 492 Ca 0.18 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.81 1nqt h VAL 492 Cb 0.55 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.21 1nqt h VAL 492 CO -0.75 0.00 -0.24 1.88 0.02 0.00 0.00 177.57 178.48 1nqt h TYR 493 N -0.70 -0.62 0.46 1.57 0.05 -1.08 -2.77 116.97 113.89 1nqt h TYR 493 Ca -0.01 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 1nqt h TYR 493 Cb 0.69 0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 1nqt h TYR 493 CO -0.41 -0.32 -0.44 -0.97 -1.05 0.00 0.00 178.16 174.97 1nqt h ASN 494 N -0.12 -1.19 0.00 3.88 -0.00 0.38 -0.22 115.58 118.32 1nqt h ASN 494 Ca 0.24 0.10 -0.23 0.00 -0.00 0.00 0.00 56.30 56.41 1nqt h ASN 494 Cb 0.49 0.39 -0.01 0.00 -0.00 0.00 0.00 38.32 39.20 1nqt h ASN 494 CO -0.60 -0.60 1.36 -0.62 -0.00 0.00 0.00 177.43 176.97 1nqt n GLU 495 N -5.53 1.49 0.00 6.67 1.02 0.12 -3.32 120.64 121.09 1nqt n GLU 495 Ca -0.11 -0.97 0.00 0.00 -0.02 0.00 0.00 57.16 56.05 1nqt n GLU 495 Cb 0.42 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.73 1nqt n GLU 495 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nqt n ALA 496 N 3.58 0.00 0.00 0.62 0.00 -1.17 -4.95 120.51 118.59 1nqt n ALA 496 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1nqt n ALA 496 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 1nqt n ALA 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqt n GLY 497 N 0.00 0.52 2.02 0.00 0.00 -0.10 -3.55 105.19 104.08 1nqt n GLY 497 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1nqt n GLY 497 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1nqt n VAL 498 N 0.00 0.00 -0.03 1.61 0.24 -1.26 -4.67 118.33 114.22 1nqt n VAL 498 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.30 1nqt n VAL 498 Cb 0.00 -0.17 -0.08 0.00 -1.47 0.00 0.00 33.84 32.12 1nqt n VAL 498 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1nqt n THR 499 N -2.95 0.38 -3.21 3.34 -1.04 -1.26 -4.34 114.28 105.20 1nqt n THR 499 Ca 0.00 -0.34 -0.26 0.00 -2.04 0.00 0.00 64.05 61.41 1nqt n THR 499 Cb 0.00 -0.31 -0.06 0.00 -1.82 0.00 0.00 70.33 68.14 1nqt n THR 499 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1nqt n PHE 500 N -2.15 3.25 0.58 -1.42 3.01 -1.26 -5.29 117.46 114.19 1nqt n PHE 500 Ca -0.10 -4.03 0.07 0.00 1.01 0.00 0.00 57.45 54.40 1nqt n PHE 500 Cb 0.58 -0.51 0.06 0.00 -0.01 0.00 0.00 39.48 39.60 1nqt n PHE 500 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40