#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 3.57 -1.46 4.31 1.04 -1.26 -4.92 113.70 114.98 2q4g s SER 3 Ca 0.00 0.94 -0.09 0.00 0.48 0.00 0.00 55.95 57.29 2q4g s SER 3 Cb 0.00 -1.51 0.03 0.00 0.10 0.00 0.00 66.02 64.64 2q4g s SER 3 CO 0.00 -2.51 2.54 0.54 0.98 0.00 0.00 173.24 174.79 2q4g n ARG 4 N -3.74 3.91 0.00 4.02 5.12 -1.26 -3.41 116.66 121.30 2q4g n ARG 4 Ca 0.07 -2.85 0.00 0.00 -1.93 0.00 0.00 57.85 53.13 2q4g n ARG 4 Cb 0.59 -2.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.08 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 3.27 0.00 0.01 7.54 0.00 -1.26 -4.65 120.51 125.42 2q4g n ALA 5 Ca 0.65 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.90 2q4g n ALA 5 Cb 0.27 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 0.75 -0.05 0.00 1.79 -1.92 -2.88 116.57 114.25 2q4g h LYS 6 Ca 0.00 -0.71 0.01 0.00 -2.18 0.00 0.00 60.65 57.77 2q4g h LYS 6 Cb 0.00 0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2q4g h LYS 6 CO 0.00 1.30 0.04 -0.22 -1.08 0.00 0.00 179.45 179.48 2q4g h LYS 7 N 0.46 0.00 -0.25 3.15 3.64 -1.92 0.12 116.57 121.77 2q4g h LYS 7 Ca -0.09 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.11 2q4g h LYS 7 Cb 1.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2q4g h LYS 7 CO 0.18 0.00 -0.51 0.35 -2.27 0.00 0.00 179.45 177.20 2q4g h PHE 8 N 0.00 1.00 -0.64 1.91 3.57 -1.83 0.66 116.94 121.61 2q4g h PHE 8 Ca 0.02 -0.37 -0.07 0.00 3.53 0.00 0.00 57.97 61.08 2q4g h PHE 8 Cb 0.09 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 2q4g h PHE 8 CO 0.00 1.17 0.11 1.96 -2.23 0.00 0.00 178.31 179.32 2q4g h GLN 9 N 0.54 1.05 -0.23 1.11 4.20 -0.83 0.38 115.11 121.34 2q4g h GLN 9 Ca 0.01 -0.28 -0.07 0.00 0.06 0.00 0.00 58.65 58.37 2q4g h GLN 9 Cb 1.12 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2q4g h GLN 9 CO 0.11 0.97 -0.12 -0.09 -0.67 0.00 0.00 178.83 179.04 2q4g h ARG 10 N 0.96 0.49 0.02 1.46 2.43 -0.77 0.23 114.38 119.20 2q4g h ARG 10 Ca 0.19 -0.22 -0.25 0.00 -0.81 0.00 0.00 59.98 58.90 2q4g h ARG 10 Cb 0.43 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2q4g h ARG 10 CO 0.01 0.76 -1.27 1.96 -1.51 0.00 0.00 179.97 179.93 2q4g h GLN 11 N 0.20 0.04 0.00 0.20 4.20 -0.80 -3.41 115.11 115.54 2q4g h GLN 11 Ca 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2q4g h GLN 11 Cb 0.62 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2q4g h GLN 11 CO 0.04 0.88 0.00 0.72 -0.67 0.00 0.00 178.83 179.79 2q4g n HIS 12 N -3.28 0.00 -4.30 2.96 8.25 0.13 -4.63 115.22 114.36 2q4g n HIS 12 Ca -0.07 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.05 2q4g n HIS 12 Cb 0.99 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.98 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 -0.22 3.68 -0.44 -0.41 -1.94 0.07 -0.10 119.30 119.93 2q4g s MET 13 Ca 0.00 -0.46 0.08 0.00 -1.71 0.00 0.00 55.69 53.60 2q4g s MET 13 Cb 0.00 -2.98 0.32 0.00 2.01 0.00 0.00 34.83 34.18 2q4g s MET 13 CO 0.00 0.31 0.98 -3.47 -0.01 0.00 0.00 175.02 172.83 2q4g n ASP 14 N 3.37 -1.53 0.00 3.03 2.03 -1.04 -4.70 116.55 117.70 2q4g n ASP 14 Ca -0.17 -3.46 0.00 0.00 0.52 0.00 0.00 54.79 51.68 2q4g n ASP 14 Cb 0.52 1.21 0.00 0.00 -0.72 0.00 0.00 41.12 42.13 2q4g n ASP 14 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2q4g n SER 15 N 0.50 0.00 -0.27 1.67 7.64 -1.24 -2.59 113.62 119.34 2q4g n SER 15 Ca 0.11 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.99 2q4g n SER 15 Cb 0.68 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2q4g n SER 15 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2q4g n ASP 16 N -2.90 0.42 -4.80 6.43 8.00 -1.26 -3.81 116.55 118.64 2q4g n ASP 16 Ca 0.00 -1.53 -0.38 0.00 0.71 0.00 0.00 54.79 53.58 2q4g n ASP 16 Cb 0.00 -0.21 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 2q4g n ASP 16 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2q4g s SER 17 N -0.69 6.94 0.67 -2.24 0.15 -1.07 -5.03 113.70 112.43 2q4g s SER 17 Ca 0.00 1.11 -0.17 0.00 0.70 0.00 0.00 55.95 57.59 2q4g s SER 17 Cb 0.00 -2.33 -0.05 0.00 -1.71 0.00 0.00 66.02 61.94 2q4g s SER 17 CO 0.00 0.22 0.63 -0.24 1.20 0.00 0.00 173.24 175.05 2q4g n SER 18 N 2.21 -0.72 0.13 5.45 2.88 -1.26 -4.87 113.62 117.43 2q4g n SER 18 Ca -0.10 0.66 -0.13 0.00 -1.33 0.00 0.00 58.87 57.97 2q4g n SER 18 Cb 0.51 -1.25 -0.08 0.00 -0.75 0.00 0.00 64.21 62.64 2q4g n SER 18 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 2q4g h PRO 19 N -0.12 -0.34 -5.12 -1.46 0.11 -1.95 -3.38 132.00 119.74 2q4g h PRO 19 Ca -0.46 0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.42 2q4g h PRO 19 Cb 1.36 0.08 0.02 0.00 0.11 0.00 0.00 31.00 32.57 2q4g h PRO 19 CO 0.45 0.00 0.75 0.43 -0.21 0.00 0.00 178.00 179.42 2q4g n SER 20 N -5.08 1.88 -4.72 -2.05 7.64 -1.26 -4.83 113.62 105.21 2q4g n SER 20 Ca -0.09 -2.57 -0.34 0.00 1.01 0.00 0.00 58.87 56.88 2q4g n SER 20 Cb 0.26 -1.48 0.10 0.00 -1.01 0.00 0.00 64.21 62.08 2q4g n SER 20 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2q4g s SER 21 N 7.38 4.05 0.47 6.43 0.01 -1.26 -5.04 113.70 125.73 2q4g s SER 21 Ca 0.74 2.38 0.08 0.00 1.31 0.00 0.00 55.95 60.45 2q4g s SER 21 Cb 0.01 -2.59 0.01 0.00 0.21 0.00 0.00 66.02 63.67 2q4g s SER 21 CO 0.19 -2.36 0.49 -0.94 0.41 0.00 0.00 173.24 171.03 2q4g s SER 22 N -2.03 5.11 0.00 2.44 1.04 -1.26 -4.87 113.70 114.12 2q4g s SER 22 Ca 0.74 -0.79 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2q4g s SER 22 Cb -0.30 -0.26 0.22 0.00 0.10 0.00 0.00 66.02 65.78 2q4g s SER 22 CO 0.47 -0.87 0.62 -1.54 0.98 0.00 0.00 173.24 172.89 2q4g n SER 23 N -1.77 0.00 -0.03 7.02 3.41 -1.26 -2.06 113.62 118.94 2q4g n SER 23 Ca 0.06 -0.65 -0.01 0.00 -0.26 0.00 0.00 58.87 58.00 2q4g n SER 23 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.49 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 -0.65 0.39 0.00 6.66 -2.24 -1.26 -4.72 114.28 112.46 2q4g n THR 24 Ca 0.03 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 2q4g n THR 24 Cb 0.01 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 2q4g n THR 24 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2q4g n TYR 25 N -2.15 0.00 -0.13 4.78 9.36 -0.87 0.83 117.16 128.98 2q4g n TYR 25 Ca -0.10 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 61.08 2q4g n TYR 25 Cb 0.60 -0.32 0.03 0.00 -0.63 0.00 0.00 39.34 39.02 2q4g n TYR 25 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2q4g h ASN 27 N 0.12 0.64 0.18 0.00 4.21 -1.72 0.59 115.58 119.61 2q4g h ASN 27 Ca 0.21 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.71 2q4g h ASN 27 Cb 0.29 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 37.35 2q4g h ASN 27 CO -0.33 0.42 -0.09 -0.61 -1.29 0.00 0.00 177.43 175.53 2q4g h GLN 28 N 0.73 -0.24 -0.70 0.81 4.15 0.31 -3.26 115.11 116.92 2q4g h GLN 28 Ca 0.29 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.65 2q4g h GLN 28 Cb 0.20 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2q4g h GLN 28 CO -0.09 0.03 0.16 0.52 -1.93 0.00 0.00 178.83 177.52 2q4g h MET 29 N -1.01 1.12 0.00 1.69 2.86 0.24 -0.90 114.93 118.92 2q4g h MET 29 Ca -0.02 -0.27 -0.02 0.00 -2.06 0.00 0.00 59.70 57.32 2q4g h MET 29 Cb 0.37 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2q4g h MET 29 CO 0.04 0.99 -0.11 0.52 1.06 0.00 0.00 176.91 179.41 2q4g h MET 30 N 1.05 0.00 0.05 1.72 2.86 -1.05 0.65 114.93 120.21 2q4g h MET 30 Ca 0.22 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2q4g h MET 30 Cb 0.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.04 2q4g h MET 30 CO 0.00 0.11 -0.02 -0.09 1.06 0.00 0.00 176.91 177.97 2q4g h ARG 31 N 0.00 -0.06 -0.33 1.72 2.43 -1.48 -2.12 114.38 114.53 2q4g h ARG 31 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2q4g h ARG 31 Cb 0.21 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 2q4g h ARG 31 CO 0.01 0.56 0.19 0.00 -1.51 0.00 0.00 179.97 179.22 2q4g h ARG 32 N -0.89 0.45 -0.73 0.20 3.08 -0.95 -2.47 114.38 113.08 2q4g h ARG 32 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2q4g h ARG 32 Cb 0.65 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.60 2q4g h ARG 32 CO 0.01 0.33 0.00 0.54 -1.07 0.00 0.00 179.97 179.78 2q4g n ARG 33 N -4.45 3.00 -3.74 0.04 5.12 0.20 -4.93 116.66 111.90 2q4g n ARG 33 Ca 0.02 -1.70 -0.25 0.00 -1.93 0.00 0.00 57.85 53.99 2q4g n ARG 33 Cb 0.09 -1.85 0.04 0.00 -1.16 0.00 0.00 32.46 29.59 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 0.39 -3.41 -0.77 0.55 3.02 -0.93 -4.75 115.26 109.36 2q4g n ASN 34 Ca 0.15 -0.74 0.07 0.00 -0.03 0.00 0.00 54.58 54.03 2q4g n ASN 34 Cb 0.72 -4.26 0.16 0.00 -0.61 0.00 0.00 39.78 35.79 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 -4.53 2.36 -1.67 3.52 2.81 -0.80 -4.41 117.12 114.40 2q4g n MET 35 Ca -0.13 -2.00 -0.07 0.00 -1.81 0.00 0.00 57.70 53.69 2q4g n MET 35 Cb 0.60 -1.33 0.08 0.00 -0.71 0.00 0.00 33.22 31.86 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 0.83 1.89 -3.67 2.03 -2.24 -1.24 -0.07 114.28 111.81 2q4g n THR 36 Ca 0.13 -3.29 -0.37 0.00 -2.27 0.00 0.00 64.05 58.26 2q4g n THR 36 Cb 0.45 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.41 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 -3.07 4.02 0.00 -0.78 -0.21 -1.26 -4.52 119.66 113.85 2q4g s GLN 37 Ca 0.41 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.50 2q4g s GLN 37 Cb 0.38 -3.54 0.00 0.00 1.00 0.00 0.00 33.01 30.85 2q4g s GLN 37 CO -0.03 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 2q4g n GLY 38 N 4.44 1.45 2.99 3.09 0.00 -1.26 -4.77 105.19 111.13 2q4g n GLY 38 Ca -0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 0.25 -0.21 1.61 1.81 -1.26 -5.01 118.95 116.14 2q4g s ARG 39 Ca 0.00 -0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 53.42 2q4g s ARG 39 Cb 0.00 0.10 -0.01 0.00 -0.45 0.00 0.00 34.95 34.59 2q4g s ARG 39 CO 0.00 -0.05 1.33 0.00 -0.68 0.00 0.00 175.30 175.90 2q4g s LYS 41 N 3.86 3.61 0.22 0.00 2.20 0.90 -4.88 119.74 125.65 2q4g s LYS 41 Ca 0.58 1.92 -0.10 0.00 -0.36 0.00 0.00 55.97 58.01 2q4g s LYS 41 Cb -0.21 -4.18 0.31 0.00 -1.51 0.00 0.00 37.83 32.25 2q4g s LYS 41 CO 0.19 -1.53 1.68 -1.00 -0.36 0.00 0.00 175.35 174.33 2q4g h PRO 42 N 12.21 0.18 -3.41 4.03 0.13 -1.93 -3.44 132.00 139.77 2q4g h PRO 42 Ca -0.39 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.55 2q4g h PRO 42 Cb 1.20 -0.04 -0.25 0.00 0.13 0.00 0.00 31.00 32.03 2q4g h PRO 42 CO 0.98 0.12 -0.54 0.54 -0.23 0.00 0.00 178.00 178.87 2q4g s VAL 43 N -6.12 0.02 -0.09 1.56 0.11 -1.26 -1.96 120.40 112.65 2q4g s VAL 43 Ca -0.13 -0.16 -0.20 0.00 -2.93 0.00 0.00 61.98 58.56 2q4g s VAL 43 Cb 0.19 -0.26 0.05 0.00 -1.53 0.00 0.00 36.38 34.82 2q4g s VAL 43 CO 0.74 -0.09 0.49 0.21 -3.33 0.00 0.00 175.10 173.12 2q4g s ASN 44 N -0.24 -0.45 -0.07 3.54 2.47 -1.11 -5.03 114.94 114.05 2q4g s ASN 44 Ca -0.03 0.63 0.05 0.00 0.42 0.00 0.00 52.86 53.93 2q4g s ASN 44 Cb -0.03 0.67 -0.00 0.00 -1.45 0.00 0.00 41.25 40.44 2q4g s ASN 44 CO 0.00 -0.38 -0.21 -0.89 -3.72 0.00 0.00 177.10 171.90 2q4g s THR 45 N -0.65 1.79 -0.02 -5.21 2.01 -1.26 -1.27 115.64 111.02 2q4g s THR 45 Ca -0.07 -0.90 -0.00 0.00 0.31 0.00 0.00 61.69 61.03 2q4g s THR 45 Cb -0.03 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2q4g s THR 45 CO 0.04 0.50 0.04 -0.36 -0.69 0.00 0.00 174.62 174.15 2q4g s PHE 46 N 0.11 3.19 -0.18 4.92 0.08 -0.75 -4.31 117.98 121.04 2q4g s PHE 46 Ca -0.09 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.08 2q4g s PHE 46 Cb -0.14 -1.72 -0.02 0.00 -0.57 0.00 0.00 43.02 40.56 2q4g s PHE 46 CO 0.05 0.51 -0.02 0.08 -0.10 0.00 0.00 175.22 175.73 2q4g s VAL 47 N -1.10 3.82 -1.15 -0.44 1.01 0.85 -1.34 120.40 122.06 2q4g s VAL 47 Ca 0.20 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.76 2q4g s VAL 47 Cb -0.12 -2.71 0.26 0.00 0.00 0.00 0.00 36.38 33.82 2q4g s VAL 47 CO 0.10 0.45 1.64 1.41 0.00 0.00 0.00 175.10 178.71 2q4g n HIS 48 N 4.04 2.46 -3.68 5.22 -0.00 0.16 -2.50 115.22 120.92 2q4g n HIS 48 Ca -0.17 -2.64 -0.11 0.00 -0.00 0.00 0.00 57.72 54.80 2q4g n HIS 48 Cb 0.52 -1.49 -0.05 0.00 -0.00 0.00 0.00 29.99 28.96 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 -1.75 0.99 0.39 -0.41 0.41 -1.25 -4.48 118.70 112.60 2q4g s GLU 49 Ca 0.34 -0.65 -0.27 0.00 -0.41 0.00 0.00 54.97 53.99 2q4g s GLU 49 Cb 0.07 0.43 -0.10 0.00 -1.78 0.00 0.00 34.13 32.75 2q4g s GLU 49 CO 0.07 -0.36 1.38 -2.14 -0.49 0.00 0.00 175.26 173.72 2q4g s PRO 50 N -3.42 4.04 0.28 0.39 0.02 -1.26 -4.02 135.00 131.03 2q4g s PRO 50 Ca 0.01 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.39 2q4g s PRO 50 Cb 0.01 -2.87 0.65 0.00 0.02 0.00 0.00 34.50 32.31 2q4g s PRO 50 CO -0.09 -0.50 1.72 1.25 -0.33 0.00 0.00 177.00 179.05 2q4g h LEU 51 N 2.85 0.39 -1.55 -5.54 5.85 -1.98 0.21 115.31 115.54 2q4g h LEU 51 Ca -0.50 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.41 2q4g h LEU 51 Cb 1.24 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 2q4g h LEU 51 CO 0.63 0.08 0.39 1.62 -0.34 0.00 0.00 178.44 180.82 2q4g h VAL 52 N 0.47 0.99 -0.40 1.05 3.04 -1.98 0.41 116.25 119.84 2q4g h VAL 52 Ca 0.52 -0.19 -0.10 0.00 -1.01 0.00 0.00 66.70 65.91 2q4g h VAL 52 Cb 0.90 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2q4g h VAL 52 CO -0.47 0.10 -0.16 0.44 -1.01 0.00 0.00 177.57 176.48 2q4g h ASP 53 N 0.56 0.83 0.74 3.17 5.19 -0.94 -1.80 116.42 124.16 2q4g h ASP 53 Ca 0.25 -0.39 -0.15 0.00 -0.62 0.00 0.00 57.03 56.13 2q4g h ASP 53 Cb 0.29 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2q4g h ASP 53 CO -0.07 1.03 -0.69 0.58 -3.12 0.00 0.00 179.24 176.97 2q4g h VAL 54 N 0.62 1.46 -0.11 -1.35 2.07 -0.84 -3.16 116.25 114.95 2q4g h VAL 54 Ca 0.09 -2.39 -0.11 0.00 0.82 0.00 0.00 66.70 65.11 2q4g h VAL 54 Cb 0.70 2.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2q4g h VAL 54 CO 0.05 0.68 -0.43 1.56 0.02 0.00 0.00 177.57 179.45 2q4g h GLN 55 N 0.00 0.25 0.00 1.57 4.20 0.00 -2.96 115.11 118.18 2q4g h GLN 55 Ca -0.01 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 2q4g h GLN 55 Cb 1.25 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.02 2q4g h GLN 55 CO 0.09 0.64 -0.20 -0.91 -0.67 0.00 0.00 178.83 177.78 2q4g h ASN 56 N 0.21 0.00 -0.17 1.46 2.35 -1.29 -2.43 115.58 115.71 2q4g h ASN 56 Ca 0.02 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2q4g h ASN 56 Cb 0.85 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 2q4g h ASN 56 CO 0.07 0.20 0.16 0.58 -1.65 0.00 0.00 177.43 176.79 2q4g h VAL 57 N 0.00 0.59 0.00 2.81 2.07 -1.58 0.42 116.25 120.56 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 0.61 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2q4g h VAL 57 CO 0.03 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.62 2q4g n PHE 59 N -2.43 0.02 -0.43 0.00 3.72 0.14 -5.02 117.46 113.46 2q4g n PHE 59 Ca -0.01 -0.23 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 2q4g n PHE 59 Cb 0.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 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 -0.15 3.37 -1.80 -1.08 6.02 -0.11 -4.95 117.38 118.67 2q4g n GLN 60 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 2q4g n GLN 60 Cb 0.13 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.36 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 1.67 4.16 0.32 -1.09 2.12 -1.17 -4.86 118.70 119.85 2q4g s GLU 61 Ca 0.00 2.50 -0.27 0.00 0.36 0.00 0.00 54.97 57.56 2q4g s GLU 61 Cb 0.00 -3.52 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 2q4g s GLU 61 CO 0.00 -0.79 1.03 0.21 -0.54 0.00 0.00 175.26 175.18 2q4g s LYS 62 N 2.47 4.50 0.26 4.30 2.20 -1.26 -0.28 119.74 131.93 2q4g s LYS 62 Ca 0.78 1.58 -0.12 0.00 -0.36 0.00 0.00 55.97 57.84 2q4g s LYS 62 Cb -0.44 -2.92 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2q4g s LYS 62 CO 0.34 0.15 0.50 0.14 -0.36 0.00 0.00 175.35 176.12 2q4g s VAL 63 N -1.41 0.00 0.07 4.02 -7.23 0.91 -4.79 120.40 111.97 2q4g s VAL 63 Ca 0.49 -1.39 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2q4g s VAL 63 Cb -0.26 -2.26 -0.06 0.00 0.56 0.00 0.00 36.38 34.36 2q4g s VAL 63 CO 0.32 0.00 0.46 -0.89 -0.31 0.00 0.00 175.10 174.68 2q4g s THR 64 N -3.86 4.97 0.59 5.32 2.01 -1.26 -0.24 115.64 123.17 2q4g s THR 64 Ca 0.22 0.77 -0.14 0.00 0.31 0.00 0.00 61.69 62.86 2q4g s THR 64 Cb -0.01 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2q4g s THR 64 CO 0.10 0.41 1.02 0.00 -0.69 0.00 0.00 174.62 175.47 2q4g h LYS 66 N 0.15 0.25 0.00 0.00 3.64 -1.92 -0.64 116.57 118.04 2q4g h LYS 66 Ca -0.45 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 58.91 2q4g h LYS 66 Cb 1.20 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 2q4g h LYS 66 CO 0.60 0.16 -0.03 -2.95 -2.27 0.00 0.00 179.45 174.97 2q4g h ASN 67 N 0.25 0.00 0.00 4.20 -1.07 -2.00 -3.46 115.58 113.51 2q4g h ASN 67 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.71 2q4g h ASN 67 Cb 0.53 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.78 2q4g h ASN 67 CO -0.44 0.03 0.00 0.61 0.07 0.00 0.00 177.43 177.70 2q4g n GLY 68 N -1.40 0.90 3.76 9.14 0.00 -0.25 -5.10 105.19 112.24 2q4g n GLY 68 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.21 4.61 -1.24 1.61 -1.52 -1.26 -4.86 119.66 116.79 2q4g s GLN 69 Ca 0.00 1.84 -0.15 0.00 -1.95 0.00 0.00 55.36 55.10 2q4g s GLN 69 Cb 0.00 -3.18 0.14 0.00 -0.22 0.00 0.00 33.01 29.75 2q4g s GLN 69 CO 0.00 0.17 1.53 0.41 -0.25 0.00 0.00 175.29 177.16 2q4g n GLY 70 N 1.17 3.19 0.00 3.09 0.00 -1.26 -2.75 105.19 108.62 2q4g n GLY 70 Ca -0.01 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.15 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 6.37 0.00 -4.87 1.61 6.94 -1.26 -5.06 115.26 118.99 2q4g n ASN 71 Ca 0.40 0.00 -0.25 0.00 -0.02 0.00 0.00 54.58 54.71 2q4g n ASN 71 Cb 0.43 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.83 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 -2.69 -0.09 -0.10 0.00 2.02 0.01 -0.06 117.35 116.44 2q4g s TYR 73 Ca 0.38 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 2q4g s TYR 73 Cb -0.01 0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.54 2q4g s TYR 73 CO 0.23 -0.16 -0.12 0.21 -1.57 0.00 0.00 175.55 174.13 2q4g s LYS 74 N -0.48 3.08 0.70 -0.62 2.20 0.61 -1.28 119.74 123.96 2q4g s LYS 74 Ca -0.06 -0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 54.76 2q4g s LYS 74 Cb -0.04 -2.57 0.02 0.00 -1.51 0.00 0.00 37.83 33.73 2q4g s LYS 74 CO 0.01 0.39 1.10 -1.54 -0.36 0.00 0.00 175.35 174.94 2q4g s SER 75 N -0.09 4.89 0.14 1.43 1.04 -0.39 -3.02 113.70 117.70 2q4g s SER 75 Ca -0.01 1.91 -0.08 0.00 0.48 0.00 0.00 55.95 58.24 2q4g s SER 75 Cb -0.14 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2q4g s SER 75 CO 0.03 -1.77 1.41 0.78 0.98 0.00 0.00 173.24 174.67 2q4g h ASN 76 N -0.45 0.82 -2.66 7.02 2.35 -1.96 -3.44 115.58 117.26 2q4g h ASN 76 Ca -0.45 -0.47 -0.61 0.00 -0.55 0.00 0.00 56.30 54.22 2q4g h ASN 76 Cb 1.24 -0.24 -0.13 0.00 0.05 0.00 0.00 38.32 39.24 2q4g h ASN 76 CO 0.53 1.24 -0.72 -0.55 -1.65 0.00 0.00 177.43 176.28 2q4g s SER 77 N -6.98 4.09 -0.37 5.81 0.15 -1.26 -5.08 113.70 110.06 2q4g s SER 77 Ca -0.09 -0.73 -0.29 0.00 0.70 0.00 0.00 55.95 55.54 2q4g s SER 77 Cb 0.10 -0.61 0.02 0.00 -1.71 0.00 0.00 66.02 63.82 2q4g s SER 77 CO 0.88 0.07 1.19 -0.94 1.20 0.00 0.00 173.24 175.63 2q4g s SER 78 N -3.17 6.71 0.52 5.45 1.04 -1.26 -4.37 113.70 118.62 2q4g s SER 78 Ca 0.27 0.89 -0.09 0.00 0.48 0.00 0.00 55.95 57.51 2q4g s SER 78 Cb -0.07 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.46 2q4g s SER 78 CO 0.16 -1.11 0.88 -0.04 0.98 0.00 0.00 173.24 174.11 2q4g s MET 79 N 4.17 3.63 -0.54 4.02 -1.94 0.24 -4.46 119.30 124.43 2q4g s MET 79 Ca 0.51 0.49 -0.28 0.00 -1.71 0.00 0.00 55.69 54.70 2q4g s MET 79 Cb -0.12 -2.26 0.03 0.00 2.01 0.00 0.00 34.83 34.49 2q4g s MET 79 CO 0.24 -0.31 1.14 -1.01 -0.01 0.00 0.00 175.02 175.08 2q4g s HIS 80 N -2.82 2.70 0.41 -0.03 3.76 -1.26 -0.68 115.29 117.37 2q4g s HIS 80 Ca 0.51 0.47 0.05 0.00 -0.15 0.00 0.00 55.06 55.94 2q4g s HIS 80 Cb -0.10 -4.43 -0.06 0.00 1.11 0.00 0.00 32.58 29.10 2q4g s HIS 80 CO 0.45 -1.45 0.03 0.96 -0.85 0.00 0.00 174.74 173.88 2q4g s ILE 81 N 4.67 1.49 -0.06 0.60 -4.36 0.13 0.37 121.20 124.03 2q4g s ILE 81 Ca 0.43 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2q4g s ILE 81 Cb -0.08 -2.71 0.03 0.00 1.25 0.00 0.00 42.46 40.95 2q4g s ILE 81 CO 0.27 0.00 -0.02 -0.89 0.24 0.00 0.00 174.94 174.54 2q4g s THR 82 N -2.94 0.44 0.04 8.37 2.01 -0.45 -0.03 115.64 123.10 2q4g s THR 82 Ca 0.28 0.03 -0.15 0.00 0.31 0.00 0.00 61.69 62.16 2q4g s THR 82 Cb 0.07 -0.55 -0.06 0.00 0.01 0.00 0.00 72.50 71.97 2q4g s THR 82 CO 0.14 0.25 0.45 -1.81 -0.69 0.00 0.00 174.62 172.96 2q4g s ASP 83 N 1.59 6.82 -0.18 3.53 1.01 0.31 -1.82 116.67 127.94 2q4g s ASP 83 Ca -0.01 1.00 -0.00 0.00 0.71 0.00 0.00 52.55 54.25 2q4g s ASP 83 Cb -0.13 -2.26 0.01 0.00 1.01 0.00 0.00 42.92 41.55 2q4g s ASP 83 CO -0.04 0.26 -0.15 0.00 0.21 0.00 0.00 175.17 175.45 2q4g s ARG 85 N 1.23 3.14 0.19 0.00 3.52 0.27 -2.75 118.95 124.55 2q4g s ARG 85 Ca 0.03 -0.81 -0.31 0.00 -0.13 0.00 0.00 55.73 54.51 2q4g s ARG 85 Cb -0.14 -2.45 -0.10 0.00 -1.56 0.00 0.00 34.95 30.70 2q4g s ARG 85 CO -0.08 0.12 1.48 -1.17 -0.81 0.00 0.00 175.30 174.84 2q4g s LEU 86 N 0.53 4.38 0.37 -0.88 2.96 -0.83 0.16 118.68 125.37 2q4g s LEU 86 Ca -0.12 2.59 -0.25 0.00 -0.22 0.00 0.00 54.13 56.12 2q4g s LEU 86 Cb -0.17 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.83 2q4g s LEU 86 CO 0.04 -0.74 1.02 0.42 -1.32 0.00 0.00 176.35 175.78 2q4g s THR 87 N 0.61 3.85 -1.16 3.68 -4.23 0.41 -4.88 115.64 113.92 2q4g s THR 87 Ca 0.64 1.46 0.00 0.00 -1.18 0.00 0.00 61.69 62.61 2q4g s THR 87 Cb -0.42 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.64 2q4g s THR 87 CO 0.36 0.05 0.42 0.59 -0.54 0.00 0.00 174.62 175.50 2q4g n ASN 88 N 0.16 0.60 0.00 3.99 3.02 -1.26 -1.83 115.26 119.94 2q4g n ASN 88 Ca 0.04 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.15 2q4g n ASN 88 Cb 0.49 -0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.15 -1.31 3.76 7.41 0.00 -1.26 -5.05 105.19 108.88 2q4g n GLY 89 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.01 7.11 -0.15 1.61 0.01 -0.76 -5.02 113.70 116.48 2q4g s SER 90 Ca 0.00 2.36 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 2q4g s SER 90 Cb 0.00 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.66 2q4g s SER 90 CO 0.00 -0.29 0.08 -0.60 0.41 0.00 0.00 173.24 172.84 2q4g s ARG 91 N -1.20 0.05 0.23 12.44 3.52 -1.24 -4.99 118.95 127.75 2q4g s ARG 91 Ca 0.48 -0.01 -0.30 0.00 -0.13 0.00 0.00 55.73 55.77 2q4g s ARG 91 Cb -0.34 -1.61 -0.15 0.00 -1.56 0.00 0.00 34.95 31.29 2q4g s ARG 91 CO 0.43 -0.61 0.95 0.98 -0.81 0.00 0.00 175.30 176.24 2q4g n TYR 92 N 5.28 0.90 0.64 5.12 9.36 -1.26 -0.06 117.16 137.15 2q4g n TYR 92 Ca -0.06 0.76 0.04 0.00 3.32 0.00 0.00 57.90 61.96 2q4g n TYR 92 Cb 0.49 -2.19 0.15 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 1.09 2.14 -1.57 2.98 -0.04 -1.26 -4.96 135.00 133.38 2q4g n PRO 93 Ca 0.13 -1.22 -0.29 0.00 -0.04 0.00 0.00 63.50 62.08 2q4g n PRO 93 Cb 0.28 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 32.18 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 0.35 6.83 -4.71 3.54 3.02 0.92 -4.97 115.26 120.23 2q4g n ASN 94 Ca 0.11 -3.11 -0.42 0.00 -0.03 0.00 0.00 54.58 51.12 2q4g n ASN 94 Cb 0.44 -1.29 -0.01 0.00 -0.61 0.00 0.00 39.78 38.31 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 -0.87 0.44 0.19 0.00 0.00 -1.26 -4.99 121.76 115.26 2q4g s ALA 96 Ca 0.57 0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.72 2q4g s ALA 96 Cb -0.56 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 2q4g s ALA 96 CO 0.60 -0.09 -0.22 0.71 0.00 0.00 0.00 175.76 176.76 2q4g s TYR 97 N 1.07 2.13 -0.20 0.00 1.51 -1.26 -0.45 117.35 120.15 2q4g s TYR 97 Ca -0.09 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 2q4g s TYR 97 Cb -0.14 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2q4g s TYR 97 CO -0.01 0.45 0.10 0.50 -1.11 0.00 0.00 175.55 175.48 2q4g s ARG 98 N -2.75 4.05 -0.25 -0.62 3.52 0.12 -4.68 118.95 118.35 2q4g s ARG 98 Ca 0.19 -0.30 -0.15 0.00 -0.13 0.00 0.00 55.73 55.34 2q4g s ARG 98 Cb -0.07 -3.35 -0.04 0.00 -1.56 0.00 0.00 34.95 29.93 2q4g s ARG 98 CO 0.09 0.21 0.39 0.99 -0.81 0.00 0.00 175.30 176.18 2q4g s THR 99 N 0.58 5.17 -0.35 4.11 2.01 -1.26 -0.57 115.64 125.33 2q4g s THR 99 Ca 0.06 0.64 0.01 0.00 0.31 0.00 0.00 61.69 62.71 2q4g s THR 99 Cb -0.12 -3.72 0.11 0.00 0.01 0.00 0.00 72.50 68.78 2q4g s THR 99 CO 0.01 0.18 0.11 -0.44 -0.69 0.00 0.00 174.62 173.79 2q4g s SER 100 N 1.43 4.21 0.28 3.53 0.01 0.28 -4.94 113.70 118.51 2q4g s SER 100 Ca 0.17 -2.03 -0.25 0.00 1.31 0.00 0.00 55.95 55.15 2q4g s SER 100 Cb -0.15 -1.17 -0.09 0.00 0.21 0.00 0.00 66.02 64.82 2q4g s SER 100 CO 0.09 -0.37 0.88 -2.16 0.41 0.00 0.00 173.24 172.09 2q4g s PRO 101 N 1.10 4.52 0.18 12.44 0.04 -1.26 0.12 135.00 152.13 2q4g s PRO 101 Ca 0.12 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.14 2q4g s PRO 101 Cb -0.19 -2.88 0.07 0.00 0.04 0.00 0.00 34.50 31.54 2q4g s PRO 101 CO -0.15 0.34 1.00 -1.59 0.04 0.00 0.00 177.00 176.64 2q4g s LYS 102 N -1.93 1.32 -0.23 4.56 -2.85 0.96 -4.93 119.74 116.64 2q4g s LYS 102 Ca 0.47 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.64 2q4g s LYS 102 Cb -0.19 0.40 0.04 0.00 -2.06 0.00 0.00 37.83 36.01 2q4g s LYS 102 CO 0.24 -0.61 -0.13 -1.21 0.10 0.00 0.00 175.35 173.73 2q4g s GLU 103 N -2.58 2.69 0.08 1.78 2.02 -1.26 0.19 118.70 121.61 2q4g s GLU 103 Ca 0.18 -1.05 -0.11 0.00 0.02 0.00 0.00 54.97 54.01 2q4g s GLU 103 Cb -0.02 -2.80 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2q4g s GLU 103 CO 0.04 -0.39 0.24 1.03 0.02 0.00 0.00 175.26 176.21 2q4g s ARG 104 N 1.23 0.85 0.61 1.61 1.81 0.14 -4.85 118.95 120.36 2q4g s ARG 104 Ca -0.01 -0.78 -0.13 0.00 -1.72 0.00 0.00 55.73 53.08 2q4g s ARG 104 Cb -0.16 0.35 -0.03 0.00 -0.45 0.00 0.00 34.95 34.66 2q4g s ARG 104 CO -0.08 -0.28 1.03 -1.01 -0.68 0.00 0.00 175.30 174.29 2q4g s HIS 105 N -3.40 3.30 0.23 -0.53 3.76 -0.58 0.81 115.29 118.87 2q4g s HIS 105 Ca 0.01 1.42 0.10 0.00 -0.15 0.00 0.00 55.06 56.43 2q4g s HIS 105 Cb 0.02 -2.84 -0.04 0.00 1.11 0.00 0.00 32.58 30.83 2q4g s HIS 105 CO -0.09 -0.87 -0.08 0.96 -0.85 0.00 0.00 174.74 173.82 2q4g s ILE 106 N -2.86 3.19 -0.23 0.60 -4.36 -1.26 -0.56 121.20 115.72 2q4g s ILE 106 Ca 0.59 -1.85 -0.00 0.00 -0.26 0.00 0.00 60.65 59.12 2q4g s ILE 106 Cb -0.13 -2.64 0.06 0.00 1.25 0.00 0.00 42.46 41.01 2q4g s ILE 106 CO 0.46 -0.25 -0.01 -0.63 0.24 0.00 0.00 174.94 174.75 2q4g s ILE 107 N -2.04 1.17 0.32 8.37 1.01 0.92 -1.26 121.20 129.68 2q4g s ILE 107 Ca 0.28 -1.03 0.10 0.00 0.00 0.00 0.00 60.65 59.99 2q4g s ILE 107 Cb -0.07 -1.55 -0.05 0.00 0.01 0.00 0.00 42.46 40.79 2q4g s ILE 107 CO 0.17 -0.18 -0.04 0.68 0.00 0.00 0.00 174.94 175.56 2q4g s VAL 108 N 1.55 2.68 -0.07 2.92 -7.23 -0.40 0.24 120.40 120.09 2q4g s VAL 108 Ca -0.03 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.06 2q4g s VAL 108 Cb -0.18 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.03 2q4g s VAL 108 CO -0.08 -0.26 -0.03 0.00 -0.31 0.00 0.00 175.10 174.42 2q4g s ALA 109 N -2.50 3.15 0.02 1.32 0.00 0.05 -0.81 121.76 122.99 2q4g s ALA 109 Ca 0.33 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.49 2q4g s ALA 109 Cb -0.02 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.73 2q4g s ALA 109 CO 0.18 0.59 -0.15 0.00 0.00 0.00 0.00 175.76 176.38 2q4g s GLU 111 N -0.80 1.84 1.27 0.00 2.02 -0.51 -4.86 118.70 117.66 2q4g s GLU 111 Ca 0.04 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 53.60 2q4g s GLU 111 Cb -0.07 0.51 0.00 0.00 0.10 0.00 0.00 34.13 34.67 2q4g s GLU 111 CO 0.01 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 174.90 2q4g n GLY 112 N -0.48 -1.92 3.00 -1.39 0.00 -1.26 -2.28 105.19 100.86 2q4g n GLY 112 Ca -0.03 -1.41 -0.10 0.00 0.00 0.00 0.00 46.02 44.48 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 -4.00 0.21 0.62 1.61 0.15 -1.26 -3.40 113.70 107.63 2q4g s SER 113 Ca 0.00 0.42 -0.18 0.00 0.70 0.00 0.00 55.95 56.89 2q4g s SER 113 Cb 0.00 1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 65.37 2q4g s SER 113 CO 0.00 -0.28 1.25 -2.16 1.20 0.00 0.00 173.24 173.25 2q4g s PRO 114 N 2.53 2.79 -0.02 5.44 0.04 -1.26 -5.08 135.00 139.44 2q4g s PRO 114 Ca 0.08 1.93 -0.30 0.00 0.04 0.00 0.00 61.00 62.75 2q4g s PRO 114 Cb -0.14 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.44 2q4g s PRO 114 CO -0.14 -1.37 1.67 -0.47 0.04 0.00 0.00 177.00 176.73 2q4g s TYR 115 N -1.50 2.02 0.10 0.56 6.04 -1.22 -4.91 117.35 118.44 2q4g s TYR 115 Ca 0.80 0.18 -0.10 0.00 0.04 0.00 0.00 57.07 57.98 2q4g s TYR 115 Cb -0.34 -3.94 0.00 0.00 -1.04 0.00 0.00 41.96 36.64 2q4g s TYR 115 CO 0.36 -3.96 0.24 0.14 -1.54 0.00 0.00 175.55 170.79 2q4g s VAL 116 N 3.78 0.12 0.26 3.14 -7.23 -0.96 -4.92 120.40 114.58 2q4g s VAL 116 Ca 0.74 -1.08 -0.31 0.00 -1.81 0.00 0.00 61.98 59.52 2q4g s VAL 116 Cb -0.35 -1.35 -0.12 0.00 0.56 0.00 0.00 36.38 35.11 2q4g s VAL 116 CO 0.31 -0.55 1.62 -2.65 -0.31 0.00 0.00 175.10 173.52 2q4g n PRO 117 N -0.11 2.65 -0.21 4.82 -0.02 -1.26 -1.43 135.00 139.44 2q4g n PRO 117 Ca -0.14 0.95 0.03 0.00 -2.02 0.00 0.00 63.50 62.31 2q4g n PRO 117 Cb 0.63 -2.74 0.04 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 2.75 0.62 0.00 -1.45 0.24 0.50 -4.48 118.33 116.51 2q4g n VAL 118 Ca 0.11 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2q4g n VAL 118 Cb 0.35 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 2q4g n VAL 118 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 2q4g n HIS 119 N -0.44 0.00 -3.31 6.34 -0.00 -1.19 -4.91 115.22 111.71 2q4g n HIS 119 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.34 2q4g n HIS 119 Cb 0.58 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.48 2q4g n HIS 119 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2q4g s PHE 120 N -0.42 3.18 -0.14 1.57 5.36 -1.26 -0.77 117.98 125.50 2q4g s PHE 120 Ca 0.00 -0.05 -0.17 0.00 -0.96 0.00 0.00 56.93 55.75 2q4g s PHE 120 Cb 0.00 -2.85 -0.24 0.00 -0.34 0.00 0.00 43.02 39.59 2q4g s PHE 120 CO 0.00 -0.56 0.42 0.22 -1.46 0.00 0.00 175.22 173.84 2q4g h ASP 121 N 8.55 0.25 -5.82 6.13 -0.00 -0.55 -3.49 116.42 121.50 2q4g h ASP 121 Ca -0.28 -0.77 0.34 0.00 -0.00 0.00 0.00 57.03 56.32 2q4g h ASP 121 Cb 1.13 -0.08 -0.12 0.00 -0.00 0.00 0.00 39.33 40.25 2q4g h ASP 121 CO 0.76 1.60 0.86 0.00 -0.00 0.00 0.00 179.24 182.45 2q4g s ALA 122 N -2.44 -2.29 0.06 -0.78 0.00 -0.86 -4.94 121.76 110.51 2q4g s ALA 122 Ca -0.23 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.54 2q4g s ALA 122 Cb 0.05 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.48 2q4g s ALA 122 CO 0.71 -1.06 -0.22 -1.54 0.00 0.00 0.00 175.76 173.65 2q4g s SER 123 N -3.00 2.65 -0.00 0.00 1.04 -1.26 -0.06 113.70 113.07 2q4g s SER 123 Ca 0.14 -0.58 0.07 0.00 0.48 0.00 0.00 55.95 56.07 2q4g s SER 123 Cb 0.05 -0.21 -0.02 0.00 0.10 0.00 0.00 66.02 65.95 2q4g s SER 123 CO -0.04 0.16 -0.22 -0.69 0.98 0.00 0.00 173.24 173.42 2q4g s VAL 124 N -0.89 1.77 -0.72 5.02 1.01 0.28 -4.94 120.40 121.92 2q4g s VAL 124 Ca 0.08 -1.02 -0.08 0.00 0.00 0.00 0.00 61.98 60.96 2q4g s VAL 124 Cb -0.09 -1.48 0.19 0.00 0.00 0.00 0.00 36.38 34.99 2q4g s VAL 124 CO 0.03 0.44 0.60 -0.70 0.00 0.00 0.00 175.10 175.46 2q4g s GLU 125 N -0.69 3.06 0.00 2.72 2.12 -1.26 -1.53 118.70 123.11 2q4g s GLU 125 Ca 0.09 -2.53 0.06 0.00 0.36 0.00 0.00 54.97 52.95 2q4g s GLU 125 Cb -0.09 -4.05 0.04 0.00 0.26 0.00 0.00 34.13 30.29 2q4g s GLU 125 CO -0.00 -1.23 0.65 -0.40 -0.54 0.00 0.00 175.26 173.74 2q4g n ASP 126 N 3.66 1.40 -0.71 -1.70 3.85 -1.26 -5.10 116.55 116.69 2q4g n ASP 126 Ca 0.11 -1.20 0.09 0.00 -0.71 0.00 0.00 54.79 53.08 2q4g n ASP 126 Cb 0.42 0.06 0.07 0.00 -1.35 0.00 0.00 41.12 40.32 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65