#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 4.48 0.46 4.31 1.04 -1.26 -4.79 113.70 117.94 2q4g s SER 3 Ca 0.00 1.71 0.17 0.00 0.48 0.00 0.00 55.95 58.30 2q4g s SER 3 Cb 0.00 -2.43 1.09 0.00 0.10 0.00 0.00 66.02 64.77 2q4g s SER 3 CO 0.00 -2.04 2.01 0.03 0.98 0.00 0.00 173.24 174.22 2q4g h ARG 4 N -1.13 0.00 -0.23 4.02 3.08 -1.96 0.28 114.38 118.43 2q4g h ARG 4 Ca -0.45 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.42 2q4g h ARG 4 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2q4g h ARG 4 CO 0.53 0.17 -0.57 0.00 -1.07 0.00 0.00 179.97 179.04 2q4g h ALA 5 N 1.83 0.38 0.00 0.04 0.00 -1.88 0.22 119.26 119.85 2q4g h ALA 5 Ca -0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 2q4g h ALA 5 Cb 0.32 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2q4g h ALA 5 CO 0.02 0.61 -0.09 0.87 0.00 0.00 0.00 179.25 180.66 2q4g h LYS 6 N 0.55 0.00 -0.26 0.00 1.57 -1.75 -0.20 116.57 116.47 2q4g h LYS 6 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 2q4g h LYS 6 Cb 1.18 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 2q4g h LYS 6 CO 0.12 0.09 -0.22 -0.22 -0.57 0.00 0.00 179.45 178.66 2q4g h LYS 7 N 0.00 0.62 -0.49 3.15 3.11 -0.04 0.18 116.57 123.10 2q4g h LYS 7 Ca -0.00 -0.31 -0.11 0.00 -2.81 0.00 0.00 60.65 57.42 2q4g h LYS 7 Cb 0.85 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.07 2q4g h LYS 7 CO 0.01 0.90 -0.14 0.35 -2.81 0.00 0.00 179.45 177.77 2q4g h PHE 8 N 0.34 1.05 0.05 1.91 3.04 -0.14 -2.04 116.94 121.15 2q4g h PHE 8 Ca 0.05 -0.22 -0.00 0.00 3.98 0.00 0.00 57.97 61.78 2q4g h PHE 8 Cb 0.77 -0.26 0.00 0.00 2.56 0.00 0.00 35.95 39.02 2q4g h PHE 8 CO 0.07 1.00 -0.02 1.96 -2.02 0.00 0.00 178.31 179.30 2q4g h GLN 9 N 0.83 -0.07 -0.46 1.11 4.20 -0.83 -0.74 115.11 119.14 2q4g h GLN 9 Ca 0.13 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.88 2q4g h GLN 9 Cb 0.68 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.43 2q4g h GLN 9 CO 0.05 0.09 0.22 -0.09 -0.67 0.00 0.00 178.83 178.43 2q4g h ARG 10 N -0.21 0.43 0.11 1.46 2.43 -0.84 -2.28 114.38 115.47 2q4g h ARG 10 Ca -0.01 -0.03 -0.27 0.00 -0.81 0.00 0.00 59.98 58.87 2q4g h ARG 10 Cb 0.18 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2q4g h ARG 10 CO 0.01 0.28 -1.21 1.96 -1.51 0.00 0.00 179.97 179.51 2q4g h GLN 11 N 0.44 0.23 0.00 0.20 4.20 -1.27 -3.41 115.11 115.50 2q4g h GLN 11 Ca 0.20 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.52 2q4g h GLN 11 Cb 0.13 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2q4g h GLN 11 CO -0.15 1.19 -0.12 0.72 -0.67 0.00 0.00 178.83 179.79 2q4g n HIS 12 N -3.51 0.00 -3.76 2.96 8.25 -0.29 -4.73 115.22 114.15 2q4g n HIS 12 Ca -0.07 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.03 2q4g n HIS 12 Cb 1.01 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 32.05 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 -1.20 3.97 -0.42 -0.41 -1.94 -0.86 -0.12 119.30 118.31 2q4g s MET 13 Ca 0.01 -0.16 0.08 0.00 -1.71 0.00 0.00 55.69 53.91 2q4g s MET 13 Cb 0.01 -3.35 0.35 0.00 2.01 0.00 0.00 34.83 33.85 2q4g s MET 13 CO 0.07 0.44 1.12 -3.47 -0.01 0.00 0.00 175.02 173.17 2q4g n ASP 14 N 3.05 -1.58 -0.23 3.03 4.64 -1.19 -4.80 116.55 119.47 2q4g n ASP 14 Ca -0.17 -3.23 -0.01 0.00 -1.38 0.00 0.00 54.79 50.00 2q4g n ASP 14 Cb 0.53 1.21 0.06 0.00 -1.04 0.00 0.00 41.12 41.87 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 2q4g h SER 15 N 2.74 -0.76 -0.04 1.67 0.02 -1.77 -2.95 113.55 112.45 2q4g h SER 15 Ca -0.12 0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 2q4g h SER 15 Cb 1.14 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 64.13 2q4g h SER 15 CO 0.15 -0.25 -0.36 0.44 -1.14 0.00 0.00 176.83 175.68 2q4g h ASP 16 N -0.04 0.56 -3.35 3.07 3.32 -1.90 -3.40 116.42 114.68 2q4g h ASP 16 Ca 0.31 -0.23 -0.57 0.00 0.02 0.00 0.00 57.03 56.56 2q4g h ASP 16 Cb 0.52 -0.16 0.17 0.00 0.22 0.00 0.00 39.33 40.08 2q4g h ASP 16 CO -0.70 0.87 -0.14 -1.54 -1.72 0.00 0.00 179.24 176.01 2q4g n SER 17 N -4.05 -0.20 -4.77 6.45 3.41 -1.11 -4.92 113.62 108.43 2q4g n SER 17 Ca -0.01 0.72 -0.37 0.00 -0.26 0.00 0.00 58.87 58.95 2q4g n SER 17 Cb 0.48 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.15 2q4g n SER 17 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2q4g s SER 18 N -1.32 5.89 0.16 4.04 0.15 -1.26 -4.96 113.70 116.40 2q4g s SER 18 Ca 0.72 2.39 -0.15 0.00 0.70 0.00 0.00 55.95 59.61 2q4g s SER 18 Cb -0.40 -2.61 0.03 0.00 -1.71 0.00 0.00 66.02 61.33 2q4g s SER 18 CO 0.51 -1.11 1.77 -0.65 1.20 0.00 0.00 173.24 174.96 2q4g h PRO 19 N 1.79 0.65 -3.95 5.44 0.11 -1.93 -3.34 132.00 130.77 2q4g h PRO 19 Ca -0.50 -0.07 -0.67 0.00 0.11 0.00 0.00 66.00 64.87 2q4g h PRO 19 Cb 1.26 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2q4g h PRO 19 CO 0.59 0.51 3.00 0.43 -0.21 0.00 0.00 178.00 182.32 2q4g n SER 20 N -4.68 4.25 -4.64 -2.05 7.64 -1.26 -4.84 113.62 108.04 2q4g n SER 20 Ca 0.02 -2.73 -0.48 0.00 1.01 0.00 0.00 58.87 56.68 2q4g n SER 20 Cb 0.08 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 61.75 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 5.98 2.54 -4.56 6.43 7.64 -1.26 -4.97 113.62 125.42 2q4g n SER 21 Ca 0.54 1.10 -0.29 0.00 1.01 0.00 0.00 58.87 61.23 2q4g n SER 21 Cb 0.36 -1.34 0.13 0.00 -1.01 0.00 0.00 64.21 62.35 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 0.74 3.92 0.62 6.43 1.04 -1.26 -4.78 113.70 120.42 2q4g s SER 22 Ca 0.81 0.48 0.40 0.00 0.48 0.00 0.00 55.95 58.12 2q4g s SER 22 Cb -0.78 -0.79 2.07 0.00 0.10 0.00 0.00 66.02 66.61 2q4g s SER 22 CO 0.41 -2.24 2.25 0.77 0.98 0.00 0.00 173.24 175.42 2q4g h SER 23 N -1.25 0.00 -0.31 7.02 4.64 -1.93 -2.51 113.55 119.20 2q4g h SER 23 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2q4g h SER 23 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2q4g h SER 23 CO 0.52 0.01 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 2q4g n THR 24 N -3.15 0.45 0.13 2.95 -2.24 -1.26 -4.50 114.28 106.67 2q4g n THR 24 Ca -0.02 -0.73 -0.13 0.00 -2.27 0.00 0.00 64.05 60.90 2q4g n THR 24 Cb 0.15 1.02 -0.06 0.00 -2.10 0.00 0.00 70.33 69.33 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 4.04 -0.44 -0.81 4.78 3.20 -1.81 -2.43 116.97 123.49 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 0.91 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.31 2q4g h TYR 25 CO 0.20 -0.26 0.48 0.00 -1.64 0.00 0.00 178.16 176.95 2q4g h ASN 27 N 1.12 0.22 0.03 0.00 2.35 -1.78 -0.36 115.58 117.16 2q4g h ASN 27 Ca 0.29 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2q4g h ASN 27 Cb -0.03 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.29 2q4g h ASN 27 CO -0.05 0.24 -0.01 -0.61 -1.65 0.00 0.00 177.43 175.34 2q4g h GLN 28 N 0.24 -0.04 -0.16 0.81 4.15 -0.83 -3.31 115.11 115.97 2q4g h GLN 28 Ca 0.06 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.35 2q4g h GLN 28 Cb 0.12 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2q4g h GLN 28 CO -0.00 0.63 -0.48 0.52 -1.93 0.00 0.00 178.83 177.57 2q4g h MET 29 N -0.93 0.42 -0.00 1.69 2.86 -0.55 -2.57 114.93 115.85 2q4g h MET 29 Ca -0.00 -0.23 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 2q4g h MET 29 Cb 0.69 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 2q4g h MET 29 CO 0.01 0.81 -0.21 0.52 1.06 0.00 0.00 176.91 179.09 2q4g h MET 30 N 0.33 0.00 0.02 1.72 2.86 -1.24 -2.18 114.93 116.45 2q4g h MET 30 Ca 0.02 -0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 2q4g h MET 30 Cb 0.97 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.63 2q4g h MET 30 CO 0.08 0.21 -0.01 -0.09 1.06 0.00 0.00 176.91 178.17 2q4g h ARG 31 N 0.00 -0.03 -0.71 1.72 9.65 -1.58 -2.62 114.38 120.82 2q4g h ARG 31 Ca -0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2q4g h ARG 31 Cb 0.37 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.93 2q4g h ARG 31 CO 0.03 0.56 0.42 0.00 2.80 0.00 0.00 179.97 183.78 2q4g h ARG 32 N -0.65 0.96 -0.89 0.20 3.08 -1.28 -2.74 114.38 113.07 2q4g h ARG 32 Ca -0.00 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 2q4g h ARG 32 Cb 0.61 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 2q4g h ARG 32 CO 0.01 0.67 0.03 0.54 -1.07 0.00 0.00 179.97 180.15 2q4g n ARG 33 N -4.39 2.14 -3.55 0.04 5.12 -0.84 -4.90 116.66 110.27 2q4g n ARG 33 Ca 0.07 -1.02 -0.26 0.00 -1.93 0.00 0.00 57.85 54.72 2q4g n ARG 33 Cb 0.07 -1.69 0.04 0.00 -1.16 0.00 0.00 32.46 29.72 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 0.17 -5.52 -1.12 0.55 5.03 -1.03 -4.77 115.26 108.56 2q4g n ASN 34 Ca 0.11 -0.55 0.07 0.00 0.87 0.00 0.00 54.58 55.08 2q4g n ASN 34 Cb 0.61 -4.41 0.28 0.00 -1.02 0.00 0.00 39.78 35.25 2q4g n ASN 34 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66 2q4g n MET 35 N -4.55 3.21 -1.70 3.52 2.81 -0.99 -4.40 117.12 115.02 2q4g n MET 35 Ca -0.01 -2.93 0.01 0.00 -1.81 0.00 0.00 57.70 52.96 2q4g n MET 35 Cb 0.56 -1.93 0.06 0.00 -0.71 0.00 0.00 33.22 31.20 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 -0.36 0.95 -3.77 2.03 -2.24 -1.25 -0.68 114.28 108.96 2q4g n THR 36 Ca 0.24 -2.18 -0.36 0.00 -2.27 0.00 0.00 64.05 59.48 2q4g n THR 36 Cb 0.98 0.64 -0.12 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.85 3.77 0.00 -0.78 -0.21 -1.26 -4.55 119.66 114.78 2q4g s GLN 37 Ca 0.35 -0.42 0.00 0.00 0.02 0.00 0.00 55.36 55.30 2q4g s GLN 37 Cb 0.37 -3.37 0.00 0.00 1.00 0.00 0.00 33.01 31.01 2q4g s GLN 37 CO -0.10 -0.11 0.00 0.41 -2.12 0.00 0.00 175.29 173.37 2q4g n GLY 38 N 4.71 1.97 3.11 3.09 0.00 -1.26 -4.82 105.19 112.00 2q4g n GLY 38 Ca -0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.45 -0.13 1.61 1.81 -1.26 -4.98 118.95 116.45 2q4g s ARG 39 Ca 0.00 -0.26 -0.29 0.00 -1.72 0.00 0.00 55.73 53.45 2q4g s ARG 39 Cb 0.00 0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.68 2q4g s ARG 39 CO 0.00 -0.11 1.11 0.00 -0.68 0.00 0.00 175.30 175.63 2q4g n LYS 41 N 5.60 2.44 -0.14 0.00 4.81 0.14 -4.90 118.16 126.11 2q4g n LYS 41 Ca 0.11 0.87 -0.10 0.00 -0.87 0.00 0.00 58.31 58.32 2q4g n LYS 41 Cb 0.47 -2.62 -0.01 0.00 0.02 0.00 0.00 35.03 32.88 2q4g n LYS 41 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 2q4g h PRO 42 N 5.02 0.70 -2.69 1.64 0.13 -1.92 -3.40 132.00 131.47 2q4g h PRO 42 Ca -0.46 -0.21 -0.12 0.00 -0.87 0.00 0.00 66.00 64.35 2q4g h PRO 42 Cb 1.24 -0.07 -0.26 0.00 0.13 0.00 0.00 31.00 32.04 2q4g h PRO 42 CO 0.82 0.76 -0.28 0.54 -0.23 0.00 0.00 178.00 179.61 2q4g s VAL 43 N -5.10 -0.02 0.02 1.56 0.11 -1.25 0.19 120.40 115.91 2q4g s VAL 43 Ca -0.13 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.98 2q4g s VAL 43 Cb 0.10 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.34 2q4g s VAL 43 CO 0.79 0.02 -0.03 0.21 -3.33 0.00 0.00 175.10 172.76 2q4g s ASN 44 N 0.97 0.27 -0.10 3.54 2.47 0.56 -4.95 114.94 117.71 2q4g s ASN 44 Ca -0.06 -0.44 0.03 0.00 0.42 0.00 0.00 52.86 52.81 2q4g s ASN 44 Cb -0.06 0.08 0.01 0.00 -1.45 0.00 0.00 41.25 39.82 2q4g s ASN 44 CO -0.08 -0.25 -0.19 -0.89 -3.72 0.00 0.00 177.10 171.97 2q4g s THR 45 N -1.26 1.69 -0.04 -5.21 2.01 -1.26 0.12 115.64 111.68 2q4g s THR 45 Ca -0.13 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 2q4g s THR 45 Cb -0.09 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2q4g s THR 45 CO -0.01 0.48 0.08 -0.36 -0.69 0.00 0.00 174.62 174.12 2q4g s PHE 46 N 0.61 3.33 -0.21 4.92 0.08 -0.86 -4.46 117.98 121.40 2q4g s PHE 46 Ca -0.14 0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.11 2q4g s PHE 46 Cb -0.17 -1.79 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2q4g s PHE 46 CO 0.04 0.57 0.07 0.08 -0.10 0.00 0.00 175.22 175.89 2q4g s VAL 47 N -1.11 4.70 -1.03 -0.44 1.01 0.83 -2.40 120.40 121.96 2q4g s VAL 47 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2q4g s VAL 47 Cb -0.12 -3.14 0.31 0.00 0.00 0.00 0.00 36.38 33.43 2q4g s VAL 47 CO 0.10 0.41 1.64 1.41 0.00 0.00 0.00 175.10 178.66 2q4g n HIS 48 N 3.99 2.60 -3.89 5.22 8.25 0.13 -3.18 115.22 128.34 2q4g n HIS 48 Ca -0.16 -2.64 -0.11 0.00 -0.26 0.00 0.00 57.72 54.55 2q4g n HIS 48 Cb 0.52 -1.18 -0.11 0.00 1.12 0.00 0.00 29.99 30.33 2q4g n HIS 48 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2q4g s GLU 49 N -3.65 0.29 0.72 -0.41 0.41 -1.26 -4.34 118.70 110.45 2q4g s GLU 49 Ca 0.36 -0.25 -0.16 0.00 -0.41 0.00 0.00 54.97 54.51 2q4g s GLU 49 Cb 0.13 0.12 -0.03 0.00 -1.78 0.00 0.00 34.13 32.57 2q4g s GLU 49 CO -0.03 -0.06 0.64 -2.30 -0.49 0.00 0.00 175.26 173.02 2q4g n PRO 50 N 2.11 0.36 -0.35 0.39 -0.02 -1.26 -4.44 135.00 131.78 2q4g n PRO 50 Ca -0.19 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.59 2q4g n PRO 50 Cb 0.57 -1.92 0.33 0.00 -0.02 0.00 0.00 33.50 32.46 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 -0.32 0.76 -1.37 2.45 5.85 -1.96 -1.43 115.31 119.29 2q4g h LEU 51 Ca -0.46 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 2q4g h LEU 51 Cb 1.35 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 2q4g h LEU 51 CO 0.44 0.24 -0.30 -0.37 -0.34 0.00 0.00 178.44 178.10 2q4g h VAL 52 N 0.73 1.05 -0.08 1.05 -1.51 -1.97 0.24 116.25 115.76 2q4g h VAL 52 Ca 0.59 -1.11 -0.21 0.00 -1.23 0.00 0.00 66.70 64.75 2q4g h VAL 52 Cb 0.97 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.76 2q4g h VAL 52 CO -0.40 0.30 -0.81 0.44 -1.23 0.00 0.00 177.57 175.86 2q4g h ASP 53 N 0.00 0.67 0.05 4.19 3.32 -1.58 0.84 116.42 123.90 2q4g h ASP 53 Ca -0.00 -0.47 -0.16 0.00 0.02 0.00 0.00 57.03 56.42 2q4g h ASP 53 Cb 0.60 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 2q4g h ASP 53 CO 0.04 1.24 -0.57 0.58 -1.72 0.00 0.00 179.24 178.81 2q4g h VAL 54 N 0.36 1.33 -0.11 -1.35 2.07 -1.33 -2.15 116.25 115.07 2q4g h VAL 54 Ca -0.06 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.53 2q4g h VAL 54 Cb 1.42 1.81 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 2q4g h VAL 54 CO 0.15 0.57 -0.40 1.56 0.02 0.00 0.00 177.57 179.47 2q4g h GLN 55 N 0.41 0.24 -0.80 1.57 4.20 -0.13 -2.27 115.11 118.33 2q4g h GLN 55 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2q4g h GLN 55 Cb 1.11 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.89 2q4g h GLN 55 CO 0.11 0.60 0.00 -1.71 -0.67 0.00 0.00 178.83 177.16 2q4g n ASN 56 N -4.04 0.91 -0.09 1.46 5.15 0.29 -2.94 115.26 115.99 2q4g n ASN 56 Ca -0.01 -1.48 -0.10 0.00 -0.60 0.00 0.00 54.58 52.39 2q4g n ASN 56 Cb 0.47 -0.37 -0.15 0.00 -0.53 0.00 0.00 39.78 39.20 2q4g n ASN 56 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2q4g n VAL 57 N 0.19 1.29 0.50 3.44 0.31 -0.85 -4.41 118.33 118.80 2q4g n VAL 57 Ca 0.00 -0.79 0.04 0.00 -0.01 0.00 0.00 64.34 63.58 2q4g n VAL 57 Cb 0.21 -0.53 0.24 0.00 -0.91 0.00 0.00 33.84 32.85 2q4g n VAL 57 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2q4g n PHE 59 N -1.00 1.65 0.00 0.00 3.72 -1.26 -5.01 117.46 115.56 2q4g n PHE 59 Ca 0.06 -1.94 0.00 0.00 -0.05 0.00 0.00 57.45 55.52 2q4g n PHE 59 Cb 0.03 -0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 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 -0.89 2.04 -2.17 -1.08 6.02 -1.03 -5.08 117.38 115.19 2q4g n GLN 60 Ca 0.35 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 2q4g n GLN 60 Cb 0.86 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.10 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 4.98 3.81 0.15 -1.09 2.12 -1.26 -4.92 118.70 122.49 2q4g s GLU 61 Ca 0.00 1.57 -0.30 0.00 0.36 0.00 0.00 54.97 56.60 2q4g s GLU 61 Cb 0.00 -4.01 -0.07 0.00 0.26 0.00 0.00 34.13 30.31 2q4g s GLU 61 CO 0.00 -1.27 1.21 0.21 -0.54 0.00 0.00 175.26 174.87 2q4g s LYS 62 N 4.59 4.47 0.02 4.30 2.20 -1.26 -1.87 119.74 132.19 2q4g s LYS 62 Ca 0.68 1.86 -0.09 0.00 -0.36 0.00 0.00 55.97 58.06 2q4g s LYS 62 Cb -0.23 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2q4g s LYS 62 CO 0.28 -0.14 0.19 0.14 -0.36 0.00 0.00 175.35 175.45 2q4g s VAL 63 N 0.26 0.09 -0.07 4.02 -7.23 -0.29 -4.94 120.40 112.25 2q4g s VAL 63 Ca 0.55 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 2q4g s VAL 63 Cb -0.32 -0.67 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 2q4g s VAL 63 CO 0.35 -0.42 1.25 -0.89 -0.31 0.00 0.00 175.10 175.07 2q4g s THR 64 N -1.91 4.18 1.33 5.32 2.01 -1.23 -1.42 115.64 123.91 2q4g s THR 64 Ca -0.10 1.50 -0.22 0.00 0.31 0.00 0.00 61.69 63.18 2q4g s THR 64 Cb -0.04 -3.96 0.34 0.00 0.01 0.00 0.00 72.50 68.84 2q4g s THR 64 CO -0.00 -0.03 0.76 0.00 -0.69 0.00 0.00 174.62 174.66 2q4g n LYS 66 N -5.12 0.00 0.00 0.00 4.81 -1.26 -4.19 118.16 112.41 2q4g n LYS 66 Ca 0.12 0.71 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 2q4g n LYS 66 Cb 0.53 -1.33 0.00 0.00 0.02 0.00 0.00 35.03 34.25 2q4g n LYS 66 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 2q4g n ASN 67 N -2.12 0.00 0.00 3.14 0.23 -1.26 -4.94 115.26 110.32 2q4g n ASN 67 Ca 0.00 0.03 0.00 0.00 -0.53 0.00 0.00 54.58 54.08 2q4g n ASN 67 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.04 0.00 3.66 4.83 0.00 -1.26 -5.07 105.19 107.31 2q4g n GLY 68 Ca 0.00 0.00 -0.43 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 -0.29 4.19 -0.04 1.61 -0.21 -1.26 -4.76 119.66 118.90 2q4g s GLN 69 Ca 0.00 1.73 0.03 0.00 0.02 0.00 0.00 55.36 57.14 2q4g s GLN 69 Cb 0.00 -3.82 0.15 0.00 1.00 0.00 0.00 33.01 30.34 2q4g s GLN 69 CO 0.00 -0.78 0.78 0.41 -2.12 0.00 0.00 175.29 173.58 2q4g n GLY 70 N 3.79 1.51 2.26 3.09 0.00 -1.26 -1.30 105.19 113.27 2q4g n GLY 70 Ca 0.15 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 0.09 6.45 -4.87 1.61 6.94 -1.25 -3.56 115.26 120.66 2q4g n ASN 71 Ca 0.05 -3.14 -0.21 0.00 -0.02 0.00 0.00 54.58 51.26 2q4g n ASN 71 Cb 0.39 -1.17 -0.03 0.00 -2.36 0.00 0.00 39.78 36.60 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 -2.35 0.02 -0.46 0.00 2.02 -0.55 -1.13 117.35 114.90 2q4g s TYR 73 Ca 0.43 0.28 -0.22 0.00 -0.37 0.00 0.00 57.07 57.19 2q4g s TYR 73 Cb -0.05 -0.40 0.03 0.00 -0.40 0.00 0.00 41.96 41.14 2q4g s TYR 73 CO 0.27 -0.18 0.76 0.21 -1.57 0.00 0.00 175.55 175.04 2q4g s LYS 74 N 1.93 3.34 0.25 -0.62 2.20 -0.78 -2.35 119.74 123.71 2q4g s LYS 74 Ca 0.02 -0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.07 2q4g s LYS 74 Cb -0.12 -3.97 -0.14 0.00 -1.51 0.00 0.00 37.83 32.09 2q4g s LYS 74 CO -0.03 -1.14 1.16 -1.13 -0.36 0.00 0.00 175.35 173.85 2q4g n SER 75 N 6.65 1.76 0.07 1.43 3.41 0.51 -4.00 113.62 123.45 2q4g n SER 75 Ca 0.01 1.16 -0.13 0.00 -0.26 0.00 0.00 58.87 59.65 2q4g n SER 75 Cb 0.48 -1.32 -0.05 0.00 -0.26 0.00 0.00 64.21 63.06 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 2.90 0.52 -3.45 4.04 4.21 -1.92 -3.42 115.58 118.46 2q4g h ASN 76 Ca -0.42 -0.42 -0.54 0.00 1.21 0.00 0.00 56.30 56.13 2q4g h ASN 76 Cb 1.32 -0.16 -0.04 0.00 -1.12 0.00 0.00 38.32 38.33 2q4g h ASN 76 CO 0.67 1.22 0.16 -0.55 -1.29 0.00 0.00 177.43 177.65 2q4g s SER 77 N -7.08 7.26 0.47 5.81 0.15 -1.26 -5.04 113.70 114.02 2q4g s SER 77 Ca -0.06 1.50 -0.22 0.00 0.70 0.00 0.00 55.95 57.88 2q4g s SER 77 Cb 0.09 -2.48 -0.07 0.00 -1.71 0.00 0.00 66.02 61.85 2q4g s SER 77 CO 0.87 0.07 1.13 -0.94 1.20 0.00 0.00 173.24 175.56 2q4g s SER 78 N -0.37 6.16 0.04 5.45 1.04 -1.26 -4.61 113.70 120.15 2q4g s SER 78 Ca 0.38 2.19 0.03 0.00 0.48 0.00 0.00 55.95 59.03 2q4g s SER 78 Cb -0.21 -2.59 -0.02 0.00 0.10 0.00 0.00 66.02 63.30 2q4g s SER 78 CO 0.24 -0.92 -0.10 -0.04 0.98 0.00 0.00 173.24 173.40 2q4g s MET 79 N -2.88 0.64 -0.08 4.02 -1.94 0.30 -4.87 119.30 114.50 2q4g s MET 79 Ca 0.65 -0.74 -0.30 0.00 -1.71 0.00 0.00 55.69 53.60 2q4g s MET 79 Cb -0.25 -0.53 -0.04 0.00 2.01 0.00 0.00 34.83 36.02 2q4g s MET 79 CO 0.30 0.12 1.53 -1.01 -0.01 0.00 0.00 175.02 175.95 2q4g s HIS 80 N -1.13 2.28 0.23 -0.03 3.76 -1.26 -0.79 115.29 118.35 2q4g s HIS 80 Ca -0.05 0.46 0.01 0.00 -0.15 0.00 0.00 55.06 55.33 2q4g s HIS 80 Cb -0.09 -3.79 -0.05 0.00 1.11 0.00 0.00 32.58 29.77 2q4g s HIS 80 CO 0.01 -3.17 0.07 0.96 -0.85 0.00 0.00 174.74 171.75 2q4g s ILE 81 N 3.75 0.58 -0.06 0.60 -4.36 0.16 0.17 121.20 122.03 2q4g s ILE 81 Ca 0.68 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 59.05 2q4g s ILE 81 Cb -0.30 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 40.97 2q4g s ILE 81 CO 0.25 -0.15 0.14 -0.89 0.24 0.00 0.00 174.94 174.53 2q4g s THR 82 N -3.74 -0.10 0.35 8.37 2.01 -1.01 -0.54 115.64 120.98 2q4g s THR 82 Ca 0.34 0.23 -0.11 0.00 0.31 0.00 0.00 61.69 62.45 2q4g s THR 82 Cb 0.07 -0.24 -0.07 0.00 0.01 0.00 0.00 72.50 72.27 2q4g s THR 82 CO 0.11 0.10 0.72 -1.81 -0.69 0.00 0.00 174.62 173.04 2q4g s ASP 83 N 1.45 6.61 -0.21 3.53 1.01 -0.37 -2.02 116.67 126.67 2q4g s ASP 83 Ca -0.06 1.12 -0.04 0.00 0.71 0.00 0.00 52.55 54.29 2q4g s ASP 83 Cb -0.12 -2.31 0.07 0.00 1.01 0.00 0.00 42.92 41.57 2q4g s ASP 83 CO -0.06 -0.28 0.07 0.00 0.21 0.00 0.00 175.17 175.11 2q4g s ARG 85 N 1.96 2.46 0.30 0.00 3.52 -1.03 0.21 118.95 126.37 2q4g s ARG 85 Ca 0.02 -0.88 -0.29 0.00 -0.13 0.00 0.00 55.73 54.45 2q4g s ARG 85 Cb -0.17 -2.17 -0.10 0.00 -1.56 0.00 0.00 34.95 30.95 2q4g s ARG 85 CO -0.14 0.45 1.30 -1.17 -0.81 0.00 0.00 175.30 174.93 2q4g s LEU 86 N -0.33 4.43 0.74 -0.88 2.96 0.50 -1.42 118.68 124.69 2q4g s LEU 86 Ca 0.02 2.60 -0.11 0.00 -0.22 0.00 0.00 54.13 56.41 2q4g s LEU 86 Cb -0.12 -3.64 0.04 0.00 0.50 0.00 0.00 46.19 42.97 2q4g s LEU 86 CO 0.02 -0.52 1.09 0.42 -1.32 0.00 0.00 176.35 176.05 2q4g s THR 87 N -0.81 3.36 -0.22 3.68 -4.23 0.50 -4.86 115.64 113.05 2q4g s THR 87 Ca 0.51 0.48 0.27 0.00 -1.18 0.00 0.00 61.69 61.77 2q4g s THR 87 Cb -0.39 -2.99 0.30 0.00 1.34 0.00 0.00 72.50 70.76 2q4g s THR 87 CO 0.48 -0.54 1.82 0.78 -0.54 0.00 0.00 174.62 176.62 2q4g h ASN 88 N -0.85 0.00 0.09 3.99 2.35 -1.93 -2.74 115.58 116.48 2q4g h ASN 88 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2q4g h ASN 88 Cb 1.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.60 2q4g h ASN 88 CO 0.52 0.00 -0.68 0.61 -1.65 0.00 0.00 177.43 176.24 2q4g n GLY 89 N -0.17 -0.65 3.71 2.83 0.00 -1.26 -4.98 105.19 104.67 2q4g n GLY 89 Ca 0.01 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.91 2.51 -3.60 1.61 7.64 -1.03 -5.02 113.62 114.81 2q4g n SER 90 Ca 0.07 1.06 -0.05 0.00 1.01 0.00 0.00 58.87 60.96 2q4g n SER 90 Cb 0.38 -1.52 -0.07 0.00 -1.01 0.00 0.00 64.21 61.99 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 -2.42 0.44 0.20 1.43 3.52 -1.16 -5.01 118.95 115.95 2q4g s ARG 91 Ca 0.64 1.16 -0.31 0.00 -0.13 0.00 0.00 55.73 57.10 2q4g s ARG 91 Cb -0.47 0.50 -0.16 0.00 -1.56 0.00 0.00 34.95 33.26 2q4g s ARG 91 CO 0.55 -0.28 0.96 0.98 -0.81 0.00 0.00 175.30 176.70 2q4g n TYR 92 N 5.41 0.81 0.12 5.12 9.36 -1.26 -0.29 117.16 136.44 2q4g n TYR 92 Ca -0.09 0.79 0.02 0.00 3.32 0.00 0.00 57.90 61.93 2q4g n TYR 92 Cb 0.49 -2.18 0.17 0.00 -0.63 0.00 0.00 39.34 37.20 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 1.25 2.65 -2.90 2.98 -0.04 -1.26 -5.02 135.00 132.66 2q4g n PRO 93 Ca 0.14 -1.42 -0.44 0.00 -0.04 0.00 0.00 63.50 61.74 2q4g n PRO 93 Cb 0.26 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 0.23 5.56 -4.66 3.54 5.03 0.60 -4.99 115.26 120.57 2q4g n ASN 94 Ca 0.14 -3.13 -0.42 0.00 0.87 0.00 0.00 54.58 52.04 2q4g n ASN 94 Cb 0.72 -1.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.02 2q4g n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2q4g s ALA 96 N 2.82 1.75 -0.04 0.00 0.00 -1.26 -4.99 121.76 120.03 2q4g s ALA 96 Ca 0.40 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.68 2q4g s ALA 96 Cb -0.16 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2q4g s ALA 96 CO 0.08 0.11 -0.20 0.71 0.00 0.00 0.00 175.76 176.47 2q4g s TYR 97 N 0.65 1.90 -0.04 0.00 2.02 -1.26 -0.37 117.35 120.25 2q4g s TYR 97 Ca -0.13 -0.52 -0.22 0.00 -0.37 0.00 0.00 57.07 55.83 2q4g s TYR 97 Cb -0.16 -1.26 -0.05 0.00 -0.40 0.00 0.00 41.96 40.09 2q4g s TYR 97 CO 0.04 -0.15 0.64 0.50 -1.57 0.00 0.00 175.55 175.01 2q4g s ARG 98 N -0.11 4.39 -0.20 -0.62 3.52 -0.51 -4.57 118.95 120.86 2q4g s ARG 98 Ca -0.02 0.80 -0.05 0.00 -0.13 0.00 0.00 55.73 56.33 2q4g s ARG 98 Cb -0.11 -3.40 -0.03 0.00 -1.56 0.00 0.00 34.95 29.85 2q4g s ARG 98 CO 0.02 0.21 0.01 0.99 -0.81 0.00 0.00 175.30 175.73 2q4g s THR 99 N 0.31 4.11 -0.29 4.11 2.01 -1.26 -2.46 115.64 122.17 2q4g s THR 99 Ca 0.34 -0.26 -0.01 0.00 0.31 0.00 0.00 61.69 62.07 2q4g s THR 99 Cb -0.18 -2.86 0.09 0.00 0.01 0.00 0.00 72.50 69.57 2q4g s THR 99 CO 0.17 0.43 0.08 -0.44 -0.69 0.00 0.00 174.62 174.18 2q4g s SER 100 N 0.88 3.89 0.51 3.53 0.01 -0.82 -4.89 113.70 116.80 2q4g s SER 100 Ca 0.01 -1.52 -0.19 0.00 1.31 0.00 0.00 55.95 55.57 2q4g s SER 100 Cb -0.14 -0.84 -0.08 0.00 0.21 0.00 0.00 66.02 65.17 2q4g s SER 100 CO 0.02 -0.40 1.01 -2.16 0.41 0.00 0.00 173.24 172.13 2q4g s PRO 101 N 1.64 3.81 -0.10 12.44 0.04 -1.26 -1.24 135.00 150.33 2q4g s PRO 101 Ca 0.08 1.19 -0.33 0.00 0.04 0.00 0.00 61.00 61.98 2q4g s PRO 101 Cb -0.17 -2.11 0.14 0.00 0.04 0.00 0.00 34.50 32.40 2q4g s PRO 101 CO -0.23 -0.41 1.37 -1.59 0.04 0.00 0.00 177.00 176.19 2q4g s LYS 102 N -3.59 0.16 -0.19 4.56 -2.85 0.29 -4.96 119.74 113.17 2q4g s LYS 102 Ca 0.64 -0.08 -0.02 0.00 -1.00 0.00 0.00 55.97 55.50 2q4g s LYS 102 Cb -0.13 0.06 -0.01 0.00 -2.06 0.00 0.00 37.83 35.69 2q4g s LYS 102 CO 0.25 -0.07 -0.08 -1.21 0.10 0.00 0.00 175.35 174.33 2q4g s GLU 103 N -2.18 3.35 0.13 1.78 2.02 -1.26 0.36 118.70 122.90 2q4g s GLU 103 Ca 0.14 -0.66 -0.11 0.00 0.02 0.00 0.00 54.97 54.36 2q4g s GLU 103 Cb 0.05 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.42 2q4g s GLU 103 CO -0.05 -0.08 0.30 1.03 0.02 0.00 0.00 175.26 176.47 2q4g s ARG 104 N 1.14 1.03 0.43 1.61 1.81 0.03 -4.80 118.95 120.19 2q4g s ARG 104 Ca 0.01 -0.94 -0.22 0.00 -1.72 0.00 0.00 55.73 52.86 2q4g s ARG 104 Cb -0.14 0.40 -0.10 0.00 -0.45 0.00 0.00 34.95 34.66 2q4g s ARG 104 CO -0.02 -0.37 1.00 -1.01 -0.68 0.00 0.00 175.30 174.22 2q4g s HIS 105 N -3.87 3.25 0.22 -0.53 3.76 -0.69 -0.54 115.29 116.90 2q4g s HIS 105 Ca 0.08 1.63 0.11 0.00 -0.15 0.00 0.00 55.06 56.73 2q4g s HIS 105 Cb 0.03 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 2q4g s HIS 105 CO -0.08 -0.42 -0.19 0.96 -0.85 0.00 0.00 174.74 174.16 2q4g s ILE 106 N -1.91 2.60 -0.13 0.60 -4.36 -1.26 -0.62 121.20 116.11 2q4g s ILE 106 Ca 0.61 -2.09 0.01 0.00 -0.26 0.00 0.00 60.65 58.92 2q4g s ILE 106 Cb -0.16 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.27 2q4g s ILE 106 CO 0.20 -0.23 -0.14 -0.63 0.24 0.00 0.00 174.94 174.38 2q4g s ILE 107 N -2.00 1.50 0.11 8.37 1.01 0.18 -0.36 121.20 130.01 2q4g s ILE 107 Ca 0.25 -0.61 0.08 0.00 0.00 0.00 0.00 60.65 60.37 2q4g s ILE 107 Cb -0.07 -1.40 -0.04 0.00 0.01 0.00 0.00 42.46 40.96 2q4g s ILE 107 CO 0.13 0.44 -0.20 0.68 0.00 0.00 0.00 174.94 175.99 2q4g s VAL 108 N 1.30 1.72 0.02 2.92 -7.23 -0.99 -0.88 120.40 117.25 2q4g s VAL 108 Ca 0.00 -1.59 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 2q4g s VAL 108 Cb -0.14 -1.59 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2q4g s VAL 108 CO -0.07 -0.10 0.67 0.00 -0.31 0.00 0.00 175.10 175.29 2q4g s ALA 109 N -1.30 3.44 -0.02 1.32 0.00 0.93 -1.48 121.76 124.65 2q4g s ALA 109 Ca 0.08 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.26 2q4g s ALA 109 Cb -0.09 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 2q4g s ALA 109 CO 0.05 0.13 -0.25 0.00 0.00 0.00 0.00 175.76 175.68 2q4g s GLU 111 N -0.57 1.22 0.00 0.00 2.02 -0.12 -4.85 118.70 116.39 2q4g s GLU 111 Ca 0.09 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.04 2q4g s GLU 111 Cb -0.10 0.43 0.00 0.00 0.10 0.00 0.00 34.13 34.56 2q4g s GLU 111 CO -0.01 -0.47 0.00 0.41 0.02 0.00 0.00 175.26 175.21 2q4g n GLY 112 N -0.25 -0.19 2.72 -1.39 0.00 -1.26 -1.60 105.19 103.22 2q4g n GLY 112 Ca -0.09 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.95 3.50 0.79 1.61 0.15 -1.26 -1.93 113.70 114.62 2q4g s SER 113 Ca 0.00 -1.24 -0.12 0.00 0.70 0.00 0.00 55.95 55.29 2q4g s SER 113 Cb 0.00 -0.70 0.07 0.00 -1.71 0.00 0.00 66.02 63.69 2q4g s SER 113 CO 0.00 -0.37 1.16 -2.16 1.20 0.00 0.00 173.24 173.07 2q4g s PRO 114 N 1.77 1.84 0.32 5.44 0.04 -1.26 -5.11 135.00 138.04 2q4g s PRO 114 Ca 0.05 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.34 2q4g s PRO 114 Cb -0.17 -1.82 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 2q4g s PRO 114 CO -0.19 -2.02 1.44 -0.47 0.04 0.00 0.00 177.00 175.80 2q4g s TYR 115 N -2.41 2.84 0.26 0.56 6.04 -0.81 -4.88 117.35 118.95 2q4g s TYR 115 Ca 0.69 1.15 -0.19 0.00 0.04 0.00 0.00 57.07 58.75 2q4g s TYR 115 Cb -0.24 -3.88 0.02 0.00 -1.04 0.00 0.00 41.96 36.82 2q4g s TYR 115 CO 0.51 -2.67 0.65 0.14 -1.54 0.00 0.00 175.55 172.64 2q4g s VAL 116 N -0.71 0.00 -0.08 3.14 -7.23 -0.63 -4.94 120.40 109.96 2q4g s VAL 116 Ca 0.55 -0.98 -0.26 0.00 -1.81 0.00 0.00 61.98 59.47 2q4g s VAL 116 Cb -0.44 -1.92 -0.03 0.00 0.56 0.00 0.00 36.38 34.55 2q4g s VAL 116 CO 0.53 -0.01 0.84 -2.84 -0.31 0.00 0.00 175.10 173.31 2q4g s PRO 117 N -3.92 4.42 -0.02 4.82 0.02 -1.26 -0.94 135.00 138.12 2q4g s PRO 117 Ca 0.12 1.10 0.03 0.00 0.02 0.00 0.00 61.00 62.27 2q4g s PRO 117 Cb -0.04 -3.50 0.04 0.00 0.02 0.00 0.00 34.50 31.03 2q4g s PRO 117 CO 0.05 -0.11 0.84 1.33 -0.33 0.00 0.00 177.00 178.78 2q4g n VAL 118 N 4.16 0.59 -3.60 3.83 0.24 0.13 -4.41 118.33 119.27 2q4g n VAL 118 Ca 0.03 -0.65 0.00 0.00 -2.04 0.00 0.00 64.34 61.69 2q4g n VAL 118 Cb 0.50 0.57 -0.06 0.00 -1.47 0.00 0.00 33.84 33.38 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 -0.74 -0.32 -0.62 6.34 5.65 -1.20 -4.74 115.29 119.66 2q4g s HIS 119 Ca 0.05 0.63 -0.19 0.00 0.25 0.00 0.00 55.06 55.80 2q4g s HIS 119 Cb 0.04 0.19 0.11 0.00 -1.18 0.00 0.00 32.58 31.74 2q4g s HIS 119 CO 0.00 -0.16 0.73 0.12 -0.65 0.00 0.00 174.74 174.79 2q4g s PHE 120 N 1.34 3.02 0.06 3.88 5.36 -1.26 -0.05 117.98 130.32 2q4g s PHE 120 Ca -0.08 -1.01 -0.10 0.00 -0.96 0.00 0.00 56.93 54.78 2q4g s PHE 120 Cb -0.03 -4.03 -0.31 0.00 -0.34 0.00 0.00 43.02 38.31 2q4g s PHE 120 CO -0.13 -1.30 1.08 0.22 -1.46 0.00 0.00 175.22 173.63 2q4g h ASP 121 N 9.13 0.66 -5.93 6.13 3.58 -1.36 -3.49 116.42 125.14 2q4g h ASP 121 Ca -0.26 -0.69 0.38 0.00 0.42 0.00 0.00 57.03 56.88 2q4g h ASP 121 Cb 1.08 -0.21 -0.12 0.00 1.72 0.00 0.00 39.33 41.80 2q4g h ASP 121 CO 1.09 1.54 0.95 0.00 -2.88 0.00 0.00 179.24 179.94 2q4g s ALA 122 N -2.68 -2.51 0.22 -0.78 0.00 -1.06 -4.86 121.76 110.09 2q4g s ALA 122 Ca -0.07 0.66 0.10 0.00 0.00 0.00 0.00 51.96 52.65 2q4g s ALA 122 Cb 0.06 0.46 -0.05 0.00 0.00 0.00 0.00 23.12 23.59 2q4g s ALA 122 CO 0.92 -1.09 -0.19 -1.54 0.00 0.00 0.00 175.76 173.86 2q4g s SER 123 N -3.26 3.06 -0.01 0.00 1.04 -1.26 -0.65 113.70 112.61 2q4g s SER 123 Ca 0.20 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.68 2q4g s SER 123 Cb 0.05 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2q4g s SER 123 CO -0.05 -0.03 -0.04 -0.69 0.98 0.00 0.00 173.24 173.42 2q4g s VAL 124 N -2.40 0.33 -0.35 5.02 1.01 0.21 -4.96 120.40 119.26 2q4g s VAL 124 Ca 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 2q4g s VAL 124 Cb -0.04 -0.31 0.08 0.00 0.00 0.00 0.00 36.38 36.10 2q4g s VAL 124 CO 0.10 0.12 0.09 -0.70 0.00 0.00 0.00 175.10 174.70 2q4g s GLU 125 N 0.20 2.16 -0.03 2.72 2.12 -1.26 -1.70 118.70 122.92 2q4g s GLU 125 Ca -0.02 -1.54 0.06 0.00 0.36 0.00 0.00 54.97 53.82 2q4g s GLU 125 Cb -0.05 -3.34 0.14 0.00 0.26 0.00 0.00 34.13 31.13 2q4g s GLU 125 CO -0.00 -0.83 1.10 -0.40 -0.54 0.00 0.00 175.26 174.59 2q4g n ASP 126 N 4.57 2.36 0.00 -1.70 5.68 -1.26 -5.11 116.55 121.09 2q4g n ASP 126 Ca -0.07 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.02 2q4g n ASP 126 Cb 0.42 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.27 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33