#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4g n SER 3 N 0.00 -1.53 0.25 4.31 3.41 -1.26 -4.68 113.62 114.13 2q4g n SER 3 Ca 0.00 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.84 2q4g n SER 3 Cb 0.00 -1.22 0.63 0.00 -0.26 0.00 0.00 64.21 63.36 2q4g n SER 3 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 2q4g h ARG 4 N -2.08 0.00 -0.44 4.33 2.47 -1.96 -1.16 114.38 115.54 2q4g h ARG 4 Ca -0.51 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.07 2q4g h ARG 4 Cb 1.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.62 2q4g h ARG 4 CO 0.41 0.14 -0.29 0.00 0.56 0.00 0.00 179.97 180.80 2q4g h ALA 5 N 1.86 0.66 0.12 0.04 0.00 -1.85 0.48 119.26 120.56 2q4g h ALA 5 Ca -0.00 -0.42 -0.27 0.00 0.00 0.00 0.00 54.91 54.22 2q4g h ALA 5 Cb 0.52 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2q4g h ALA 5 CO 0.02 0.68 -1.23 0.87 0.00 0.00 0.00 179.25 179.58 2q4g h LYS 6 N 0.81 0.26 -0.27 0.00 1.79 -1.82 -3.01 116.57 114.32 2q4g h LYS 6 Ca 0.09 -0.44 -0.08 0.00 -2.18 0.00 0.00 60.65 58.04 2q4g h LYS 6 Cb 0.87 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 2q4g h LYS 6 CO 0.08 1.21 -0.18 -0.22 -1.08 0.00 0.00 179.45 179.25 2q4g h LYS 7 N 0.07 0.49 -0.76 3.15 3.64 -1.08 -0.81 116.57 121.27 2q4g h LYS 7 Ca -0.13 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 2q4g h LYS 7 Cb 1.96 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.70 2q4g h LYS 7 CO 0.20 0.65 0.36 0.35 -2.27 0.00 0.00 179.45 178.75 2q4g h PHE 8 N 0.44 1.10 -0.14 1.91 3.57 -0.02 -1.12 116.94 122.70 2q4g h PHE 8 Ca 0.07 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 2q4g h PHE 8 Cb 0.57 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2q4g h PHE 8 CO 0.02 0.81 0.01 1.96 -2.23 0.00 0.00 178.31 178.88 2q4g h GLN 9 N 1.08 0.24 -0.91 1.11 4.20 -1.26 -1.02 115.11 118.55 2q4g h GLN 9 Ca 0.26 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.94 2q4g h GLN 9 Cb 0.12 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 2q4g h GLN 9 CO -0.03 0.44 0.59 -0.09 -0.67 0.00 0.00 178.83 179.07 2q4g h ARG 10 N -0.00 1.10 0.00 1.46 2.43 -0.85 -2.53 114.38 115.98 2q4g h ARG 10 Ca 0.04 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2q4g h ARG 10 Cb 0.33 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2q4g h ARG 10 CO 0.00 0.73 -1.21 1.04 -1.51 0.00 0.00 179.97 179.02 2q4g n GLN 11 N -4.52 0.59 0.00 0.20 6.02 -0.45 -4.63 117.38 114.59 2q4g n GLN 11 Ca 0.12 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2q4g n GLN 11 Cb 0.10 -1.74 0.00 0.00 1.02 0.00 0.00 30.24 29.62 2q4g n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2q4g n HIS 12 N -2.53 0.00 -3.67 1.08 8.25 -0.39 -4.63 115.22 113.33 2q4g n HIS 12 Ca -0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2q4g n HIS 12 Cb 0.54 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.58 2q4g n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2q4g s MET 13 N -1.13 4.19 -0.35 -0.41 -1.94 -0.96 0.13 119.30 118.83 2q4g s MET 13 Ca 0.00 -0.11 0.14 0.00 -1.71 0.00 0.00 55.69 54.02 2q4g s MET 13 Cb 0.00 -3.41 0.41 0.00 2.01 0.00 0.00 34.83 33.84 2q4g s MET 13 CO 0.00 0.29 0.97 -0.25 -0.01 0.00 0.00 175.02 176.03 2q4g n ASP 14 N 3.48 0.51 -0.27 3.03 9.92 0.43 -4.83 116.55 128.83 2q4g n ASP 14 Ca -0.15 -2.82 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 2q4g n ASP 14 Cb 0.52 -0.14 0.07 0.00 -0.64 0.00 0.00 41.12 40.93 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 2q4g h SER 15 N 2.85 -0.92 -0.98 -2.24 0.02 -1.70 -2.43 113.55 108.13 2q4g h SER 15 Ca -0.08 0.25 -0.54 0.00 -0.84 0.00 0.00 61.79 60.58 2q4g h SER 15 Cb 1.14 0.55 -0.15 0.00 0.14 0.00 0.00 62.40 64.08 2q4g h SER 15 CO 0.39 -0.28 0.91 0.47 -1.14 0.00 0.00 176.83 177.18 2q4g n ASP 16 N -5.50 6.82 -3.99 3.07 8.00 -1.26 -4.36 116.55 119.33 2q4g n ASP 16 Ca 0.10 -3.12 -0.20 0.00 0.71 0.00 0.00 54.79 52.28 2q4g n ASP 16 Cb 0.39 -1.29 -0.15 0.00 -0.02 0.00 0.00 41.12 40.05 2q4g n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2q4g s SER 17 N 0.53 1.13 0.15 -2.24 0.01 -0.92 -5.12 113.70 107.24 2q4g s SER 17 Ca 0.59 -0.17 -0.31 0.00 1.31 0.00 0.00 55.95 57.36 2q4g s SER 17 Cb 0.32 -0.31 -0.10 0.00 0.21 0.00 0.00 66.02 66.14 2q4g s SER 17 CO -0.17 0.05 1.63 -0.55 0.41 0.00 0.00 173.24 174.62 2q4g s SER 18 N 0.23 6.54 0.61 2.44 0.15 -1.26 -4.87 113.70 117.54 2q4g s SER 18 Ca -0.03 2.64 0.28 0.00 0.70 0.00 0.00 55.95 59.54 2q4g s SER 18 Cb -0.08 -2.59 1.43 0.00 -1.71 0.00 0.00 66.02 63.07 2q4g s SER 18 CO 0.00 -0.88 1.84 -0.65 1.20 0.00 0.00 173.24 174.76 2q4g h PRO 19 N 7.25 0.00 -2.97 5.44 0.11 -1.97 -3.15 132.00 136.71 2q4g h PRO 19 Ca -0.43 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 64.93 2q4g h PRO 19 Cb 1.20 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.18 2q4g h PRO 19 CO 0.93 0.00 2.23 0.43 -0.21 0.00 0.00 178.00 181.38 2q4g n SER 20 N -3.51 6.85 -4.71 -2.05 7.64 -1.26 -4.60 113.62 111.98 2q4g n SER 20 Ca 0.07 -3.14 -0.43 0.00 1.01 0.00 0.00 58.87 56.39 2q4g n SER 20 Cb 0.68 -1.40 -0.03 0.00 -1.01 0.00 0.00 64.21 62.45 2q4g n SER 20 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2q4g n SER 21 N 2.55 3.84 -4.86 6.43 7.64 -1.19 -4.98 113.62 123.05 2q4g n SER 21 Ca 0.53 1.06 -0.29 0.00 1.01 0.00 0.00 58.87 61.17 2q4g n SER 21 Cb 0.29 -1.55 0.08 0.00 -1.01 0.00 0.00 64.21 62.03 2q4g n SER 21 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2q4g s SER 22 N 1.22 4.68 0.00 6.43 1.04 -1.26 -4.67 113.70 121.14 2q4g s SER 22 Ca 0.76 1.01 0.00 0.00 0.48 0.00 0.00 55.95 58.20 2q4g s SER 22 Cb -0.53 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2q4g s SER 22 CO 0.34 -1.82 0.85 -1.54 0.98 0.00 0.00 173.24 172.04 2q4g n SER 23 N -3.30 0.00 -0.46 7.02 3.41 -1.26 -1.61 113.62 117.42 2q4g n SER 23 Ca 0.07 0.35 0.05 0.00 -0.26 0.00 0.00 58.87 59.08 2q4g n SER 23 Cb 0.59 -0.35 0.08 0.00 -0.26 0.00 0.00 64.21 64.27 2q4g n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2q4g n THR 24 N -1.35 0.47 -0.03 6.66 -2.24 -1.26 -4.39 114.28 112.15 2q4g n THR 24 Ca 0.00 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 60.94 2q4g n THR 24 Cb 0.02 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 2q4g n THR 24 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2q4g h TYR 25 N 1.79 0.22 -0.23 4.78 3.20 -1.66 -2.95 116.97 122.12 2q4g h TYR 25 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2q4g h TYR 25 Cb 0.54 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2q4g h TYR 25 CO 0.09 0.15 0.09 0.00 -1.64 0.00 0.00 178.16 176.86 2q4g h ASN 27 N 0.22 0.48 0.74 0.00 2.35 -1.82 0.47 115.58 118.02 2q4g h ASN 27 Ca 0.08 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2q4g h ASN 27 Cb 0.17 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.44 2q4g h ASN 27 CO -0.01 0.32 -0.36 -0.61 -1.65 0.00 0.00 177.43 175.13 2q4g h GLN 28 N 0.55 -0.96 -0.12 0.81 4.15 -1.26 -3.25 115.11 115.04 2q4g h GLN 28 Ca 0.24 0.07 -0.19 0.00 0.77 0.00 0.00 58.65 59.53 2q4g h GLN 28 Cb 0.23 0.22 -0.00 0.00 0.21 0.00 0.00 27.48 28.14 2q4g h GLN 28 CO -0.07 -0.63 -0.70 0.52 -1.93 0.00 0.00 178.83 176.03 2q4g h MET 29 N -1.23 0.52 -0.71 1.69 2.86 -0.54 -0.84 114.93 116.69 2q4g h MET 29 Ca -0.10 -0.41 0.06 0.00 -2.06 0.00 0.00 59.70 57.19 2q4g h MET 29 Cb 0.77 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.47 2q4g h MET 29 CO 0.17 1.03 0.47 0.52 1.06 0.00 0.00 176.91 180.15 2q4g h MET 30 N 0.37 0.73 0.16 1.72 2.86 -0.21 0.88 114.93 121.45 2q4g h MET 30 Ca -0.03 -0.04 -0.30 0.00 -2.06 0.00 0.00 59.70 57.27 2q4g h MET 30 Cb 1.28 -0.17 0.01 0.00 0.06 0.00 0.00 31.60 32.79 2q4g h MET 30 CO 0.13 0.49 -1.48 0.00 1.06 0.00 0.00 176.91 177.11 2q4g h ARG 31 N 0.76 0.35 0.00 1.72 3.08 -1.58 -2.17 114.38 116.53 2q4g h ARG 31 Ca 0.30 -0.59 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2q4g h ARG 31 Cb 0.22 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.49 2q4g h ARG 31 CO -0.10 1.28 0.00 -2.13 -1.07 0.00 0.00 179.97 177.96 2q4g n ARG 32 N -3.80 0.10 -0.62 0.04 0.63 -0.32 -2.30 116.66 110.38 2q4g n ARG 32 Ca -0.23 0.38 0.01 0.00 -0.92 0.00 0.00 57.85 57.10 2q4g n ARG 32 Cb 0.98 -1.70 0.22 0.00 0.45 0.00 0.00 32.46 32.41 2q4g n ARG 32 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2q4g n ARG 33 N -1.88 2.25 -3.70 -0.14 5.12 0.30 -5.01 116.66 113.61 2q4g n ARG 33 Ca 0.02 -3.01 -0.25 0.00 -1.93 0.00 0.00 57.85 52.69 2q4g n ARG 33 Cb 0.17 -1.82 0.06 0.00 -1.16 0.00 0.00 32.46 29.71 2q4g n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2q4g n ASN 34 N -0.89 -4.61 -0.13 0.55 4.13 -0.97 -4.73 115.26 108.60 2q4g n ASN 34 Ca 0.28 -0.67 0.07 0.00 1.68 0.00 0.00 54.58 55.94 2q4g n ASN 34 Cb 0.97 -4.52 0.10 0.00 -1.54 0.00 0.00 39.78 34.78 2q4g n ASN 34 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 2q4g n MET 35 N -4.69 1.22 -2.16 3.52 2.81 -0.82 -4.72 117.12 112.28 2q4g n MET 35 Ca -0.06 -2.17 -0.11 0.00 -1.81 0.00 0.00 57.70 53.55 2q4g n MET 35 Cb 0.58 -1.27 0.05 0.00 -0.71 0.00 0.00 33.22 31.87 2q4g n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2q4g n THR 36 N -1.08 1.91 -5.05 2.03 -2.24 -1.25 -2.25 114.28 106.36 2q4g n THR 36 Ca 0.11 -3.49 -0.32 0.00 -2.27 0.00 0.00 64.05 58.08 2q4g n THR 36 Cb 0.61 -0.08 -0.15 0.00 -2.10 0.00 0.00 70.33 68.61 2q4g n THR 36 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2q4g s GLN 37 N -3.43 2.94 0.00 -0.78 -0.21 -1.26 -4.65 119.66 112.27 2q4g s GLN 37 Ca 0.40 -0.80 0.00 0.00 0.02 0.00 0.00 55.36 54.98 2q4g s GLN 37 Cb 0.37 -2.38 0.00 0.00 1.00 0.00 0.00 33.01 32.01 2q4g s GLN 37 CO -0.01 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.88 2q4g n GLY 38 N 3.19 1.80 3.41 3.09 0.00 -1.26 -4.84 105.19 110.58 2q4g n GLY 38 Ca -0.18 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.56 2q4g n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q4g s ARG 39 N 0.00 1.47 -0.32 1.61 1.81 -1.26 -5.05 118.95 117.21 2q4g s ARG 39 Ca 0.00 -1.50 -0.18 0.00 -1.72 0.00 0.00 55.73 52.34 2q4g s ARG 39 Cb 0.00 0.38 -0.01 0.00 -0.45 0.00 0.00 34.95 34.87 2q4g s ARG 39 CO 0.00 -0.57 0.50 0.00 -0.68 0.00 0.00 175.30 174.55 2q4g n LYS 41 N 5.64 2.78 0.25 0.00 0.00 -0.95 -4.90 118.16 120.98 2q4g n LYS 41 Ca -0.05 1.01 -0.14 0.00 0.00 0.00 0.00 58.31 59.12 2q4g n LYS 41 Cb 0.49 -2.87 -0.08 0.00 0.00 0.00 0.00 35.03 32.57 2q4g n LYS 41 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2q4g h PRO 42 N 7.44 -0.62 -3.04 1.64 0.13 -1.93 -3.40 132.00 132.21 2q4g h PRO 42 Ca -0.44 0.04 -0.20 0.00 -0.87 0.00 0.00 66.00 64.53 2q4g h PRO 42 Cb 1.21 0.14 -0.30 0.00 0.13 0.00 0.00 31.00 32.18 2q4g h PRO 42 CO 0.95 -0.32 -0.49 0.54 -0.23 0.00 0.00 178.00 178.46 2q4g s VAL 43 N -4.93 -0.04 0.01 1.56 0.11 -1.26 -0.58 120.40 115.28 2q4g s VAL 43 Ca -0.15 0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 59.02 2q4g s VAL 43 Cb 0.02 -0.37 -0.01 0.00 -1.53 0.00 0.00 36.38 34.49 2q4g s VAL 43 CO 0.52 0.06 0.04 0.21 -3.33 0.00 0.00 175.10 172.60 2q4g s ASN 44 N 1.21 0.14 -0.05 3.54 2.47 0.16 -4.98 114.94 117.42 2q4g s ASN 44 Ca -0.09 -0.36 0.04 0.00 0.42 0.00 0.00 52.86 52.87 2q4g s ASN 44 Cb -0.10 0.14 -0.00 0.00 -1.45 0.00 0.00 41.25 39.84 2q4g s ASN 44 CO -0.08 -0.32 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.91 2q4g s THR 45 N -1.39 1.52 -0.08 -5.21 2.01 -1.26 0.43 115.64 111.65 2q4g s THR 45 Ca -0.15 -0.75 -0.02 0.00 0.31 0.00 0.00 61.69 61.07 2q4g s THR 45 Cb -0.09 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.08 2q4g s THR 45 CO 0.00 0.44 0.02 -0.36 -0.69 0.00 0.00 174.62 174.03 2q4g s PHE 46 N 0.11 3.22 -0.19 4.92 0.08 -0.62 -4.41 117.98 121.09 2q4g s PHE 46 Ca -0.06 0.23 -0.06 0.00 0.12 0.00 0.00 56.93 57.16 2q4g s PHE 46 Cb -0.13 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.49 2q4g s PHE 46 CO 0.03 0.51 0.03 0.08 -0.10 0.00 0.00 175.22 175.77 2q4g s VAL 47 N -0.93 4.33 -1.01 -0.44 1.01 0.35 -1.11 120.40 122.60 2q4g s VAL 47 Ca 0.14 -0.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 2q4g s VAL 47 Cb -0.11 -2.96 0.30 0.00 0.00 0.00 0.00 36.38 33.61 2q4g s VAL 47 CO 0.03 0.43 1.36 1.41 0.00 0.00 0.00 175.10 178.34 2q4g n HIS 48 N 3.98 2.51 -3.91 5.22 -0.00 0.35 -0.43 115.22 122.95 2q4g n HIS 48 Ca -0.17 -2.85 -0.09 0.00 -0.00 0.00 0.00 57.72 54.62 2q4g n HIS 48 Cb 0.52 -1.15 -0.07 0.00 -0.00 0.00 0.00 29.99 29.28 2q4g n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2q4g s GLU 49 N -2.73 0.92 0.40 -0.41 0.41 -1.26 -4.27 118.70 111.76 2q4g s GLU 49 Ca 0.32 -1.05 -0.27 0.00 -0.41 0.00 0.00 54.97 53.57 2q4g s GLU 49 Cb 0.06 0.34 -0.10 0.00 -1.78 0.00 0.00 34.13 32.65 2q4g s GLU 49 CO 0.09 -0.30 1.41 -2.30 -0.49 0.00 0.00 175.26 173.66 2q4g n PRO 50 N -0.10 2.34 0.14 0.39 -0.02 -1.26 -4.11 135.00 132.39 2q4g n PRO 50 Ca -0.13 0.83 0.14 0.00 -2.02 0.00 0.00 63.50 62.32 2q4g n PRO 50 Cb 0.63 -2.56 0.66 0.00 -0.02 0.00 0.00 33.50 32.21 2q4g n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2q4g h LEU 51 N 2.55 0.00 -0.27 2.45 5.85 -1.98 -2.05 115.31 121.86 2q4g h LEU 51 Ca -0.50 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.03 2q4g h LEU 51 Cb 1.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 2q4g h LEU 51 CO 0.62 0.00 -0.88 1.62 -0.34 0.00 0.00 178.44 179.46 2q4g h VAL 52 N 0.00 1.57 -0.01 1.05 3.04 -1.99 -2.74 116.25 117.16 2q4g h VAL 52 Ca 0.11 -2.83 -0.13 0.00 -1.01 0.00 0.00 66.70 62.84 2q4g h VAL 52 Cb 0.46 2.56 -0.02 0.00 -2.01 0.00 0.00 31.29 32.28 2q4g h VAL 52 CO -0.00 0.81 -0.60 0.44 -1.01 0.00 0.00 177.57 177.21 2q4g h ASP 53 N 0.04 0.05 0.38 3.17 3.32 -1.75 -1.58 116.42 120.05 2q4g h ASP 53 Ca -0.03 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 2q4g h ASP 53 Cb 1.53 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 2q4g h ASP 53 CO 0.12 0.64 -0.81 0.58 -1.72 0.00 0.00 179.24 178.05 2q4g h VAL 54 N 0.03 1.42 -0.29 -1.35 2.07 -1.50 -3.16 116.25 113.46 2q4g h VAL 54 Ca -0.01 -2.34 -0.12 0.00 0.82 0.00 0.00 66.70 65.06 2q4g h VAL 54 Cb 1.07 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 2q4g h VAL 54 CO 0.08 0.69 -0.30 1.56 0.02 0.00 0.00 177.57 179.62 2q4g h GLN 55 N 0.21 0.62 0.00 1.57 4.20 -1.22 -2.92 115.11 117.56 2q4g h GLN 55 Ca -0.04 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 2q4g h GLN 55 Cb 1.41 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.17 2q4g h GLN 55 CO 0.13 0.85 -0.02 -0.91 -0.67 0.00 0.00 178.83 178.21 2q4g h ASN 56 N 0.53 0.00 -0.24 1.46 2.35 -1.26 -2.37 115.58 116.05 2q4g h ASN 56 Ca 0.06 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.88 2q4g h ASN 56 Cb 0.79 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 2q4g h ASN 56 CO 0.06 0.02 0.26 0.58 -1.65 0.00 0.00 177.43 176.71 2q4g h VAL 57 N 0.00 0.44 0.00 2.81 2.07 -1.51 0.44 116.25 120.50 2q4g h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2q4g h VAL 57 Cb 0.36 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 2q4g h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2q4g n PHE 59 N -1.79 0.27 -0.92 0.00 3.72 0.15 -5.01 117.46 113.89 2q4g n PHE 59 Ca 0.01 -0.54 0.00 0.00 -0.05 0.00 0.00 57.45 56.86 2q4g n PHE 59 Cb 0.07 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2q4g n PHE 59 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2q4g n GLN 60 N -0.05 3.92 -1.72 -1.08 6.02 0.14 -4.99 117.38 119.61 2q4g n GLN 60 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.64 2q4g n GLN 60 Cb 0.38 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.61 2q4g n GLN 60 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2q4g s GLU 61 N 4.03 3.61 0.23 -1.09 2.12 -1.14 -4.87 118.70 121.59 2q4g s GLU 61 Ca 0.00 2.17 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 2q4g s GLU 61 Cb 0.00 -4.24 -0.09 0.00 0.26 0.00 0.00 34.13 30.06 2q4g s GLU 61 CO 0.00 -1.56 1.20 0.21 -0.54 0.00 0.00 175.26 174.58 2q4g s LYS 62 N 5.38 4.50 0.20 4.30 2.20 -1.26 0.09 119.74 135.14 2q4g s LYS 62 Ca 0.91 1.93 -0.06 0.00 -0.36 0.00 0.00 55.97 58.39 2q4g s LYS 62 Cb -0.35 -3.19 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 2q4g s LYS 62 CO 0.36 -0.04 0.25 0.14 -0.36 0.00 0.00 175.35 175.70 2q4g s VAL 63 N -0.50 0.03 -0.03 4.02 -7.23 -0.33 -4.83 120.40 111.53 2q4g s VAL 63 Ca 0.50 -1.68 -0.23 0.00 -1.81 0.00 0.00 61.98 58.76 2q4g s VAL 63 Cb -0.34 -2.21 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2q4g s VAL 63 CO 0.40 -0.13 0.68 -0.89 -0.31 0.00 0.00 175.10 174.86 2q4g s THR 64 N -4.06 4.96 0.81 5.32 2.01 -1.26 -2.45 115.64 120.96 2q4g s THR 64 Ca 0.28 1.41 -0.11 0.00 0.31 0.00 0.00 61.69 63.57 2q4g s THR 64 Cb 0.04 -4.02 0.08 0.00 0.01 0.00 0.00 72.50 68.61 2q4g s THR 64 CO 0.07 0.32 1.09 0.00 -0.69 0.00 0.00 174.62 175.41 2q4g h LYS 66 N -1.24 0.12 -0.25 0.00 3.64 -1.92 0.75 116.57 117.67 2q4g h LYS 66 Ca -0.46 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2q4g h LYS 66 Cb 1.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2q4g h LYS 66 CO 0.54 0.08 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 2q4g n ASN 67 N -4.42 0.72 -0.93 4.20 6.94 -1.26 -4.86 115.26 115.65 2q4g n ASN 67 Ca 0.09 -2.02 -0.05 0.00 -0.02 0.00 0.00 54.58 52.58 2q4g n ASN 67 Cb 0.51 -0.15 0.01 0.00 -2.36 0.00 0.00 39.78 37.79 2q4g n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2q4g n GLY 68 N 0.55 0.45 2.69 4.83 0.00 0.26 -5.02 105.19 108.95 2q4g n GLY 68 Ca 0.03 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2q4g n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2q4g s GLN 69 N -4.88 1.39 0.00 1.61 -1.52 -1.23 -4.87 119.66 110.16 2q4g s GLN 69 Ca 0.08 -2.20 0.00 0.00 -1.95 0.00 0.00 55.36 51.29 2q4g s GLN 69 Cb -0.04 -2.36 0.00 0.00 -0.22 0.00 0.00 33.01 30.40 2q4g s GLN 69 CO 0.10 -1.21 0.12 0.41 -0.25 0.00 0.00 175.29 174.46 2q4g n GLY 70 N 3.24 0.00 0.68 3.09 0.00 -1.26 -2.02 105.19 108.92 2q4g n GLY 70 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2q4g n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2q4g n ASN 71 N -0.61 0.90 -4.90 1.61 6.94 -1.25 -3.66 115.26 114.29 2q4g n ASN 71 Ca 0.00 -1.04 -0.20 0.00 -0.02 0.00 0.00 54.58 53.31 2q4g n ASN 71 Cb 0.00 -0.26 -0.02 0.00 -2.36 0.00 0.00 39.78 37.13 2q4g n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2q4g s TYR 73 N -2.40 -0.27 -0.17 0.00 2.02 0.90 -1.19 117.35 116.25 2q4g s TYR 73 Ca 0.47 0.71 -0.19 0.00 -0.37 0.00 0.00 57.07 57.69 2q4g s TYR 73 Cb -0.05 -0.10 -0.03 0.00 -0.40 0.00 0.00 41.96 41.37 2q4g s TYR 73 CO 0.29 -0.26 0.52 0.21 -1.57 0.00 0.00 175.55 174.74 2q4g s LYS 74 N 1.86 4.25 0.59 -0.62 2.20 0.11 -2.09 119.74 126.04 2q4g s LYS 74 Ca -0.03 0.46 -0.17 0.00 -0.36 0.00 0.00 55.97 55.88 2q4g s LYS 74 Cb -0.12 -3.52 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 2q4g s LYS 74 CO -0.07 -0.05 1.09 -1.54 -0.36 0.00 0.00 175.35 174.42 2q4g s SER 75 N 0.97 5.62 0.15 1.43 1.04 -0.80 -2.87 113.70 119.25 2q4g s SER 75 Ca 0.26 1.99 -0.18 0.00 0.48 0.00 0.00 55.95 58.50 2q4g s SER 75 Cb -0.15 -2.56 0.05 0.00 0.10 0.00 0.00 66.02 63.46 2q4g s SER 75 CO 0.10 -1.28 1.69 0.78 0.98 0.00 0.00 173.24 175.51 2q4g h ASN 76 N 0.68 -0.27 -1.92 7.02 2.35 -1.94 -3.45 115.58 118.05 2q4g h ASN 76 Ca -0.48 0.09 -0.57 0.00 -0.55 0.00 0.00 56.30 54.80 2q4g h ASN 76 Cb 1.24 0.19 -0.09 0.00 0.05 0.00 0.00 38.32 39.70 2q4g h ASN 76 CO 0.56 -0.09 -0.59 -0.55 -1.65 0.00 0.00 177.43 175.11 2q4g s SER 77 N -5.22 4.39 0.61 5.81 0.15 -1.26 -5.10 113.70 113.08 2q4g s SER 77 Ca -0.14 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.48 2q4g s SER 77 Cb 0.13 -0.62 -0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2q4g s SER 77 CO 0.70 -0.25 1.06 -0.94 1.20 0.00 0.00 173.24 175.01 2q4g s SER 78 N -3.76 5.68 0.37 5.45 1.04 -1.26 -4.57 113.70 116.65 2q4g s SER 78 Ca 0.36 1.79 0.03 0.00 0.48 0.00 0.00 55.95 58.62 2q4g s SER 78 Cb -0.01 -2.53 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2q4g s SER 78 CO 0.21 -1.23 0.09 -0.04 0.98 0.00 0.00 173.24 173.24 2q4g s MET 79 N -4.22 1.79 -0.31 4.02 -1.94 0.10 -4.85 119.30 113.88 2q4g s MET 79 Ca 0.63 -2.05 -0.22 0.00 -1.71 0.00 0.00 55.69 52.34 2q4g s MET 79 Cb -0.16 -0.75 -0.00 0.00 2.01 0.00 0.00 34.83 35.93 2q4g s MET 79 CO 0.40 -0.33 0.73 -1.01 -0.01 0.00 0.00 175.02 174.80 2q4g s HIS 80 N -3.27 3.20 0.15 -0.03 3.76 -1.26 -2.02 115.29 115.81 2q4g s HIS 80 Ca 0.30 0.71 0.01 0.00 -0.15 0.00 0.00 55.06 55.92 2q4g s HIS 80 Cb 0.06 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.55 2q4g s HIS 80 CO 0.14 -0.55 0.00 0.96 -0.85 0.00 0.00 174.74 174.44 2q4g s ILE 81 N 2.85 0.53 -0.06 0.60 -4.36 -0.25 0.13 121.20 120.64 2q4g s ILE 81 Ca 0.30 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 58.72 2q4g s ILE 81 Cb -0.14 -2.00 0.03 0.00 1.25 0.00 0.00 42.46 41.59 2q4g s ILE 81 CO 0.13 -0.56 0.01 -0.89 0.24 0.00 0.00 174.94 173.86 2q4g s THR 82 N -3.75 0.29 0.51 8.37 2.01 -0.26 -0.99 115.64 121.81 2q4g s THR 82 Ca 0.21 0.17 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 2q4g s THR 82 Cb 0.06 -0.46 -0.08 0.00 0.01 0.00 0.00 72.50 72.03 2q4g s THR 82 CO 0.01 0.24 0.97 -1.81 -0.69 0.00 0.00 174.62 173.34 2q4g s ASP 83 N 1.96 6.62 -0.08 3.53 1.01 0.17 -1.59 116.67 128.29 2q4g s ASP 83 Ca 0.04 1.53 -0.03 0.00 0.71 0.00 0.00 52.55 54.81 2q4g s ASP 83 Cb -0.12 -2.49 0.04 0.00 1.01 0.00 0.00 42.92 41.35 2q4g s ASP 83 CO -0.05 -0.57 0.07 0.00 0.21 0.00 0.00 175.17 174.83 2q4g s ARG 85 N 2.15 1.09 0.37 0.00 3.52 -1.07 0.36 118.95 125.38 2q4g s ARG 85 Ca 0.04 -0.15 -0.28 0.00 -0.13 0.00 0.00 55.73 55.21 2q4g s ARG 85 Cb -0.13 -1.12 -0.11 0.00 -1.56 0.00 0.00 34.95 32.03 2q4g s ARG 85 CO -0.05 -0.14 1.49 -1.17 -0.81 0.00 0.00 175.30 174.62 2q4g s LEU 86 N 1.22 4.32 0.82 -0.88 2.96 0.26 -1.21 118.68 126.16 2q4g s LEU 86 Ca -0.06 3.05 -0.11 0.00 -0.22 0.00 0.00 54.13 56.79 2q4g s LEU 86 Cb -0.14 -3.67 0.08 0.00 0.50 0.00 0.00 46.19 42.97 2q4g s LEU 86 CO -0.02 -0.88 1.09 0.42 -1.32 0.00 0.00 176.35 175.65 2q4g s THR 87 N -1.08 3.05 -2.00 3.68 -4.23 -0.76 -4.88 115.64 109.42 2q4g s THR 87 Ca 0.53 0.34 0.27 0.00 -1.18 0.00 0.00 61.69 61.65 2q4g s THR 87 Cb -0.47 -2.96 0.76 0.00 1.34 0.00 0.00 72.50 71.17 2q4g s THR 87 CO 0.63 -0.45 2.00 0.59 -0.54 0.00 0.00 174.62 176.85 2q4g n ASN 88 N -3.57 0.00 -0.00 3.99 3.02 -1.26 -3.08 115.26 114.36 2q4g n ASN 88 Ca 0.07 -1.06 0.07 0.00 -0.03 0.00 0.00 54.58 53.64 2q4g n ASN 88 Cb 0.55 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 2q4g n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4g n GLY 89 N 0.84 -0.52 3.73 7.41 0.00 -1.26 -5.03 105.19 110.36 2q4g n GLY 89 Ca 0.20 -0.40 -0.40 0.00 0.00 0.00 0.00 46.02 45.42 2q4g n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q4g n SER 90 N -1.61 2.77 -3.65 1.61 7.64 -1.18 -5.03 113.62 114.17 2q4g n SER 90 Ca 0.01 1.08 -0.10 0.00 1.01 0.00 0.00 58.87 60.87 2q4g n SER 90 Cb 0.30 -1.55 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 2q4g n SER 90 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2q4g s ARG 91 N -2.43 0.28 0.26 1.43 3.52 -0.99 -5.03 118.95 115.99 2q4g s ARG 91 Ca 0.63 0.97 -0.28 0.00 -0.13 0.00 0.00 55.73 56.92 2q4g s ARG 91 Cb -0.47 0.24 -0.15 0.00 -1.56 0.00 0.00 34.95 33.02 2q4g s ARG 91 CO 0.56 -0.26 0.90 0.98 -0.81 0.00 0.00 175.30 176.66 2q4g n TYR 92 N 5.38 0.83 0.82 5.12 9.36 -1.26 -0.65 117.16 136.75 2q4g n TYR 92 Ca -0.08 0.77 0.04 0.00 3.32 0.00 0.00 57.90 61.95 2q4g n TYR 92 Cb 0.49 -2.18 0.13 0.00 -0.63 0.00 0.00 39.34 37.16 2q4g n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2q4g n PRO 93 N 0.86 1.94 -3.32 2.98 -0.04 -1.26 -5.03 135.00 131.13 2q4g n PRO 93 Ca 0.12 -1.05 -0.47 0.00 -0.04 0.00 0.00 63.50 62.06 2q4g n PRO 93 Cb 0.30 -1.43 -0.02 0.00 -0.04 0.00 0.00 33.50 32.30 2q4g n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2q4g s ASN 94 N -0.73 6.67 -0.48 3.54 0.01 0.17 -5.00 114.94 119.14 2q4g s ASN 94 Ca 0.19 -2.54 -0.11 0.00 -0.71 0.00 0.00 52.86 49.69 2q4g s ASN 94 Cb 0.12 -2.21 0.11 0.00 0.41 0.00 0.00 41.25 39.68 2q4g s ASN 94 CO 0.10 -0.63 0.37 0.00 -1.51 0.00 0.00 177.10 175.43 2q4g s ALA 96 N 1.44 3.72 0.08 0.00 0.00 -1.26 -4.89 121.76 120.84 2q4g s ALA 96 Ca 0.05 -0.40 0.06 0.00 0.00 0.00 0.00 51.96 51.67 2q4g s ALA 96 Cb -0.26 -2.26 -0.03 0.00 0.00 0.00 0.00 23.12 20.56 2q4g s ALA 96 CO 0.01 0.58 -0.17 0.71 0.00 0.00 0.00 175.76 176.89 2q4g s TYR 97 N -1.48 1.44 -0.26 0.00 1.51 -1.26 -1.83 117.35 115.46 2q4g s TYR 97 Ca 0.36 -0.43 -0.14 0.00 -1.01 0.00 0.00 57.07 55.84 2q4g s TYR 97 Cb -0.13 -0.81 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 2q4g s TYR 97 CO 0.20 0.11 0.35 0.50 -1.11 0.00 0.00 175.55 175.59 2q4g s ARG 98 N -1.70 4.03 -0.33 -0.62 3.52 -0.35 -4.66 118.95 118.84 2q4g s ARG 98 Ca 0.02 0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.44 2q4g s ARG 98 Cb -0.10 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.64 2q4g s ARG 98 CO 0.03 -0.23 0.53 0.99 -0.81 0.00 0.00 175.30 175.80 2q4g s THR 99 N 1.93 5.01 -0.31 4.11 2.01 -1.26 -2.58 115.64 124.55 2q4g s THR 99 Ca 0.14 0.51 0.02 0.00 0.31 0.00 0.00 61.69 62.67 2q4g s THR 99 Cb -0.16 -3.94 0.09 0.00 0.01 0.00 0.00 72.50 68.50 2q4g s THR 99 CO 0.10 -0.15 0.04 -0.44 -0.69 0.00 0.00 174.62 173.47 2q4g s SER 100 N 1.71 4.44 0.28 3.53 0.01 -0.53 -4.75 113.70 118.39 2q4g s SER 100 Ca 0.20 -1.85 -0.22 0.00 1.31 0.00 0.00 55.95 55.39 2q4g s SER 100 Cb -0.15 -1.37 -0.09 0.00 0.21 0.00 0.00 66.02 64.61 2q4g s SER 100 CO 0.12 -0.36 0.83 -2.16 0.41 0.00 0.00 173.24 172.08 2q4g s PRO 101 N 1.16 4.37 0.09 12.44 0.04 -1.26 0.46 135.00 152.29 2q4g s PRO 101 Ca 0.07 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.90 2q4g s PRO 101 Cb -0.19 -2.78 0.09 0.00 0.04 0.00 0.00 34.50 31.66 2q4g s PRO 101 CO -0.12 0.31 1.11 -1.59 0.04 0.00 0.00 177.00 176.75 2q4g s LYS 102 N -2.14 0.87 -0.22 4.56 -2.85 -0.16 -4.95 119.74 114.85 2q4g s LYS 102 Ca 0.48 -0.50 0.01 0.00 -1.00 0.00 0.00 55.97 54.95 2q4g s LYS 102 Cb -0.17 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 35.92 2q4g s LYS 102 CO 0.21 -0.40 -0.14 -1.21 0.10 0.00 0.00 175.35 173.92 2q4g s GLU 103 N -2.72 2.73 0.12 1.78 2.02 -1.26 -1.09 118.70 120.29 2q4g s GLU 103 Ca 0.16 -1.02 -0.07 0.00 0.02 0.00 0.00 54.97 54.06 2q4g s GLU 103 Cb 0.01 -2.77 -0.01 0.00 0.10 0.00 0.00 34.13 31.45 2q4g s GLU 103 CO 0.00 -0.36 0.19 1.03 0.02 0.00 0.00 175.26 176.13 2q4g s ARG 104 N 1.24 0.96 0.54 1.61 1.81 -0.86 -4.80 118.95 119.46 2q4g s ARG 104 Ca -0.00 -1.15 -0.17 0.00 -1.72 0.00 0.00 55.73 52.69 2q4g s ARG 104 Cb -0.16 0.33 -0.07 0.00 -0.45 0.00 0.00 34.95 34.60 2q4g s ARG 104 CO -0.08 -0.31 1.01 -1.01 -0.68 0.00 0.00 175.30 174.22 2q4g s HIS 105 N -3.94 3.24 0.19 -0.53 3.76 -0.17 0.02 115.29 117.86 2q4g s HIS 105 Ca 0.13 1.50 0.10 0.00 -0.15 0.00 0.00 55.06 56.64 2q4g s HIS 105 Cb 0.05 -2.89 -0.04 0.00 1.11 0.00 0.00 32.58 30.80 2q4g s HIS 105 CO -0.04 -0.66 -0.15 0.96 -0.85 0.00 0.00 174.74 174.00 2q4g s ILE 106 N -2.49 2.88 -0.18 0.60 -4.36 -1.26 -0.88 121.20 115.50 2q4g s ILE 106 Ca 0.61 -1.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.20 2q4g s ILE 106 Cb -0.13 -2.41 0.04 0.00 1.25 0.00 0.00 42.46 41.21 2q4g s ILE 106 CO 0.31 -0.12 -0.08 -0.63 0.24 0.00 0.00 174.94 174.67 2q4g s ILE 107 N -1.71 1.37 0.21 8.37 1.01 -0.42 -1.90 121.20 128.13 2q4g s ILE 107 Ca 0.24 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 60.18 2q4g s ILE 107 Cb -0.08 -1.50 -0.05 0.00 0.01 0.00 0.00 42.46 40.84 2q4g s ILE 107 CO 0.13 0.14 -0.20 0.68 0.00 0.00 0.00 174.94 175.69 2q4g s VAL 108 N 1.52 2.53 -0.03 2.92 -7.23 -0.89 -0.29 120.40 118.93 2q4g s VAL 108 Ca -0.00 -2.07 -0.03 0.00 -1.81 0.00 0.00 61.98 58.07 2q4g s VAL 108 Cb -0.16 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 2q4g s VAL 108 CO -0.08 -0.19 0.13 0.00 -0.31 0.00 0.00 175.10 174.65 2q4g s ALA 109 N -1.90 3.80 0.08 1.32 0.00 0.20 -0.07 121.76 125.19 2q4g s ALA 109 Ca 0.24 -0.77 0.06 0.00 0.00 0.00 0.00 51.96 51.49 2q4g s ALA 109 Cb -0.07 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.23 2q4g s ALA 109 CO 0.12 0.70 -0.17 0.00 0.00 0.00 0.00 175.76 176.41 2q4g s GLU 111 N -1.83 1.01 0.00 0.00 2.12 -0.59 -4.91 118.70 114.51 2q4g s GLU 111 Ca 0.02 -0.25 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2q4g s GLU 111 Cb -0.10 0.47 0.00 0.00 0.26 0.00 0.00 34.13 34.76 2q4g s GLU 111 CO 0.03 -0.42 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2q4g n GLY 112 N -0.04 -2.63 2.78 -1.50 0.00 -1.26 -2.42 105.19 100.11 2q4g n GLY 112 Ca -0.14 -2.12 -0.16 0.00 0.00 0.00 0.00 46.02 43.60 2q4g n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2q4g s SER 113 N -1.93 1.40 0.68 1.61 0.15 -1.26 -2.81 113.70 111.55 2q4g s SER 113 Ca 0.00 -0.46 -0.17 0.00 0.70 0.00 0.00 55.95 56.02 2q4g s SER 113 Cb 0.00 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2q4g s SER 113 CO 0.00 -0.36 1.26 -2.16 1.20 0.00 0.00 173.24 173.18 2q4g s PRO 114 N 2.37 2.39 -0.53 5.44 0.04 -1.26 -5.08 135.00 138.37 2q4g s PRO 114 Ca 0.09 1.95 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2q4g s PRO 114 Cb -0.15 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.55 2q4g s PRO 114 CO -0.24 -1.69 1.58 -0.47 0.04 0.00 0.00 177.00 176.21 2q4g s TYR 115 N -1.62 2.07 0.23 0.56 6.04 -1.12 -4.90 117.35 118.60 2q4g s TYR 115 Ca 0.79 0.57 0.05 0.00 0.04 0.00 0.00 57.07 58.53 2q4g s TYR 115 Cb -0.34 -4.28 -0.05 0.00 -1.04 0.00 0.00 41.96 36.25 2q4g s TYR 115 CO 0.42 -2.22 -0.04 0.14 -1.54 0.00 0.00 175.55 172.31 2q4g s VAL 116 N 6.84 1.28 0.26 3.14 -7.23 -1.02 -4.85 120.40 118.83 2q4g s VAL 116 Ca 0.61 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.40 2q4g s VAL 116 Cb -0.13 -2.29 -0.10 0.00 0.56 0.00 0.00 36.38 34.41 2q4g s VAL 116 CO 0.26 -0.39 1.46 -2.84 -0.31 0.00 0.00 175.10 173.28 2q4g s PRO 117 N -3.79 4.25 -0.02 4.82 0.02 -1.26 -1.54 135.00 137.48 2q4g s PRO 117 Ca 0.27 2.33 0.03 0.00 0.02 0.00 0.00 61.00 63.65 2q4g s PRO 117 Cb 0.04 -3.10 0.05 0.00 0.02 0.00 0.00 34.50 31.51 2q4g s PRO 117 CO 0.08 -0.44 0.93 1.33 -0.33 0.00 0.00 177.00 178.57 2q4g n VAL 118 N 2.28 0.37 -3.65 3.83 0.24 0.25 -4.38 118.33 117.27 2q4g n VAL 118 Ca 0.07 -0.43 -0.02 0.00 -2.04 0.00 0.00 64.34 61.92 2q4g n VAL 118 Cb 0.40 0.48 -0.07 0.00 -1.47 0.00 0.00 33.84 33.18 2q4g n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2q4g s HIS 119 N -0.53 -0.10 -0.39 6.34 5.65 -1.21 -4.74 115.29 120.31 2q4g s HIS 119 Ca 0.05 0.23 -0.11 0.00 0.25 0.00 0.00 55.06 55.48 2q4g s HIS 119 Cb 0.05 0.38 0.04 0.00 -1.18 0.00 0.00 32.58 31.87 2q4g s HIS 119 CO 0.00 -0.05 0.23 0.12 -0.65 0.00 0.00 174.74 174.40 2q4g s PHE 120 N 0.28 3.26 0.06 3.88 5.36 -1.26 -0.63 117.98 128.93 2q4g s PHE 120 Ca 0.04 -1.05 -0.17 0.00 -0.96 0.00 0.00 56.93 54.78 2q4g s PHE 120 Cb -0.04 -2.57 -0.15 0.00 -0.34 0.00 0.00 43.02 39.92 2q4g s PHE 120 CO -0.14 -0.69 1.29 0.22 -1.46 0.00 0.00 175.22 174.44 2q4g h ASP 121 N 8.45 0.64 -0.97 6.13 -0.00 -0.99 -3.49 116.42 126.20 2q4g h ASP 121 Ca -0.25 -0.58 0.00 0.00 -0.00 0.00 0.00 57.03 56.19 2q4g h ASP 121 Cb 1.10 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 40.25 2q4g h ASP 121 CO 0.70 1.11 0.00 0.00 -0.00 0.00 0.00 179.24 181.04 2q4g n ALA 122 N -2.52 0.00 -2.37 -0.78 0.00 -1.16 -4.93 120.51 108.75 2q4g n ALA 122 Ca -0.07 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.15 2q4g n ALA 122 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.95 2q4g n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2q4g s SER 123 N 0.00 4.88 0.01 0.00 1.04 -1.26 -1.30 113.70 117.07 2q4g s SER 123 Ca 0.00 -0.78 0.01 0.00 0.48 0.00 0.00 55.95 55.65 2q4g s SER 123 Cb 0.00 -0.64 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 2q4g s SER 123 CO 0.00 -0.52 -0.03 -0.69 0.98 0.00 0.00 173.24 172.98 2q4g s VAL 124 N -2.47 0.24 -0.47 5.02 1.01 -0.06 -4.97 120.40 118.70 2q4g s VAL 124 Ca 0.44 -0.38 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 2q4g s VAL 124 Cb -0.02 -0.25 0.12 0.00 0.00 0.00 0.00 36.38 36.23 2q4g s VAL 124 CO 0.26 -0.10 0.30 -0.70 0.00 0.00 0.00 175.10 174.86 2q4g s GLU 125 N -0.50 2.26 -0.11 2.72 2.12 -1.26 -1.00 118.70 122.93 2q4g s GLU 125 Ca -0.03 -1.96 0.15 0.00 0.36 0.00 0.00 54.97 53.50 2q4g s GLU 125 Cb -0.04 -3.72 0.24 0.00 0.26 0.00 0.00 34.13 30.87 2q4g s GLU 125 CO -0.00 -1.13 1.12 -0.40 -0.54 0.00 0.00 175.26 174.31 2q4g n ASP 126 N 4.45 2.27 0.00 -1.70 3.85 -1.26 -5.08 116.55 119.07 2q4g n ASP 126 Ca -0.01 -2.88 0.00 0.00 -0.71 0.00 0.00 54.79 51.18 2q4g n ASP 126 Cb 0.41 -0.35 0.00 0.00 -1.35 0.00 0.00 41.12 39.83 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65