#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4g s SER 3 N 0.00 5.60 0.00 4.31 1.04 -1.26 -4.87 113.70 118.51 2q4g s SER 3 Ca 0.00 2.08 0.12 0.00 0.48 0.00 0.00 55.95 58.63 2q4g s SER 3 Cb 0.00 -2.57 0.57 0.00 0.10 0.00 0.00 66.02 64.12 2q4g s SER 3 CO 0.00 -1.30 1.30 0.54 0.98 0.00 0.00 173.24 174.76 2q4g n ARG 4 N -1.65 0.12 -0.00 4.02 5.12 -1.26 -2.61 116.66 120.40 2q4g n ARG 4 Ca 0.11 0.21 -0.21 0.00 -1.93 0.00 0.00 57.85 56.02 2q4g n ARG 4 Cb 0.51 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 30.18 2q4g n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2q4g n ALA 5 N -1.34 0.88 -0.15 7.54 0.00 -1.26 -3.60 120.51 122.59 2q4g n ALA 5 Ca 0.05 -0.59 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2q4g n ALA 5 Cb 0.10 -0.67 0.01 0.00 0.00 0.00 0.00 19.45 18.90 2q4g n ALA 5 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2q4g h LYS 6 N 0.02 0.97 -0.86 0.00 1.79 -1.86 -2.46 116.57 114.17 2q4g h LYS 6 Ca -0.42 -0.42 0.17 0.00 -2.18 0.00 0.00 60.65 57.80 2q4g h LYS 6 Cb 2.00 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 32.56 2q4g h LYS 6 CO 0.07 1.08 0.57 -0.22 -1.08 0.00 0.00 179.45 179.87 2q4g h LYS 7 N 0.83 0.50 -0.59 3.15 3.64 -1.67 0.18 116.57 122.62 2q4g h LYS 7 Ca 0.11 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2q4g h LYS 7 Cb 0.80 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 2q4g h LYS 7 CO 0.07 0.33 0.38 0.35 -2.27 0.00 0.00 179.45 178.31 2q4g h PHE 8 N 0.52 0.74 -0.48 1.91 3.57 -1.50 0.31 116.94 122.01 2q4g h PHE 8 Ca 0.44 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 2q4g h PHE 8 Cb 0.92 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 2q4g h PHE 8 CO -0.00 0.48 0.13 1.96 -2.23 0.00 0.00 178.31 178.65 2q4g h GLN 9 N 0.79 0.76 0.12 1.11 4.20 -0.69 -0.56 115.11 120.84 2q4g h GLN 9 Ca 0.21 -0.17 -0.00 0.00 0.06 0.00 0.00 58.65 58.75 2q4g h GLN 9 Cb -0.08 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 2q4g h GLN 9 CO -0.04 0.73 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.68 2q4g h ARG 10 N 0.65 -0.18 -0.00 1.46 2.43 -0.30 -2.92 114.38 115.52 2q4g h ARG 10 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2q4g h ARG 10 Cb 0.30 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2q4g h ARG 10 CO -0.00 -0.12 -0.12 1.04 -1.51 0.00 0.00 179.97 179.26 2q4g n GLN 11 N -5.18 0.55 0.00 0.20 6.02 1.00 -4.78 117.38 115.19 2q4g n GLN 11 Ca -0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2q4g n GLN 11 Cb 0.11 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.08 0.00 -1.59 1.08 8.25 -0.22 -4.46 115.22 117.21 2q4g n HIS 12 Ca 0.13 0.00 -0.64 0.00 -0.26 0.00 0.00 57.72 56.95 2q4g n HIS 12 Cb 0.28 0.22 -0.10 0.00 1.12 0.00 0.00 29.99 31.51 2q4g n HIS 12 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2q4g n MET 13 N -1.91 0.15 -3.28 -0.41 2.81 -1.11 -2.14 117.12 111.22 2q4g n MET 13 Ca 0.00 0.05 -0.25 0.00 -1.81 0.00 0.00 57.70 55.69 2q4g n MET 13 Cb 0.00 -1.59 -0.08 0.00 -0.71 0.00 0.00 33.22 30.84 2q4g n MET 13 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2q4g n ASP 14 N 5.37 0.23 0.22 7.83 2.03 0.24 -4.81 116.55 127.65 2q4g n ASP 14 Ca 0.38 -2.65 -0.13 0.00 0.52 0.00 0.00 54.79 52.91 2q4g n ASP 14 Cb -0.03 -0.62 -0.07 0.00 -0.72 0.00 0.00 41.12 39.68 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2q4g h SER 15 N 4.55 -0.48 -0.87 1.67 0.02 -1.80 -3.34 113.55 113.29 2q4g h SER 15 Ca 0.14 -0.11 0.11 0.00 -0.84 0.00 0.00 61.79 61.10 2q4g h SER 15 Cb 0.87 0.13 -0.13 0.00 0.14 0.00 0.00 62.40 63.41 2q4g h SER 15 CO 0.46 -0.11 -0.47 0.44 -1.14 0.00 0.00 176.83 176.01 2q4g h ASP 16 N -0.91 -1.69 -3.55 3.07 3.32 -1.94 -3.43 116.42 111.28 2q4g h ASP 16 Ca -0.06 0.30 -0.56 0.00 0.02 0.00 0.00 57.03 56.73 2q4g h ASP 16 Cb 0.56 0.80 0.17 0.00 0.22 0.00 0.00 39.33 41.09 2q4g h ASP 16 CO 0.10 -0.28 0.00 -1.20 -1.72 0.00 0.00 179.24 176.13 2q4g n SER 17 N -5.38 0.23 -4.81 6.45 7.64 -1.26 -4.99 113.62 111.50 2q4g n SER 17 Ca 0.05 0.72 -0.33 0.00 1.01 0.00 0.00 58.87 60.31 2q4g n SER 17 Cb 0.34 -1.35 -0.05 0.00 -1.01 0.00 0.00 64.21 62.14 2q4g n SER 17 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2q4g s SER 18 N -1.42 6.59 0.52 6.43 0.15 -1.26 -4.93 113.70 119.78 2q4g s SER 18 Ca 0.73 1.78 0.29 0.00 0.70 0.00 0.00 55.95 59.45 2q4g s SER 18 Cb -0.38 -2.54 1.58 0.00 -1.71 0.00 0.00 66.02 62.96 2q4g s SER 18 CO 0.50 -0.61 1.87 -0.65 1.20 0.00 0.00 173.24 175.55 2q4g h PRO 19 N 1.56 0.00 -3.00 5.44 0.11 -1.94 -3.25 132.00 130.91 2q4g h PRO 19 Ca -0.49 0.00 -0.79 0.00 0.11 0.00 0.00 66.00 64.83 2q4g h PRO 19 Cb 1.20 0.00 -0.24 0.00 0.11 0.00 0.00 31.00 32.07 2q4g h PRO 19 CO 0.60 0.00 1.18 0.43 -0.21 0.00 0.00 178.00 180.00 2q4g n SER 20 N -2.63 6.22 -4.50 -2.05 7.64 -1.26 -4.62 113.62 112.41 2q4g n SER 20 Ca -0.02 -3.35 -0.36 0.00 1.01 0.00 0.00 58.87 56.14 2q4g n SER 20 Cb 0.20 -1.32 0.07 0.00 -1.01 0.00 0.00 64.21 62.15 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 1.86 -0.74 -2.40 6.43 7.64 -1.23 -5.02 113.62 120.16 2q4g n SER 21 Ca 0.32 0.64 0.00 0.00 1.01 0.00 0.00 58.87 60.84 2q4g n SER 21 Cb 0.33 -1.25 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 2q4g n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2q4g n SER 22 N -0.45 0.00 -0.01 6.43 3.41 -1.26 -4.96 113.62 116.77 2q4g n SER 22 Ca 0.11 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.83 2q4g n SER 22 Cb 0.49 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.28 2q4g n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q4g n SER 23 N 0.00 0.24 -0.74 4.04 3.41 -1.26 -4.23 113.62 115.08 2q4g n SER 23 Ca 0.00 -0.18 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 2q4g n SER 23 Cb 0.00 1.81 0.06 0.00 -0.26 0.00 0.00 64.21 65.82 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 -2.11 0.00 -0.34 6.66 -2.24 -1.26 -4.59 114.28 110.39 2q4g n THR 24 Ca -0.03 -0.44 0.22 0.00 -2.27 0.00 0.00 64.05 61.54 2q4g n THR 24 Cb 0.52 1.39 0.47 0.00 -2.10 0.00 0.00 70.33 70.60 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 3.65 0.83 0.13 4.78 3.20 -1.96 -2.61 116.97 125.00 2q4g h TYR 25 Ca 0.00 0.03 -0.32 0.00 3.14 0.00 0.00 58.73 61.58 2q4g h TYR 25 Cb 0.84 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2q4g h TYR 25 CO 0.00 0.00 -1.61 0.00 -1.64 0.00 0.00 178.16 174.91 2q4g h ASN 27 N 0.07 0.72 0.22 0.00 2.35 -1.79 0.32 115.58 117.47 2q4g h ASN 27 Ca -0.28 -0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.43 2q4g h ASN 27 Cb 2.04 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 40.23 2q4g h ASN 27 CO 0.16 0.55 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.78 2q4g h GLN 28 N 0.84 -0.28 -0.39 0.81 4.15 -1.62 -3.02 115.11 115.59 2q4g h GLN 28 Ca 0.22 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.72 2q4g h GLN 28 Cb -0.04 0.06 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 2q4g h GLN 28 CO -0.04 -0.19 0.08 0.52 -1.93 0.00 0.00 178.83 177.27 2q4g h MET 29 N -0.63 0.20 0.00 1.69 2.86 -1.45 0.74 114.93 118.33 2q4g h MET 29 Ca -0.03 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 2q4g h MET 29 Cb 0.22 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2q4g h MET 29 CO 0.05 0.13 -0.12 0.52 1.06 0.00 0.00 176.91 178.55 2q4g h MET 30 N 0.20 0.00 0.05 1.72 2.86 -1.09 -0.58 114.93 118.08 2q4g h MET 30 Ca 0.19 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.76 2q4g h MET 30 Cb 0.22 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 2q4g h MET 30 CO -0.25 0.12 -0.29 -0.09 1.06 0.00 0.00 176.91 177.46 2q4g h ARG 31 N 0.00 0.11 -0.43 1.72 2.43 -1.04 -0.55 114.38 116.62 2q4g h ARG 31 Ca -0.00 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 2q4g h ARG 31 Cb 0.21 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 2q4g h ARG 31 CO 0.02 1.07 0.28 0.00 -1.51 0.00 0.00 179.97 179.82 2q4g h ARG 32 N -0.75 0.56 -0.56 0.20 3.08 0.70 -2.34 114.38 115.28 2q4g h ARG 32 Ca -0.05 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2q4g h ARG 32 Cb 1.20 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2q4g h ARG 32 CO 0.05 0.37 0.00 0.54 -1.07 0.00 0.00 179.97 179.86 2q4g n ARG 33 N -4.47 2.46 -2.87 0.04 5.12 -0.25 -4.93 116.66 111.77 2q4g n ARG 33 Ca 0.03 -1.61 -0.16 0.00 -1.93 0.00 0.00 57.85 54.17 2q4g n ARG 33 Cb 0.06 -1.57 0.03 0.00 -1.16 0.00 0.00 32.46 29.82 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 0.58 -4.93 -2.83 0.55 3.02 -0.88 -4.78 115.26 105.98 2q4g n ASN 34 Ca 0.15 -0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.11 2q4g n ASN 34 Cb 0.53 -3.76 0.02 0.00 -0.61 0.00 0.00 39.78 35.96 2q4g n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2q4g n MET 35 N -3.21 3.19 0.00 3.52 2.81 -0.22 -4.25 117.12 118.97 2q4g n MET 35 Ca -0.07 -3.99 0.00 0.00 -1.81 0.00 0.00 57.70 51.83 2q4g n MET 35 Cb 0.58 -2.28 0.00 0.00 -0.71 0.00 0.00 33.22 30.82 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 -0.47 0.00 -2.37 2.03 -2.24 -1.26 -3.43 114.28 106.54 2q4g n THR 36 Ca 0.48 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.84 2q4g n THR 36 Cb 0.38 0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 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 0.00 4.47 0.00 -0.78 -0.21 -1.26 -3.86 119.66 118.02 2q4g s GLN 37 Ca 0.00 1.87 0.00 0.00 0.02 0.00 0.00 55.36 57.25 2q4g s GLN 37 Cb 0.00 -3.26 0.00 0.00 1.00 0.00 0.00 33.01 30.75 2q4g s GLN 37 CO 0.00 -0.14 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 2q4g n GLY 38 N 2.45 1.68 3.14 3.09 0.00 -1.26 -4.76 105.19 109.53 2q4g n GLY 38 Ca 0.06 -0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.60 -0.40 1.61 1.81 -1.25 -5.02 118.95 116.30 2q4g s ARG 39 Ca 0.00 -0.61 -0.29 0.00 -1.72 0.00 0.00 55.73 53.11 2q4g s ARG 39 Cb 0.00 0.24 0.00 0.00 -0.45 0.00 0.00 34.95 34.74 2q4g s ARG 39 CO 0.00 -0.16 1.54 0.00 -0.68 0.00 0.00 175.30 176.00 2q4g s LYS 41 N 5.22 3.78 0.54 0.00 2.20 -1.22 -4.87 119.74 125.38 2q4g s LYS 41 Ca 0.66 2.22 0.19 0.00 -0.36 0.00 0.00 55.97 58.69 2q4g s LYS 41 Cb -0.16 -4.19 1.39 0.00 -1.51 0.00 0.00 37.83 33.36 2q4g s LYS 41 CO 0.32 -1.35 2.16 -1.00 -0.36 0.00 0.00 175.35 175.12 2q4g h PRO 42 N 11.85 0.00 -3.23 4.03 0.13 -1.93 -3.44 132.00 139.41 2q4g h PRO 42 Ca -0.43 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 2q4g h PRO 42 Cb 1.22 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.23 2q4g h PRO 42 CO 0.96 0.00 0.06 0.54 -0.23 0.00 0.00 178.00 179.32 2q4g s VAL 43 N -4.98 0.03 -0.19 1.56 0.11 -1.26 -1.11 120.40 114.58 2q4g s VAL 43 Ca -0.05 -0.44 0.00 0.00 -2.93 0.00 0.00 61.98 58.56 2q4g s VAL 43 Cb 0.17 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 2q4g s VAL 43 CO 0.65 -0.15 0.00 -3.20 -3.33 0.00 0.00 175.10 169.07 2q4g n ASN 44 N -0.31 0.00 -3.82 3.54 5.15 -1.15 -4.99 115.26 113.68 2q4g n ASN 44 Ca -0.15 0.00 -0.13 0.00 -0.60 0.00 0.00 54.58 53.71 2q4g n ASN 44 Cb 0.64 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.75 2q4g n ASN 44 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2q4g s THR 45 N -2.20 -0.02 -0.33 -0.44 2.01 -1.26 -2.83 115.64 110.57 2q4g s THR 45 Ca 0.00 0.06 0.00 0.00 0.31 0.00 0.00 61.69 62.06 2q4g s THR 45 Cb 0.00 -0.12 0.08 0.00 0.01 0.00 0.00 72.50 72.47 2q4g s THR 45 CO 0.00 0.02 0.04 -0.36 -0.69 0.00 0.00 174.62 173.63 2q4g s PHE 46 N 0.36 3.45 -0.10 4.92 0.08 -0.25 -3.93 117.98 122.51 2q4g s PHE 46 Ca -0.03 -2.32 -0.30 0.00 0.12 0.00 0.00 56.93 54.40 2q4g s PHE 46 Cb -0.04 -2.51 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2q4g s PHE 46 CO -0.01 -0.89 1.05 0.08 -0.10 0.00 0.00 175.22 175.35 2q4g s VAL 47 N 1.12 4.67 -0.98 -0.44 1.01 -0.91 -1.57 120.40 123.30 2q4g s VAL 47 Ca 0.01 1.95 -0.01 0.00 0.00 0.00 0.00 61.98 63.92 2q4g s VAL 47 Cb -0.20 -4.25 0.30 0.00 0.00 0.00 0.00 36.38 32.23 2q4g s VAL 47 CO -0.04 -0.00 1.40 1.41 0.00 0.00 0.00 175.10 177.87 2q4g n HIS 48 N 5.10 2.62 -3.85 5.22 -0.00 -0.67 0.79 115.22 124.44 2q4g n HIS 48 Ca 0.09 -2.88 -0.10 0.00 -0.00 0.00 0.00 57.72 54.83 2q4g n HIS 48 Cb 0.48 -1.10 -0.08 0.00 -0.00 0.00 0.00 29.99 29.29 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 -3.05 0.74 0.37 -0.41 0.41 -1.26 -4.63 118.70 110.87 2q4g s GLU 49 Ca 0.35 -0.76 -0.26 0.00 -0.41 0.00 0.00 54.97 53.89 2q4g s GLU 49 Cb 0.10 0.30 -0.12 0.00 -1.78 0.00 0.00 34.13 32.64 2q4g s GLU 49 CO 0.04 -0.22 1.12 -2.30 -0.49 0.00 0.00 175.26 173.41 2q4g n PRO 50 N 0.41 1.64 -0.14 0.39 -0.02 -1.26 -4.54 135.00 131.49 2q4g n PRO 50 Ca -0.17 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 61.99 2q4g n PRO 50 Cb 0.60 -2.12 0.43 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.99 0.50 -1.12 2.45 5.85 -2.00 -1.59 115.31 121.40 2q4g h LEU 51 Ca -0.44 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.24 2q4g h LEU 51 Cb 1.32 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 2q4g h LEU 51 CO 0.60 0.31 0.09 1.62 -0.34 0.00 0.00 178.44 180.71 2q4g h VAL 52 N 0.56 1.21 -0.34 1.05 3.04 -1.99 -1.63 116.25 118.15 2q4g h VAL 52 Ca 0.31 -0.78 -0.10 0.00 -1.01 0.00 0.00 66.70 65.11 2q4g h VAL 52 Cb 0.45 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.49 2q4g h VAL 52 CO -0.10 0.28 -0.22 0.44 -1.01 0.00 0.00 177.57 176.97 2q4g h ASP 53 N 0.68 0.67 -0.04 3.17 3.32 -1.64 -1.77 116.42 120.80 2q4g h ASP 53 Ca 0.15 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 2q4g h ASP 53 Cb 0.30 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.67 2q4g h ASP 53 CO 0.00 0.87 -0.13 0.58 -1.72 0.00 0.00 179.24 178.85 2q4g h VAL 54 N 0.58 1.45 -0.56 -1.35 2.07 -1.32 -3.08 116.25 114.04 2q4g h VAL 54 Ca 0.09 -1.52 0.08 0.00 0.82 0.00 0.00 66.70 66.16 2q4g h VAL 54 Cb 0.69 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 2q4g h VAL 54 CO 0.05 0.42 0.38 1.56 0.02 0.00 0.00 177.57 180.00 2q4g h GLN 55 N -0.38 0.42 0.00 1.57 4.20 -1.25 0.25 115.11 119.91 2q4g h GLN 55 Ca -0.00 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2q4g h GLN 55 Cb 0.74 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 2q4g h GLN 55 CO 0.03 0.28 -0.12 -0.91 -0.67 0.00 0.00 178.83 177.44 2q4g h ASN 56 N 0.44 0.00 -0.12 1.46 2.35 -1.28 -1.81 115.58 116.62 2q4g h ASN 56 Ca 0.25 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.04 2q4g h ASN 56 Cb 0.43 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 2q4g h ASN 56 CO -0.07 0.12 0.13 0.58 -1.65 0.00 0.00 177.43 176.54 2q4g h VAL 57 N 0.00 0.55 0.00 2.81 2.07 -0.85 0.50 116.25 121.33 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 0.50 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 2q4g h VAL 57 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 2q4g n PHE 59 N -2.07 0.00 0.00 0.00 3.72 0.17 -4.99 117.46 114.29 2q4g n PHE 59 Ca -0.00 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.55 2q4g n PHE 59 Cb 0.06 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.45 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 -0.94 2.86 -2.03 -1.08 6.02 -0.40 -4.99 117.38 116.82 2q4g n GLN 60 Ca 0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.69 2q4g n GLN 60 Cb 0.70 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.93 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 4.95 3.41 0.20 -1.09 2.12 -1.24 -4.93 118.70 122.13 2q4g s GLU 61 Ca 0.00 1.44 -0.30 0.00 0.36 0.00 0.00 54.97 56.47 2q4g s GLU 61 Cb 0.00 -4.17 -0.08 0.00 0.26 0.00 0.00 34.13 30.14 2q4g s GLU 61 CO 0.00 -1.76 1.23 0.21 -0.54 0.00 0.00 175.26 174.40 2q4g s LYS 62 N 5.49 4.46 0.32 4.30 2.20 -1.26 -1.82 119.74 133.43 2q4g s LYS 62 Ca 0.78 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 58.34 2q4g s LYS 62 Cb -0.22 -3.21 -0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2q4g s LYS 62 CO 0.33 -0.13 0.39 0.14 -0.36 0.00 0.00 175.35 175.72 2q4g s VAL 63 N -0.12 0.00 0.21 4.02 -7.23 -0.93 -4.92 120.40 111.43 2q4g s VAL 63 Ca 0.53 -1.74 -0.10 0.00 -1.81 0.00 0.00 61.98 58.86 2q4g s VAL 63 Cb -0.34 -2.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.96 2q4g s VAL 63 CO 0.38 0.00 0.55 -0.89 -0.31 0.00 0.00 175.10 174.83 2q4g s THR 64 N -3.30 4.92 0.00 5.32 2.01 -1.26 -3.35 115.64 119.99 2q4g s THR 64 Ca 0.34 0.53 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2q4g s THR 64 Cb 0.01 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.88 2q4g s THR 64 CO 0.21 -0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.13 2q4g h LYS 66 N 0.00 0.00 -0.36 0.00 3.64 -1.91 -3.36 116.57 114.58 2q4g h LYS 66 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2q4g h LYS 66 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2q4g h LYS 66 CO 0.00 0.23 0.00 0.27 -2.27 0.00 0.00 179.45 177.68 2q4g n ASN 67 N -4.73 0.36 -0.07 4.20 0.23 -1.26 -4.82 115.26 109.17 2q4g n ASN 67 Ca -0.03 -1.69 0.00 0.00 -0.53 0.00 0.00 54.58 52.33 2q4g n ASN 67 Cb 0.12 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 2q4g n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2q4g n GLY 68 N 0.23 1.04 3.88 4.83 0.00 -1.26 -5.10 105.19 108.82 2q4g n GLY 68 Ca 0.00 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.76 3.13 -0.29 1.61 -1.52 -1.26 -4.93 119.66 113.64 2q4g s GLN 69 Ca 0.00 -0.92 0.09 0.00 -1.95 0.00 0.00 55.36 52.58 2q4g s GLN 69 Cb 0.00 -2.70 0.50 0.00 -0.22 0.00 0.00 33.01 30.59 2q4g s GLN 69 CO 0.00 0.42 1.46 0.41 -0.25 0.00 0.00 175.29 177.33 2q4g n GLY 70 N -1.18 4.91 2.56 3.09 0.00 -1.26 -0.93 105.19 112.40 2q4g n GLY 70 Ca -0.08 -1.23 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.12 2.75 -4.81 1.61 6.94 -1.26 -4.91 115.26 114.46 2q4g n ASN 71 Ca 0.33 -2.91 -0.22 0.00 -0.02 0.00 0.00 54.58 51.76 2q4g n ASN 71 Cb 1.02 -0.47 -0.05 0.00 -2.36 0.00 0.00 39.78 37.93 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 -2.16 -0.06 -0.17 0.00 2.02 0.33 -2.18 117.35 115.13 2q4g s TYR 73 Ca 0.33 0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 57.12 2q4g s TYR 73 Cb -0.08 -0.01 -0.04 0.00 -0.40 0.00 0.00 41.96 41.43 2q4g s TYR 73 CO 0.25 -0.05 0.11 0.21 -1.57 0.00 0.00 175.55 174.50 2q4g s LYS 74 N 0.22 3.85 0.08 -0.62 2.20 -0.76 -0.98 119.74 123.73 2q4g s LYS 74 Ca -0.02 -0.23 -0.31 0.00 -0.36 0.00 0.00 55.97 55.05 2q4g s LYS 74 Cb -0.02 -3.27 -0.10 0.00 -1.51 0.00 0.00 37.83 32.93 2q4g s LYS 74 CO -0.01 0.46 1.88 -1.13 -0.36 0.00 0.00 175.35 176.19 2q4g n SER 75 N 2.99 4.01 -0.33 1.43 3.41 -1.04 -3.67 113.62 120.43 2q4g n SER 75 Ca -0.17 0.96 0.20 0.00 -0.26 0.00 0.00 58.87 59.60 2q4g n SER 75 Cb 0.53 -1.52 0.41 0.00 -0.26 0.00 0.00 64.21 63.37 2q4g n SER 75 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2q4g h ASN 76 N 9.15 0.44 -1.72 4.04 2.35 -1.95 -3.41 115.58 124.48 2q4g h ASN 76 Ca -0.48 0.18 -0.59 0.00 -0.55 0.00 0.00 56.30 54.86 2q4g h ASN 76 Cb 1.23 0.14 -0.11 0.00 0.05 0.00 0.00 38.32 39.64 2q4g h ASN 76 CO 0.94 -0.09 -0.57 -0.55 -1.65 0.00 0.00 177.43 175.51 2q4g s SER 77 N -5.01 4.14 0.57 5.81 0.15 -1.26 -5.09 113.70 113.02 2q4g s SER 77 Ca -0.11 -1.16 -0.16 0.00 0.70 0.00 0.00 55.95 55.22 2q4g s SER 77 Cb 0.29 -0.46 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2q4g s SER 77 CO 0.79 -0.42 1.04 -0.94 1.20 0.00 0.00 173.24 174.91 2q4g s SER 78 N -3.78 5.97 0.04 5.45 1.04 -1.26 -4.43 113.70 116.73 2q4g s SER 78 Ca 0.37 1.79 0.04 0.00 0.48 0.00 0.00 55.95 58.63 2q4g s SER 78 Cb 0.05 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.61 2q4g s SER 78 CO 0.20 -1.04 -0.13 -0.04 0.98 0.00 0.00 173.24 173.22 2q4g s MET 79 N -3.99 0.82 0.11 4.02 -1.94 0.43 -4.77 119.30 113.98 2q4g s MET 79 Ca 0.63 -0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 53.56 2q4g s MET 79 Cb -0.15 -0.79 -0.09 0.00 2.01 0.00 0.00 34.83 35.81 2q4g s MET 79 CO 0.34 0.19 1.56 -1.01 -0.01 0.00 0.00 175.02 176.10 2q4g s HIS 80 N -0.94 2.82 0.24 -0.03 3.76 -1.26 -1.34 115.29 118.54 2q4g s HIS 80 Ca -0.01 0.57 -0.02 0.00 -0.15 0.00 0.00 55.06 55.45 2q4g s HIS 80 Cb -0.08 -3.89 -0.03 0.00 1.11 0.00 0.00 32.58 29.69 2q4g s HIS 80 CO 0.01 -3.38 0.25 0.96 -0.85 0.00 0.00 174.74 171.73 2q4g s ILE 81 N 1.82 0.00 -0.05 0.60 -4.36 0.36 -1.66 121.20 117.92 2q4g s ILE 81 Ca 0.70 -1.86 -0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2q4g s ILE 81 Cb -0.40 -2.46 0.03 0.00 1.25 0.00 0.00 42.46 40.88 2q4g s ILE 81 CO 0.31 0.00 0.08 -0.89 0.24 0.00 0.00 174.94 174.68 2q4g s THR 82 N -3.91 -0.13 -0.18 8.37 2.01 -0.61 -2.74 115.64 118.45 2q4g s THR 82 Ca 0.36 0.42 -0.16 0.00 0.31 0.00 0.00 61.69 62.61 2q4g s THR 82 Cb 0.04 -0.17 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 2q4g s THR 82 CO 0.15 0.18 0.40 -1.81 -0.69 0.00 0.00 174.62 172.85 2q4g s ASP 83 N 2.19 6.49 -0.41 3.53 1.01 -0.88 -1.09 116.67 127.52 2q4g s ASP 83 Ca 0.05 0.58 -0.08 0.00 0.71 0.00 0.00 52.55 53.81 2q4g s ASP 83 Cb -0.12 -2.24 0.08 0.00 1.01 0.00 0.00 42.92 41.65 2q4g s ASP 83 CO -0.03 -0.04 0.23 0.00 0.21 0.00 0.00 175.17 175.54 2q4g s ARG 85 N 1.37 3.65 0.33 0.00 3.52 -1.16 -2.95 118.95 123.71 2q4g s ARG 85 Ca 0.03 -0.53 -0.29 0.00 -0.13 0.00 0.00 55.73 54.82 2q4g s ARG 85 Cb -0.23 -2.93 -0.12 0.00 -1.56 0.00 0.00 34.95 30.11 2q4g s ARG 85 CO 0.01 0.20 1.47 -0.11 -0.81 0.00 0.00 175.30 176.06 2q4g n LEU 86 N 3.66 4.28 -4.84 -0.88 7.94 -0.26 -0.77 117.00 126.13 2q4g n LEU 86 Ca -0.17 1.19 -0.33 0.00 -1.11 0.00 0.00 56.01 55.59 2q4g n LEU 86 Cb 0.52 -1.57 -0.06 0.00 0.53 0.00 0.00 43.42 42.84 2q4g n LEU 86 CO 0.33 -0.02 -0.21 0.42 -1.11 0.00 0.00 177.39 176.80 2q4g s THR 87 N -0.71 5.05 -1.76 1.96 -4.23 0.30 -4.82 115.64 111.44 2q4g s THR 87 Ca 0.58 -0.31 0.08 0.00 -1.18 0.00 0.00 61.69 60.85 2q4g s THR 87 Cb -0.51 -3.34 0.18 0.00 1.34 0.00 0.00 72.50 70.16 2q4g s THR 87 CO 0.58 0.32 0.99 0.59 -0.54 0.00 0.00 174.62 176.57 2q4g n ASN 88 N 1.02 0.00 -1.20 3.99 3.02 -1.26 -1.29 115.26 119.54 2q4g n ASN 88 Ca -0.12 -0.06 0.12 0.00 -0.03 0.00 0.00 54.58 54.49 2q4g n ASN 88 Cb 0.53 -0.12 0.26 0.00 -0.61 0.00 0.00 39.78 39.83 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 -0.58 1.92 3.78 7.41 0.00 -1.26 -4.94 105.19 111.52 2q4g n GLY 89 Ca 0.05 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 2q4g n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2q4g s SER 90 N -1.32 7.07 -0.15 1.61 0.01 -0.41 -4.96 113.70 115.56 2q4g s SER 90 Ca 0.42 1.28 -0.04 0.00 1.31 0.00 0.00 55.95 58.92 2q4g s SER 90 Cb 0.24 -2.39 0.07 0.00 0.21 0.00 0.00 66.02 64.14 2q4g s SER 90 CO 0.32 0.16 0.15 -0.60 0.41 0.00 0.00 173.24 173.68 2q4g s ARG 91 N -0.57 0.09 0.19 12.44 3.52 -1.24 -4.94 118.95 128.43 2q4g s ARG 91 Ca 0.32 0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.83 2q4g s ARG 91 Cb -0.19 -1.13 -0.17 0.00 -1.56 0.00 0.00 34.95 31.89 2q4g s ARG 91 CO 0.19 -0.55 0.64 0.98 -0.81 0.00 0.00 175.30 175.76 2q4g n TYR 92 N 5.31 -0.16 0.04 5.12 9.36 -1.26 -0.98 117.16 134.59 2q4g n TYR 92 Ca -0.06 0.95 0.06 0.00 3.32 0.00 0.00 57.90 62.17 2q4g n TYR 92 Cb 0.49 -2.01 0.24 0.00 -0.63 0.00 0.00 39.34 37.44 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 1.05 3.00 -1.59 2.98 -0.04 -1.26 -4.92 135.00 134.21 2q4g n PRO 93 Ca 0.17 -1.90 -0.32 0.00 -0.04 0.00 0.00 63.50 61.42 2q4g n PRO 93 Cb 0.24 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 31.93 2q4g n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2q4g n ASN 94 N 0.57 6.99 -4.68 3.54 3.02 -0.16 -5.00 115.26 119.54 2q4g n ASN 94 Ca 0.17 -3.49 -0.34 0.00 -0.03 0.00 0.00 54.58 50.90 2q4g n ASN 94 Cb 0.69 -1.14 0.12 0.00 -0.61 0.00 0.00 39.78 38.85 2q4g n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4g s ALA 96 N -2.09 -0.26 0.14 0.00 0.00 -1.26 -4.94 121.76 113.36 2q4g s ALA 96 Ca 0.73 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.99 2q4g s ALA 96 Cb -0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 2q4g s ALA 96 CO 0.51 -0.07 -0.16 0.71 0.00 0.00 0.00 175.76 176.75 2q4g s TYR 97 N -0.15 1.62 0.27 0.00 1.51 -1.26 -0.54 117.35 118.79 2q4g s TYR 97 Ca -0.02 -0.51 -0.02 0.00 -1.01 0.00 0.00 57.07 55.51 2q4g s TYR 97 Cb -0.02 -0.82 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 2q4g s TYR 97 CO 0.00 0.24 0.48 0.50 -1.11 0.00 0.00 175.55 175.66 2q4g s ARG 98 N -2.74 3.55 -0.10 -0.62 3.52 0.05 -4.85 118.95 117.75 2q4g s ARG 98 Ca 0.12 -0.23 0.02 0.00 -0.13 0.00 0.00 55.73 55.52 2q4g s ARG 98 Cb -0.05 -2.73 0.01 0.00 -1.56 0.00 0.00 34.95 30.62 2q4g s ARG 98 CO 0.05 0.28 -0.16 0.99 -0.81 0.00 0.00 175.30 175.64 2q4g s THR 99 N -2.05 1.52 -0.07 4.11 2.01 -1.26 -2.99 115.64 116.90 2q4g s THR 99 Ca 0.41 -0.67 -0.02 0.00 0.31 0.00 0.00 61.69 61.72 2q4g s THR 99 Cb -0.11 -1.37 0.03 0.00 0.01 0.00 0.00 72.50 71.07 2q4g s THR 99 CO 0.31 0.44 0.03 -0.44 -0.69 0.00 0.00 174.62 174.28 2q4g s SER 100 N 0.83 1.51 0.53 3.53 0.01 -1.21 -5.02 113.70 113.88 2q4g s SER 100 Ca -0.10 -0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.09 2q4g s SER 100 Cb -0.16 -0.30 0.03 0.00 0.21 0.00 0.00 66.02 65.80 2q4g s SER 100 CO 0.01 -0.23 0.76 -2.16 0.41 0.00 0.00 173.24 172.02 2q4g s PRO 101 N 2.06 2.64 0.00 12.44 0.04 -1.26 -2.07 135.00 148.85 2q4g s PRO 101 Ca 0.05 -0.73 0.00 0.00 0.04 0.00 0.00 61.00 60.35 2q4g s PRO 101 Cb -0.13 -2.50 0.00 0.00 0.04 0.00 0.00 34.50 31.91 2q4g s PRO 101 CO -0.05 -0.63 0.00 0.36 0.04 0.00 0.00 177.00 176.72 2q4g n LYS 102 N -2.29 0.00 -4.10 4.56 2.85 -1.11 -4.99 118.16 113.08 2q4g n LYS 102 Ca 0.07 0.00 -0.33 0.00 -1.05 0.00 0.00 58.31 57.00 2q4g n LYS 102 Cb 0.59 0.00 -0.16 0.00 -0.65 0.00 0.00 35.03 34.82 2q4g n LYS 102 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2q4g s GLU 103 N -2.00 2.80 0.04 -1.58 2.02 -1.26 -0.48 118.70 118.24 2q4g s GLU 103 Ca 0.00 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 2q4g s GLU 103 Cb 0.00 -2.66 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 2q4g s GLU 103 CO 0.00 -0.30 0.06 1.03 0.02 0.00 0.00 175.26 176.07 2q4g s ARG 104 N 1.24 0.54 -0.05 1.61 1.81 -0.45 -4.68 118.95 118.97 2q4g s ARG 104 Ca 0.01 -0.78 -0.30 0.00 -1.72 0.00 0.00 55.73 52.95 2q4g s ARG 104 Cb -0.15 0.21 -0.05 0.00 -0.45 0.00 0.00 34.95 34.51 2q4g s ARG 104 CO -0.11 -0.12 1.46 -1.01 -0.68 0.00 0.00 175.30 174.84 2q4g s HIS 105 N -2.55 2.56 -0.27 -0.53 3.76 -0.60 -0.42 115.29 117.25 2q4g s HIS 105 Ca -0.06 0.64 -0.18 0.00 -0.15 0.00 0.00 55.06 55.32 2q4g s HIS 105 Cb -0.02 -3.72 -0.03 0.00 1.11 0.00 0.00 32.58 29.93 2q4g s HIS 105 CO -0.04 -2.79 0.51 0.96 -0.85 0.00 0.00 174.74 172.53 2q4g s ILE 106 N 3.14 5.07 -0.23 0.60 -4.36 -1.26 -1.57 121.20 122.58 2q4g s ILE 106 Ca 0.65 0.85 -0.17 0.00 -0.26 0.00 0.00 60.65 61.72 2q4g s ILE 106 Cb -0.30 -3.83 -0.03 0.00 1.25 0.00 0.00 42.46 39.54 2q4g s ILE 106 CO 0.25 0.07 0.47 -0.63 0.24 0.00 0.00 174.94 175.35 2q4g s ILE 107 N 2.31 5.12 0.27 8.37 1.01 -0.69 -2.49 121.20 135.11 2q4g s ILE 107 Ca 0.21 0.83 0.10 0.00 0.00 0.00 0.00 60.65 61.79 2q4g s ILE 107 Cb -0.16 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.47 2q4g s ILE 107 CO 0.09 0.16 -0.15 0.68 0.00 0.00 0.00 174.94 175.72 2q4g s VAL 108 N 1.84 2.16 -0.00 2.92 -7.23 -0.15 -0.51 120.40 119.42 2q4g s VAL 108 Ca 0.21 -2.29 0.02 0.00 -1.81 0.00 0.00 61.98 58.11 2q4g s VAL 108 Cb -0.15 -2.32 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 2q4g s VAL 108 CO 0.09 -0.40 -0.03 0.00 -0.31 0.00 0.00 175.10 174.45 2q4g s ALA 109 N -2.70 3.16 0.07 1.32 0.00 0.52 0.12 121.76 124.25 2q4g s ALA 109 Ca 0.29 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.33 2q4g s ALA 109 Cb -0.02 -1.24 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 2q4g s ALA 109 CO 0.13 0.63 -0.17 0.00 0.00 0.00 0.00 175.76 176.35 2q4g s GLU 111 N -1.58 0.50 0.00 0.00 2.12 0.93 -4.85 118.70 115.82 2q4g s GLU 111 Ca 0.03 0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.94 2q4g s GLU 111 Cb -0.09 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.54 2q4g s GLU 111 CO 0.03 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2q4g n GLY 112 N 2.17 1.44 2.82 -1.50 0.00 -1.26 -3.49 105.19 105.37 2q4g n GLY 112 Ca -0.12 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.33 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 0.00 4.04 0.80 1.61 0.15 -1.26 -0.98 113.70 118.06 2q4g s SER 113 Ca 0.00 -1.59 -0.12 0.00 0.70 0.00 0.00 55.95 54.94 2q4g s SER 113 Cb 0.00 -1.03 0.08 0.00 -1.71 0.00 0.00 66.02 63.36 2q4g s SER 113 CO 0.00 -0.37 1.14 -2.16 1.20 0.00 0.00 173.24 173.04 2q4g s PRO 114 N 1.48 1.87 -0.17 5.44 0.04 -1.26 -5.09 135.00 137.31 2q4g s PRO 114 Ca 0.07 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2q4g s PRO 114 Cb -0.18 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.50 2q4g s PRO 114 CO -0.18 -1.97 1.56 -0.47 0.04 0.00 0.00 177.00 175.98 2q4g s TYR 115 N -2.56 2.20 0.17 0.56 6.04 -0.15 -4.90 117.35 118.71 2q4g s TYR 115 Ca 0.66 0.53 -0.08 0.00 0.04 0.00 0.00 57.07 58.23 2q4g s TYR 115 Cb -0.22 -3.90 -0.01 0.00 -1.04 0.00 0.00 41.96 36.79 2q4g s TYR 115 CO 0.53 -2.95 0.26 0.14 -1.54 0.00 0.00 175.55 171.99 2q4g s VAL 116 N 4.64 0.06 0.33 3.14 -7.23 -1.23 -4.88 120.40 115.24 2q4g s VAL 116 Ca 0.69 -1.51 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2q4g s VAL 116 Cb -0.26 -1.97 -0.11 0.00 0.56 0.00 0.00 36.38 34.60 2q4g s VAL 116 CO 0.27 -0.26 1.55 -2.65 -0.31 0.00 0.00 175.10 173.70 2q4g n PRO 117 N -0.22 2.70 -0.01 4.82 -0.02 -1.26 -0.05 135.00 140.96 2q4g n PRO 117 Ca -0.06 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.38 2q4g n PRO 117 Cb 0.63 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2q4g n PRO 117 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2q4g n VAL 118 N 1.33 0.20 -3.16 -1.45 0.24 0.29 -4.54 118.33 111.24 2q4g n VAL 118 Ca 0.05 -0.20 0.05 0.00 -2.04 0.00 0.00 64.34 62.20 2q4g n VAL 118 Cb 0.38 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.61 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 -0.20 -0.06 -0.03 6.34 5.65 -1.21 -4.96 115.29 120.83 2q4g s HIS 119 Ca 0.00 0.08 -0.30 0.00 0.25 0.00 0.00 55.06 55.09 2q4g s HIS 119 Cb 0.00 0.03 -0.04 0.00 -1.18 0.00 0.00 32.58 31.39 2q4g s HIS 119 CO 0.00 -0.03 1.28 0.12 -0.65 0.00 0.00 174.74 175.46 2q4g s PHE 120 N 2.52 3.07 -0.27 3.88 5.36 -1.26 -0.35 117.98 130.91 2q4g s PHE 120 Ca -0.05 1.06 -0.10 0.00 -0.96 0.00 0.00 56.93 56.88 2q4g s PHE 120 Cb -0.04 -3.52 -0.13 0.00 -0.34 0.00 0.00 43.02 38.98 2q4g s PHE 120 CO -0.11 -1.78 -0.33 -3.47 -1.46 0.00 0.00 175.22 168.07 2q4g n ASP 121 N 5.19 1.96 -3.44 6.13 4.64 0.33 -4.93 116.55 126.44 2q4g n ASP 121 Ca 0.12 0.21 -0.07 0.00 -1.38 0.00 0.00 54.79 53.68 2q4g n ASP 121 Cb 0.45 -0.71 0.00 0.00 -1.04 0.00 0.00 41.12 39.82 2q4g n ASP 121 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2q4g s ALA 122 N -2.51 -1.15 -0.09 -1.67 0.00 -0.87 -4.92 121.76 110.55 2q4g s ALA 122 Ca -0.38 -0.41 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2q4g s ALA 122 Cb 0.13 0.74 0.00 0.00 0.00 0.00 0.00 23.12 24.00 2q4g s ALA 122 CO 0.52 -1.02 -0.22 -1.54 0.00 0.00 0.00 175.76 173.50 2q4g s SER 123 N -3.04 2.84 -0.17 0.00 1.04 -1.26 -1.71 113.70 111.40 2q4g s SER 123 Ca 0.14 -0.51 0.01 0.00 0.48 0.00 0.00 55.95 56.07 2q4g s SER 123 Cb -0.05 -1.30 0.02 0.00 0.10 0.00 0.00 66.02 64.80 2q4g s SER 123 CO 0.08 0.13 -0.19 -0.69 0.98 0.00 0.00 173.24 173.55 2q4g s VAL 124 N 0.42 1.98 -0.23 5.02 1.01 -0.61 -4.96 120.40 123.02 2q4g s VAL 124 Ca -0.18 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 2q4g s VAL 124 Cb -0.17 -1.79 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 2q4g s VAL 124 CO 0.08 0.53 0.15 -0.70 0.00 0.00 0.00 175.10 175.16 2q4g s GLU 125 N 1.24 4.09 0.00 2.72 2.12 -1.26 -1.55 118.70 126.06 2q4g s GLU 125 Ca 0.03 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.10 2q4g s GLU 125 Cb -0.13 -3.51 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2q4g s GLU 125 CO -0.11 0.11 0.01 -0.40 -0.54 0.00 0.00 175.26 174.33 2q4g n ASP 126 N 4.14 0.03 0.00 -1.70 3.85 -1.26 -5.07 116.55 116.53 2q4g n ASP 126 Ca -0.15 -0.22 0.00 0.00 -0.71 0.00 0.00 54.79 53.71 2q4g n ASP 126 Cb 0.52 0.23 0.00 0.00 -1.35 0.00 0.00 41.12 40.52 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65