#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 4.30 0.51 4.31 1.04 -1.26 -4.79 113.70 117.81 2q4g s SER 3 Ca 0.00 1.11 0.33 0.00 0.48 0.00 0.00 55.95 57.87 2q4g s SER 3 Cb 0.00 -1.77 1.40 0.00 0.10 0.00 0.00 66.02 65.75 2q4g s SER 3 CO 0.00 -2.07 1.97 0.03 0.98 0.00 0.00 173.24 174.15 2q4g h ARG 4 N -1.16 0.00 -0.02 4.02 2.47 -1.97 0.33 114.38 118.04 2q4g h ARG 4 Ca -0.48 0.00 -0.23 0.00 -1.26 0.00 0.00 59.98 58.02 2q4g h ARG 4 Cb 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 2q4g h ARG 4 CO 0.62 0.00 -0.92 0.00 0.56 0.00 0.00 179.97 180.23 2q4g h ALA 5 N 2.04 0.36 0.09 0.04 0.00 -1.82 0.21 119.26 120.18 2q4g h ALA 5 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 54.91 53.97 2q4g h ALA 5 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2q4g h ALA 5 CO 0.00 0.78 -1.16 0.87 0.00 0.00 0.00 179.25 179.74 2q4g h LYS 6 N 0.28 0.21 -0.47 0.00 1.79 -1.68 -2.77 116.57 113.94 2q4g h LYS 6 Ca -0.08 -0.35 -0.07 0.00 -2.18 0.00 0.00 60.65 57.97 2q4g h LYS 6 Cb 1.55 0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 32.30 2q4g h LYS 6 CO 0.16 1.16 0.01 -0.22 -1.08 0.00 0.00 179.45 179.48 2q4g h LYS 7 N 0.07 0.76 -0.72 3.15 3.64 -0.30 -2.15 116.57 121.01 2q4g h LYS 7 Ca -0.10 -0.19 -0.06 0.00 -1.27 0.00 0.00 60.65 59.02 2q4g h LYS 7 Cb 1.89 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.59 2q4g h LYS 7 CO 0.18 0.76 0.21 0.35 -2.27 0.00 0.00 179.45 178.68 2q4g h PHE 8 N 0.71 1.18 0.52 1.91 3.57 -0.52 -1.82 116.94 122.49 2q4g h PHE 8 Ca 0.14 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.49 2q4g h PHE 8 Cb 0.42 -0.34 0.01 0.00 2.79 0.00 0.00 35.95 38.83 2q4g h PHE 8 CO 0.02 0.94 -0.25 1.96 -2.23 0.00 0.00 178.31 178.75 2q4g h GLN 9 N 1.07 -0.67 0.00 1.11 4.20 -1.12 -1.03 115.11 118.67 2q4g h GLN 9 Ca 0.23 0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.98 2q4g h GLN 9 Cb 0.33 0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2q4g h GLN 9 CO -0.00 -0.39 -0.02 -0.09 -0.67 0.00 0.00 178.83 177.65 2q4g h ARG 10 N -0.84 0.00 0.14 1.46 2.43 -1.39 -1.05 114.38 115.13 2q4g h ARG 10 Ca -0.07 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.77 2q4g h ARG 10 Cb 0.59 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 2q4g h ARG 10 CO 0.12 0.02 -1.71 1.96 -1.51 0.00 0.00 179.97 178.85 2q4g h GLN 11 N 0.00 0.29 -0.00 0.20 4.20 -1.21 -3.42 115.11 115.17 2q4g h GLN 11 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2q4g h GLN 11 Cb 0.05 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2q4g h GLN 11 CO 0.00 1.16 -0.01 0.72 -0.67 0.00 0.00 178.83 180.03 2q4g n HIS 12 N -3.48 0.00 -3.70 2.96 8.25 -0.40 -4.66 115.22 114.19 2q4g n HIS 12 Ca -0.22 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.87 2q4g n HIS 12 Cb 1.06 0.00 -0.12 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 -0.57 3.68 -0.39 -0.41 -1.94 -0.40 0.21 119.30 119.49 2q4g s MET 13 Ca 0.01 -0.47 0.09 0.00 -1.71 0.00 0.00 55.69 53.60 2q4g s MET 13 Cb 0.01 -3.44 0.28 0.00 2.01 0.00 0.00 34.83 33.68 2q4g s MET 13 CO 0.02 -0.22 0.58 -3.47 -0.01 0.00 0.00 175.02 171.92 2q4g n ASP 14 N 4.97 0.39 0.22 3.03 -0.08 -1.09 -4.78 116.55 119.20 2q4g n ASP 14 Ca -0.15 -2.79 0.15 0.00 -1.51 0.00 0.00 54.79 50.49 2q4g n ASP 14 Cb 0.51 -0.63 0.80 0.00 2.34 0.00 0.00 41.12 44.14 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 2q4g h SER 15 N 3.71 0.00 -0.50 1.67 0.02 -1.73 -3.09 113.55 113.63 2q4g h SER 15 Ca 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 2q4g h SER 15 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 2q4g h SER 15 CO 0.47 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.63 2q4g n ASP 16 N -2.53 3.91 -4.79 3.07 8.00 -1.26 -4.57 116.55 118.37 2q4g n ASP 16 Ca -0.02 -2.33 -0.32 0.00 0.71 0.00 0.00 54.79 52.83 2q4g n ASP 16 Cb 0.05 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.64 2q4g n ASP 16 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2q4g s SER 17 N -1.12 5.70 0.84 -2.24 0.01 -1.17 -5.09 113.70 110.63 2q4g s SER 17 Ca 0.40 0.11 -0.13 0.00 1.31 0.00 0.00 55.95 57.65 2q4g s SER 17 Cb 0.25 -1.62 0.06 0.00 0.21 0.00 0.00 66.02 64.92 2q4g s SER 17 CO 0.21 0.24 0.93 -0.24 0.41 0.00 0.00 173.24 174.78 2q4g n SER 18 N 0.90 -0.05 0.22 2.44 2.88 -1.26 -4.91 113.62 113.84 2q4g n SER 18 Ca -0.11 0.51 -0.14 0.00 -1.33 0.00 0.00 58.87 57.80 2q4g n SER 18 Cb 0.52 -1.40 -0.08 0.00 -0.75 0.00 0.00 64.21 62.51 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 -1.08 -0.54 -5.83 -1.46 0.11 -1.97 -3.38 132.00 117.85 2q4g h PRO 19 Ca -0.45 0.04 -0.48 0.00 0.11 0.00 0.00 66.00 65.21 2q4g h PRO 19 Cb 1.30 0.12 -0.07 0.00 0.11 0.00 0.00 31.00 32.46 2q4g h PRO 19 CO 0.42 -0.25 1.36 -1.12 -0.21 0.00 0.00 178.00 178.20 2q4g s SER 20 N -4.86 5.93 0.36 -2.05 0.01 -1.26 -4.76 113.70 107.06 2q4g s SER 20 Ca -0.15 -1.48 -0.28 0.00 1.31 0.00 0.00 55.95 55.35 2q4g s SER 20 Cb 0.03 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 2q4g s SER 20 CO 0.56 -2.07 1.27 -0.44 0.41 0.00 0.00 173.24 172.97 2q4g s SER 21 N 5.95 6.64 0.60 2.44 0.01 -1.26 -5.01 113.70 123.06 2q4g s SER 21 Ca 0.58 2.61 -0.13 0.00 1.31 0.00 0.00 55.95 60.32 2q4g s SER 21 Cb -0.01 -2.64 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2q4g s SER 21 CO 0.01 -0.62 1.03 -0.94 0.41 0.00 0.00 173.24 173.12 2q4g s SER 22 N -0.67 6.11 0.00 2.44 1.04 -1.26 -4.77 113.70 116.59 2q4g s SER 22 Ca 0.52 1.56 0.00 0.00 0.48 0.00 0.00 55.95 58.51 2q4g s SER 22 Cb -0.38 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.25 2q4g s SER 22 CO 0.49 -0.95 0.81 -1.54 0.98 0.00 0.00 173.24 173.04 2q4g n SER 23 N -2.38 0.00 -0.50 7.02 3.41 -1.26 -0.65 113.62 119.26 2q4g n SER 23 Ca 0.07 0.32 0.05 0.00 -0.26 0.00 0.00 58.87 59.05 2q4g n SER 23 Cb 0.54 -0.32 0.10 0.00 -0.26 0.00 0.00 64.21 64.26 2q4g n SER 23 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2q4g n THR 24 N -1.31 0.64 -0.19 6.66 -2.24 -1.26 -4.57 114.28 112.01 2q4g n THR 24 Ca 0.00 -0.82 -0.07 0.00 -2.27 0.00 0.00 64.05 60.89 2q4g n THR 24 Cb 0.14 0.76 0.02 0.00 -2.10 0.00 0.00 70.33 69.15 2q4g n THR 24 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2q4g h TYR 25 N 1.82 0.71 -0.37 4.78 3.20 -1.24 -3.15 116.97 122.71 2q4g h TYR 25 Ca 0.00 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2q4g h TYR 25 Cb 0.59 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.61 2q4g h TYR 25 CO 0.13 0.48 0.06 0.00 -1.64 0.00 0.00 178.16 177.19 2q4g h ASN 27 N 0.46 0.11 0.50 0.00 2.35 -1.83 0.64 115.58 117.80 2q4g h ASN 27 Ca 0.11 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2q4g h ASN 27 Cb 0.36 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2q4g h ASN 27 CO 0.01 0.08 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.02 2q4g h GLN 28 N 0.13 -0.64 -0.41 0.81 4.15 -1.45 -3.15 115.11 114.55 2q4g h GLN 28 Ca 0.04 0.04 -0.12 0.00 0.77 0.00 0.00 58.65 59.37 2q4g h GLN 28 Cb -0.01 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 2q4g h GLN 28 CO -0.01 -0.43 -0.24 0.52 -1.93 0.00 0.00 178.83 176.74 2q4g h MET 29 N -1.05 0.83 -0.19 1.69 2.86 -1.08 -1.49 114.93 116.51 2q4g h MET 29 Ca -0.07 -0.35 -0.01 0.00 -2.06 0.00 0.00 59.70 57.20 2q4g h MET 29 Cb 0.51 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2q4g h MET 29 CO 0.11 0.99 0.06 0.52 1.06 0.00 0.00 176.91 179.65 2q4g h MET 30 N 0.72 0.26 0.13 1.72 2.86 -1.02 0.16 114.93 119.76 2q4g h MET 30 Ca 0.09 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 2q4g h MET 30 Cb 0.78 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.39 2q4g h MET 30 CO 0.06 0.24 -0.06 0.00 1.06 0.00 0.00 176.91 178.21 2q4g h ARG 31 N 0.27 -0.17 -0.82 1.72 3.08 -1.44 -2.02 114.38 114.99 2q4g h ARG 31 Ca 0.07 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.17 2q4g h ARG 31 Cb 0.09 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2q4g h ARG 31 CO -0.00 0.29 0.54 0.00 -1.07 0.00 0.00 179.97 179.72 2q4g h ARG 32 N -0.84 0.95 -1.07 0.04 3.08 -1.03 -2.83 114.38 112.68 2q4g h ARG 32 Ca -0.02 -0.06 -0.30 0.00 0.07 0.00 0.00 59.98 59.68 2q4g h ARG 32 Cb 0.54 -0.21 -0.17 0.00 0.08 0.00 0.00 29.97 30.21 2q4g h ARG 32 CO 0.03 0.63 0.38 0.54 -1.07 0.00 0.00 179.97 180.48 2q4g n ARG 33 N -4.46 1.72 -4.10 0.04 5.12 0.53 -4.90 116.66 110.62 2q4g n ARG 33 Ca 0.11 -1.68 -0.32 0.00 -1.93 0.00 0.00 57.85 54.03 2q4g n ARG 33 Cb 0.14 -1.66 -0.02 0.00 -1.16 0.00 0.00 32.46 29.76 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 -0.32 -2.79 -0.58 0.55 3.02 -1.07 -4.79 115.26 109.28 2q4g n ASN 34 Ca 0.33 -0.97 0.05 0.00 -0.03 0.00 0.00 54.58 53.97 2q4g n ASN 34 Cb 1.07 -3.04 0.19 0.00 -0.61 0.00 0.00 39.78 37.39 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 -4.44 1.62 -1.03 3.52 2.81 -0.76 -4.56 117.12 114.28 2q4g n MET 35 Ca -0.03 -3.09 0.02 0.00 -1.81 0.00 0.00 57.70 52.79 2q4g n MET 35 Cb 0.55 -1.63 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 2q4g n MET 35 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2q4g n THR 36 N -1.17 0.00 -4.13 2.03 -2.24 -1.23 -2.66 114.28 104.89 2q4g n THR 36 Ca 0.21 -0.53 -0.35 0.00 -2.27 0.00 0.00 64.05 61.11 2q4g n THR 36 Cb 0.74 0.77 -0.14 0.00 -2.10 0.00 0.00 70.33 69.60 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 3.45 0.00 -0.78 -0.21 -1.26 -4.63 119.66 116.23 2q4g s GLN 37 Ca 0.18 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 54.96 2q4g s GLN 37 Cb 0.21 -2.95 0.00 0.00 1.00 0.00 0.00 33.01 31.27 2q4g s GLN 37 CO -0.09 -0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.44 2q4g n GLY 38 N 4.37 2.33 3.23 3.09 0.00 -1.26 -4.87 105.19 112.08 2q4g n GLY 38 Ca -0.18 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 0.75 -0.20 1.61 1.81 -1.26 -5.05 118.95 116.61 2q4g s ARG 39 Ca 0.00 -0.44 -0.26 0.00 -1.72 0.00 0.00 55.73 53.31 2q4g s ARG 39 Cb 0.00 0.32 -0.01 0.00 -0.45 0.00 0.00 34.95 34.81 2q4g s ARG 39 CO 0.00 -0.23 0.86 0.00 -0.68 0.00 0.00 175.30 175.25 2q4g s LYS 41 N 2.46 4.24 0.07 0.00 2.20 -1.09 -4.92 119.74 122.71 2q4g s LYS 41 Ca 0.38 2.38 -0.17 0.00 -0.36 0.00 0.00 55.97 58.20 2q4g s LYS 41 Cb -0.16 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.01 2q4g s LYS 41 CO 0.10 -0.37 1.38 -1.00 -0.36 0.00 0.00 175.35 175.10 2q4g h PRO 42 N 3.52 0.56 -2.83 4.03 0.13 -1.95 -3.41 132.00 132.05 2q4g h PRO 42 Ca -0.49 -0.31 -0.14 0.00 -0.87 0.00 0.00 66.00 64.20 2q4g h PRO 42 Cb 1.23 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.12 2q4g h PRO 42 CO 0.67 0.90 -0.32 0.54 -0.23 0.00 0.00 178.00 179.56 2q4g s VAL 43 N -4.29 -0.01 -0.01 1.56 0.11 -1.26 -1.42 120.40 115.08 2q4g s VAL 43 Ca -0.13 0.04 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2q4g s VAL 43 Cb 0.07 -0.52 0.00 0.00 -1.53 0.00 0.00 36.38 34.41 2q4g s VAL 43 CO 0.80 0.02 0.07 0.21 -3.33 0.00 0.00 175.10 172.87 2q4g s ASN 44 N 0.60 0.01 -0.11 3.54 2.47 -0.15 -5.02 114.94 116.29 2q4g s ASN 44 Ca -0.03 -0.07 0.02 0.00 0.42 0.00 0.00 52.86 53.20 2q4g s ASN 44 Cb -0.05 0.16 0.01 0.00 -1.45 0.00 0.00 41.25 39.93 2q4g s ASN 44 CO -0.04 -0.17 -0.18 -0.89 -3.72 0.00 0.00 177.10 172.10 2q4g s THR 45 N -0.64 1.73 0.04 -5.21 2.01 -1.26 -0.58 115.64 111.73 2q4g s THR 45 Ca -0.07 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.13 2q4g s THR 45 Cb -0.04 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 2q4g s THR 45 CO 0.00 0.49 0.18 -0.36 -0.69 0.00 0.00 174.62 174.23 2q4g s PHE 46 N 0.81 3.46 -0.14 4.92 0.08 -0.89 -4.40 117.98 121.82 2q4g s PHE 46 Ca -0.09 0.24 0.01 0.00 0.12 0.00 0.00 56.93 57.21 2q4g s PHE 46 Cb -0.16 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 2q4g s PHE 46 CO 0.00 0.59 -0.18 0.08 -0.10 0.00 0.00 175.22 175.61 2q4g s VAL 47 N -1.43 2.47 -1.09 -0.44 1.01 0.13 -1.50 120.40 119.56 2q4g s VAL 47 Ca 0.32 -0.85 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 2q4g s VAL 47 Cb -0.13 -2.02 0.24 0.00 0.00 0.00 0.00 36.38 34.48 2q4g s VAL 47 CO 0.24 0.53 1.13 -1.00 0.00 0.00 0.00 175.10 176.01 2q4g s HIS 48 N 0.68 4.00 0.16 5.22 0.09 0.33 -2.69 115.29 123.08 2q4g s HIS 48 Ca -0.09 -2.43 -0.20 0.00 -0.00 0.00 0.00 55.06 52.34 2q4g s HIS 48 Cb -0.16 -3.95 0.05 0.00 -0.00 0.00 0.00 32.58 28.52 2q4g s HIS 48 CO 0.02 -1.07 0.54 -1.21 -0.00 0.00 0.00 174.74 173.02 2q4g s GLU 49 N -0.32 1.24 0.37 1.40 0.41 -1.26 -4.20 118.70 116.35 2q4g s GLU 49 Ca 0.32 -0.59 -0.28 0.00 -0.41 0.00 0.00 54.97 54.01 2q4g s GLU 49 Cb -0.08 0.55 -0.11 0.00 -1.78 0.00 0.00 34.13 32.71 2q4g s GLU 49 CO -0.07 -0.53 1.45 -2.14 -0.49 0.00 0.00 175.26 173.49 2q4g s PRO 50 N -3.78 4.13 0.55 0.39 0.02 -1.26 -4.21 135.00 130.84 2q4g s PRO 50 Ca 0.03 2.50 0.26 0.00 0.02 0.00 0.00 61.00 63.80 2q4g s PRO 50 Cb -0.00 -2.97 1.48 0.00 0.02 0.00 0.00 34.50 33.03 2q4g s PRO 50 CO -0.11 -0.49 2.04 1.25 -0.33 0.00 0.00 177.00 179.36 2q4g h LEU 51 N 3.02 0.00 -0.08 -5.54 5.85 -1.98 -1.97 115.31 114.61 2q4g h LEU 51 Ca -0.51 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 57.99 2q4g h LEU 51 Cb 1.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 2q4g h LEU 51 CO 0.64 0.00 -1.02 1.62 -0.34 0.00 0.00 178.44 179.34 2q4g h VAL 52 N 0.00 1.56 0.00 1.05 3.04 -1.99 -2.33 116.25 117.58 2q4g h VAL 52 Ca 0.16 -2.99 -0.12 0.00 -1.01 0.00 0.00 66.70 62.74 2q4g h VAL 52 Cb 0.72 2.72 -0.02 0.00 -2.01 0.00 0.00 31.29 32.71 2q4g h VAL 52 CO -0.00 0.87 -0.58 0.44 -1.01 0.00 0.00 177.57 177.29 2q4g h ASP 53 N 0.06 0.00 0.02 3.17 3.32 -1.74 -1.97 116.42 119.29 2q4g h ASP 53 Ca -0.06 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2q4g h ASP 53 Cb 1.72 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.28 2q4g h ASP 53 CO 0.15 0.58 -0.50 0.58 -1.72 0.00 0.00 179.24 178.33 2q4g h VAL 54 N 0.00 1.49 -0.63 -1.35 2.07 -1.53 -3.27 116.25 113.04 2q4g h VAL 54 Ca -0.01 -2.12 0.10 0.00 0.82 0.00 0.00 66.70 65.49 2q4g h VAL 54 Cb 1.03 2.77 -0.07 0.00 -1.52 0.00 0.00 31.29 33.50 2q4g h VAL 54 CO 0.07 0.60 0.24 1.56 0.02 0.00 0.00 177.57 180.06 2q4g h GLN 55 N -0.31 0.40 0.00 1.57 4.20 -1.33 -1.57 115.11 118.08 2q4g h GLN 55 Ca -0.07 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 2q4g h GLN 55 Cb 1.25 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.94 2q4g h GLN 55 CO 0.10 0.27 -0.00 -0.91 -0.67 0.00 0.00 178.83 177.61 2q4g h ASN 56 N 0.42 0.00 -0.61 1.46 2.35 -1.44 -2.72 115.58 115.04 2q4g h ASN 56 Ca 0.32 0.00 0.18 0.00 -0.55 0.00 0.00 56.30 56.24 2q4g h ASN 56 Cb 0.40 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 2q4g h ASN 56 CO -0.32 0.00 0.68 0.58 -1.65 0.00 0.00 177.43 176.73 2q4g h VAL 57 N 0.00 0.25 0.00 2.81 2.07 -1.33 0.82 116.25 120.87 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 0.14 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 2q4g h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 2q4g n PHE 59 N -1.61 0.37 -0.93 0.00 3.72 0.28 -4.99 117.46 114.30 2q4g n PHE 59 Ca 0.01 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 56.08 2q4g n PHE 59 Cb 0.05 -0.29 0.00 0.00 -0.94 0.00 0.00 39.48 38.30 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 -1.14 3.51 -2.09 -1.08 6.02 -0.58 -5.05 117.38 116.98 2q4g n GLN 60 Ca 0.22 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.78 2q4g n GLN 60 Cb 0.79 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 32.02 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 3.65 3.80 0.34 -1.09 2.12 -1.22 -4.87 118.70 121.43 2q4g s GLU 61 Ca 0.00 1.72 -0.27 0.00 0.36 0.00 0.00 54.97 56.77 2q4g s GLU 61 Cb 0.00 -4.04 -0.09 0.00 0.26 0.00 0.00 34.13 30.25 2q4g s GLU 61 CO 0.00 -1.29 1.17 0.21 -0.54 0.00 0.00 175.26 174.81 2q4g s LYS 62 N 4.69 4.32 0.18 4.30 2.20 -1.26 0.10 119.74 134.27 2q4g s LYS 62 Ca 0.73 1.89 -0.07 0.00 -0.36 0.00 0.00 55.97 58.16 2q4g s LYS 62 Cb -0.26 -2.93 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 2q4g s LYS 62 CO 0.30 -0.10 0.24 0.14 -0.36 0.00 0.00 175.35 175.57 2q4g s VAL 63 N -1.28 0.05 0.06 4.02 -7.23 0.56 -4.80 120.40 111.79 2q4g s VAL 63 Ca 0.51 -1.60 -0.30 0.00 -1.81 0.00 0.00 61.98 58.78 2q4g s VAL 63 Cb -0.33 -2.05 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 2q4g s VAL 63 CO 0.42 -0.24 0.99 -0.89 -0.31 0.00 0.00 175.10 175.08 2q4g s THR 64 N -4.02 4.59 0.76 5.32 2.01 -1.26 -3.56 115.64 119.47 2q4g s THR 64 Ca 0.23 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 64.12 2q4g s THR 64 Cb 0.04 -4.28 0.05 0.00 0.01 0.00 0.00 72.50 68.32 2q4g s THR 64 CO 0.04 0.23 1.08 0.00 -0.69 0.00 0.00 174.62 175.28 2q4g h LYS 66 N -1.02 0.11 -0.65 0.00 3.64 -1.90 0.12 116.57 116.86 2q4g h LYS 66 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2q4g h LYS 66 Cb 1.23 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2q4g h LYS 66 CO 0.55 0.07 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 2q4g n ASN 67 N -5.33 1.88 0.00 4.20 0.23 -1.26 -4.90 115.26 110.08 2q4g n ASN 67 Ca 0.12 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 52.01 2q4g n ASN 67 Cb 0.44 -0.41 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 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 0.40 2.48 3.76 4.83 0.00 0.40 -5.04 105.19 112.02 2q4g n GLY 68 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.44 2.94 0.19 1.61 -1.52 -1.26 -4.64 119.66 116.55 2q4g s GLN 69 Ca 0.00 1.74 0.16 0.00 -1.95 0.00 0.00 55.36 55.30 2q4g s GLN 69 Cb 0.00 -1.94 -0.02 0.00 -0.22 0.00 0.00 33.01 30.84 2q4g s GLN 69 CO 0.00 -1.21 1.20 0.78 -0.25 0.00 0.00 175.29 175.82 2q4g h GLY 70 N 0.74 0.00 -4.03 3.09 0.00 -1.94 0.32 103.07 101.25 2q4g h GLY 70 Ca -0.50 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 2q4g h GLY 70 CO 0.55 0.00 0.06 1.16 0.00 0.00 0.00 176.54 178.31 2q4g n ASN 71 N -3.08 2.06 -4.39 0.19 6.94 -1.26 -4.32 115.26 111.40 2q4g n ASN 71 Ca -0.02 -1.69 -0.24 0.00 -0.02 0.00 0.00 54.58 52.60 2q4g n ASN 71 Cb 0.77 -0.49 -0.11 0.00 -2.36 0.00 0.00 39.78 37.59 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 -1.89 0.66 -0.16 0.00 2.02 -0.30 -0.32 117.35 117.35 2q4g s TYR 73 Ca 0.19 -0.19 -0.12 0.00 -0.37 0.00 0.00 57.07 56.59 2q4g s TYR 73 Cb -0.07 -0.42 -0.05 0.00 -0.40 0.00 0.00 41.96 41.03 2q4g s TYR 73 CO 0.09 -0.02 0.22 0.21 -1.57 0.00 0.00 175.55 174.48 2q4g s LYS 74 N -0.43 4.08 0.51 -0.62 2.20 0.28 -1.99 119.74 123.78 2q4g s LYS 74 Ca 0.01 -0.02 -0.22 0.00 -0.36 0.00 0.00 55.97 55.37 2q4g s LYS 74 Cb -0.04 -3.37 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2q4g s LYS 74 CO -0.00 0.37 1.32 -1.54 -0.36 0.00 0.00 175.35 175.15 2q4g s SER 75 N 0.09 5.54 0.32 1.43 1.04 0.33 -3.43 113.70 119.03 2q4g s SER 75 Ca 0.14 2.68 0.24 0.00 0.48 0.00 0.00 55.95 59.49 2q4g s SER 75 Cb -0.12 -2.63 0.46 0.00 0.10 0.00 0.00 66.02 63.83 2q4g s SER 75 CO 0.03 -1.38 1.59 0.78 0.98 0.00 0.00 173.24 175.24 2q4g h ASN 76 N 1.70 0.00 -4.30 7.02 2.35 -1.95 -3.45 115.58 116.96 2q4g h ASN 76 Ca -0.51 -0.02 -0.52 0.00 -0.55 0.00 0.00 56.30 54.70 2q4g h ASN 76 Cb 1.28 0.00 -0.27 0.00 0.05 0.00 0.00 38.32 39.38 2q4g h ASN 76 CO 0.58 0.01 -0.82 -0.55 -1.65 0.00 0.00 177.43 175.00 2q4g s SER 77 N -5.43 2.04 0.71 5.81 0.15 -1.26 -5.13 113.70 110.59 2q4g s SER 77 Ca 0.07 -0.41 -0.14 0.00 0.70 0.00 0.00 55.95 56.17 2q4g s SER 77 Cb 0.08 -0.19 0.03 0.00 -1.71 0.00 0.00 66.02 64.23 2q4g s SER 77 CO 0.66 0.15 1.13 -0.94 1.20 0.00 0.00 173.24 175.44 2q4g s SER 78 N -0.83 4.69 0.14 5.45 1.04 -1.26 -4.62 113.70 118.30 2q4g s SER 78 Ca 0.06 2.06 0.02 0.00 0.48 0.00 0.00 55.95 58.57 2q4g s SER 78 Cb -0.08 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 2q4g s SER 78 CO 0.01 -1.92 -0.05 -0.04 0.98 0.00 0.00 173.24 172.22 2q4g s MET 79 N -4.21 1.00 -0.30 4.02 -1.94 0.75 -4.85 119.30 113.77 2q4g s MET 79 Ca 0.68 -1.44 -0.28 0.00 -1.71 0.00 0.00 55.69 52.93 2q4g s MET 79 Cb -0.22 -0.34 0.01 0.00 2.01 0.00 0.00 34.83 36.29 2q4g s MET 79 CO 0.45 -0.04 1.03 -1.01 -0.01 0.00 0.00 175.02 175.45 2q4g s HIS 80 N -3.56 3.20 0.17 -0.03 3.76 -1.26 -0.84 115.29 116.73 2q4g s HIS 80 Ca 0.18 1.21 0.00 0.00 -0.15 0.00 0.00 55.06 56.30 2q4g s HIS 80 Cb 0.05 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 30.15 2q4g s HIS 80 CO -0.00 -0.68 0.05 0.96 -0.85 0.00 0.00 174.74 174.22 2q4g s ILE 81 N 3.47 0.37 -0.06 0.60 -4.36 0.21 0.12 121.20 121.56 2q4g s ILE 81 Ca 0.44 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2q4g s ILE 81 Cb -0.13 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.38 2q4g s ILE 81 CO 0.13 -0.35 -0.16 -0.89 0.24 0.00 0.00 174.94 173.91 2q4g s THR 82 N -3.87 1.36 -0.15 8.37 2.01 -0.56 -0.88 115.64 121.92 2q4g s THR 82 Ca 0.28 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.52 2q4g s THR 82 Cb 0.07 -1.20 -0.05 0.00 0.01 0.00 0.00 72.50 71.33 2q4g s THR 82 CO 0.05 0.40 0.24 -1.81 -0.69 0.00 0.00 174.62 172.82 2q4g s ASP 83 N 0.36 6.40 -0.09 3.53 1.11 0.16 -2.09 116.67 126.05 2q4g s ASP 83 Ca -0.11 0.47 0.04 0.00 0.18 0.00 0.00 52.55 53.13 2q4g s ASP 83 Cb -0.14 -2.15 -0.00 0.00 1.07 0.00 0.00 42.92 41.69 2q4g s ASP 83 CO 0.04 0.17 -0.23 0.00 1.18 0.00 0.00 175.17 176.33 2q4g s ARG 85 N 0.22 0.09 0.55 0.00 3.52 -1.06 -0.97 118.95 121.30 2q4g s ARG 85 Ca -0.15 0.48 -0.21 0.00 -0.13 0.00 0.00 55.73 55.72 2q4g s ARG 85 Cb -0.17 -0.19 -0.06 0.00 -1.56 0.00 0.00 34.95 32.97 2q4g s ARG 85 CO 0.08 -0.22 1.16 -0.11 -0.81 0.00 0.00 175.30 175.39 2q4g n LEU 86 N 4.66 4.42 -4.83 -0.88 7.94 -0.50 -0.37 117.00 127.43 2q4g n LEU 86 Ca -0.18 0.92 -0.30 0.00 -1.11 0.00 0.00 56.01 55.34 2q4g n LEU 86 Cb 0.51 -1.47 0.07 0.00 0.53 0.00 0.00 43.42 43.06 2q4g n LEU 86 CO 0.12 -1.20 0.72 0.42 -1.11 0.00 0.00 177.39 176.35 2q4g s THR 87 N -1.37 3.34 -1.54 1.96 -4.23 -0.27 -4.79 115.64 108.74 2q4g s THR 87 Ca 0.72 0.44 0.29 0.00 -1.18 0.00 0.00 61.69 61.96 2q4g s THR 87 Cb -0.44 -3.26 0.57 0.00 1.34 0.00 0.00 72.50 70.71 2q4g s THR 87 CO 0.49 -0.57 2.03 0.59 -0.54 0.00 0.00 174.62 176.62 2q4g n ASN 88 N -3.25 0.00 -0.42 3.99 3.02 -1.26 -3.19 115.26 114.15 2q4g n ASN 88 Ca 0.07 -0.29 0.05 0.00 -0.03 0.00 0.00 54.58 54.38 2q4g n ASN 88 Cb 0.56 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.55 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 1.11 -0.25 3.73 7.41 0.00 -1.26 -5.02 105.19 110.91 2q4g n GLY 89 Ca 0.15 -0.29 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 2q4g n GLY 89 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2q4g s SER 90 N -0.85 7.13 -0.09 1.61 0.15 -1.19 -5.04 113.70 115.42 2q4g s SER 90 Ca 0.12 2.11 -0.00 0.00 0.70 0.00 0.00 55.95 58.88 2q4g s SER 90 Cb 0.09 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 2q4g s SER 90 CO 0.13 -0.37 -0.05 -0.60 1.20 0.00 0.00 173.24 173.54 2q4g s ARG 91 N 0.26 1.14 0.30 5.44 3.52 -1.24 -4.98 118.95 123.40 2q4g s ARG 91 Ca 0.54 -0.12 -0.26 0.00 -0.13 0.00 0.00 55.73 55.76 2q4g s ARG 91 Cb -0.31 -1.27 -0.15 0.00 -1.56 0.00 0.00 34.95 31.67 2q4g s ARG 91 CO 0.33 -0.23 0.73 0.98 -0.81 0.00 0.00 175.30 176.30 2q4g n TYR 92 N 4.82 0.25 1.48 5.12 9.36 -1.26 -1.55 117.16 135.37 2q4g n TYR 92 Ca -0.13 0.75 0.07 0.00 3.32 0.00 0.00 57.90 61.91 2q4g n TYR 92 Cb 0.50 -2.09 0.28 0.00 -0.63 0.00 0.00 39.34 37.40 2q4g n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2q4g n PRO 93 N 0.77 1.43 -2.98 2.98 -0.04 -1.26 -5.02 135.00 130.89 2q4g n PRO 93 Ca 0.13 -0.65 -0.44 0.00 -0.04 0.00 0.00 63.50 62.49 2q4g n PRO 93 Cb 0.32 -1.26 -0.01 0.00 -0.04 0.00 0.00 33.50 32.52 2q4g n PRO 93 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2q4g s ASN 94 N -1.30 6.99 -0.61 3.54 0.01 -0.59 -4.97 114.94 118.00 2q4g s ASN 94 Ca 0.22 -2.84 -0.24 0.00 -0.71 0.00 0.00 52.86 49.29 2q4g s ASN 94 Cb 0.11 -2.38 0.05 0.00 0.41 0.00 0.00 41.25 39.44 2q4g s ASN 94 CO 0.17 -0.77 1.01 0.00 -1.51 0.00 0.00 177.10 175.99 2q4g s ALA 96 N 4.29 3.68 0.08 0.00 0.00 -1.26 -4.85 121.76 123.70 2q4g s ALA 96 Ca 0.29 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.61 2q4g s ALA 96 Cb -0.13 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.15 2q4g s ALA 96 CO 0.16 0.60 -0.15 0.71 0.00 0.00 0.00 175.76 177.09 2q4g s TYR 97 N -0.97 1.31 0.41 0.00 1.51 -1.26 -1.12 117.35 117.23 2q4g s TYR 97 Ca 0.14 -0.47 -0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2q4g s TYR 97 Cb -0.12 -0.73 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 2q4g s TYR 97 CO 0.03 0.08 0.71 0.50 -1.11 0.00 0.00 175.55 175.77 2q4g s ARG 98 N -1.89 3.62 -0.11 -0.62 3.52 0.50 -4.70 118.95 119.27 2q4g s ARG 98 Ca 0.00 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.79 2q4g s ARG 98 Cb -0.09 -2.47 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 2q4g s ARG 98 CO 0.03 -0.04 -0.15 0.99 -0.81 0.00 0.00 175.30 175.32 2q4g s THR 99 N -2.46 1.50 -0.28 4.11 2.01 -1.26 -2.56 115.64 116.70 2q4g s THR 99 Ca 0.47 -0.64 -0.03 0.00 0.31 0.00 0.00 61.69 61.80 2q4g s THR 99 Cb -0.10 -1.37 0.09 0.00 0.01 0.00 0.00 72.50 71.13 2q4g s THR 99 CO 0.37 0.44 0.10 -0.44 -0.69 0.00 0.00 174.62 174.41 2q4g s SER 100 N 0.98 3.60 0.13 3.53 0.01 -0.00 -4.90 113.70 117.04 2q4g s SER 100 Ca -0.07 -1.34 -0.22 0.00 1.31 0.00 0.00 55.95 55.63 2q4g s SER 100 Cb -0.15 -0.58 -0.07 0.00 0.21 0.00 0.00 66.02 65.43 2q4g s SER 100 CO -0.01 -0.41 0.69 -2.16 0.41 0.00 0.00 173.24 171.75 2q4g s PRO 101 N 1.88 4.39 0.15 12.44 0.04 -1.26 0.38 135.00 153.03 2q4g s PRO 101 Ca 0.08 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.83 2q4g s PRO 101 Cb -0.17 -3.22 0.07 0.00 0.04 0.00 0.00 34.50 31.22 2q4g s PRO 101 CO -0.27 0.58 0.99 -1.59 0.04 0.00 0.00 177.00 176.75 2q4g s LYS 102 N -1.21 1.20 -0.22 4.56 -2.85 -0.06 -4.96 119.74 116.19 2q4g s LYS 102 Ca 0.34 -0.68 -0.04 0.00 -1.00 0.00 0.00 55.97 54.59 2q4g s LYS 102 Cb -0.21 0.39 -0.00 0.00 -2.06 0.00 0.00 37.83 35.95 2q4g s LYS 102 CO 0.23 -0.55 -0.05 -1.21 0.10 0.00 0.00 175.35 173.87 2q4g s GLU 103 N -3.05 3.31 0.06 1.78 2.02 -1.26 -0.62 118.70 120.94 2q4g s GLU 103 Ca 0.14 -0.67 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 2q4g s GLU 103 Cb -0.01 -3.00 -0.01 0.00 0.10 0.00 0.00 34.13 31.21 2q4g s GLU 103 CO 0.03 -0.22 0.15 1.03 0.02 0.00 0.00 175.26 176.26 2q4g s ARG 104 N 1.46 0.72 0.63 1.61 1.81 -0.02 -4.79 118.95 120.37 2q4g s ARG 104 Ca 0.05 -0.84 -0.14 0.00 -1.72 0.00 0.00 55.73 53.09 2q4g s ARG 104 Cb -0.14 0.29 -0.02 0.00 -0.45 0.00 0.00 34.95 34.62 2q4g s ARG 104 CO -0.04 -0.21 1.06 -1.01 -0.68 0.00 0.00 175.30 174.43 2q4g s HIS 105 N -3.19 3.01 0.23 -0.53 3.76 0.22 -0.18 115.29 118.60 2q4g s HIS 105 Ca -0.00 1.49 0.11 0.00 -0.15 0.00 0.00 55.06 56.51 2q4g s HIS 105 Cb 0.02 -2.97 -0.05 0.00 1.11 0.00 0.00 32.58 30.69 2q4g s HIS 105 CO -0.07 -1.17 -0.22 0.96 -0.85 0.00 0.00 174.74 173.39 2q4g s ILE 106 N -2.65 2.37 -0.05 0.60 -4.36 -1.26 -0.00 121.20 115.84 2q4g s ILE 106 Ca 0.62 -2.17 0.03 0.00 -0.26 0.00 0.00 60.65 58.87 2q4g s ILE 106 Cb -0.15 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.38 2q4g s ILE 106 CO 0.43 -0.24 -0.15 -0.63 0.24 0.00 0.00 174.94 174.59 2q4g s ILE 107 N -2.03 1.27 0.03 8.37 1.01 0.74 -0.51 121.20 130.08 2q4g s ILE 107 Ca 0.24 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.29 2q4g s ILE 107 Cb -0.07 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.26 2q4g s ILE 107 CO 0.12 0.38 -0.04 0.68 0.00 0.00 0.00 174.94 176.07 2q4g s VAL 108 N 0.27 0.22 0.13 2.92 -7.23 -0.84 -0.08 120.40 115.79 2q4g s VAL 108 Ca -0.08 -1.17 -0.07 0.00 -1.81 0.00 0.00 61.98 58.85 2q4g s VAL 108 Cb -0.13 -0.64 -0.06 0.00 0.56 0.00 0.00 36.38 36.12 2q4g s VAL 108 CO 0.03 -0.61 0.40 0.00 -0.31 0.00 0.00 175.10 174.62 2q4g s ALA 109 N -2.06 3.74 0.09 1.32 0.00 -0.98 -1.16 121.76 122.71 2q4g s ALA 109 Ca -0.09 -0.47 0.05 0.00 0.00 0.00 0.00 51.96 51.45 2q4g s ALA 109 Cb -0.06 -2.21 -0.03 0.00 0.00 0.00 0.00 23.12 20.82 2q4g s ALA 109 CO -0.03 0.62 -0.13 0.00 0.00 0.00 0.00 175.76 176.22 2q4g n GLU 111 N 0.98 0.26 -1.13 0.00 2.13 -1.14 -4.91 120.64 116.82 2q4g n GLU 111 Ca -0.19 -0.51 0.15 0.00 0.66 0.00 0.00 57.16 57.27 2q4g n GLU 111 Cb 0.55 0.64 -0.04 0.00 0.27 0.00 0.00 31.44 32.87 2q4g n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2q4g n GLY 112 N -0.14 -1.89 2.72 8.31 0.00 -1.26 -1.81 105.19 111.11 2q4g n GLY 112 Ca -0.02 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.53 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 -6.20 2.59 0.87 1.61 0.15 -1.26 -2.58 113.70 108.89 2q4g s SER 113 Ca 0.00 -0.67 -0.10 0.00 0.70 0.00 0.00 55.95 55.88 2q4g s SER 113 Cb 0.00 -0.50 0.12 0.00 -1.71 0.00 0.00 66.02 63.93 2q4g s SER 113 CO 0.00 -0.30 1.13 -2.16 1.20 0.00 0.00 173.24 173.11 2q4g s PRO 114 N 1.93 1.39 -0.80 5.44 0.04 -1.26 -5.07 135.00 136.67 2q4g s PRO 114 Ca 0.01 1.43 -0.26 0.00 0.04 0.00 0.00 61.00 62.21 2q4g s PRO 114 Cb -0.16 -1.78 0.03 0.00 0.04 0.00 0.00 34.50 32.62 2q4g s PRO 114 CO -0.08 -2.33 1.42 -0.47 0.04 0.00 0.00 177.00 175.58 2q4g s TYR 115 N -2.73 2.25 0.33 0.56 6.04 -1.06 -4.88 117.35 117.86 2q4g s TYR 115 Ca 0.65 -0.12 0.09 0.00 0.04 0.00 0.00 57.07 57.73 2q4g s TYR 115 Cb -0.21 -4.56 -0.06 0.00 -1.04 0.00 0.00 41.96 36.09 2q4g s TYR 115 CO 0.57 -2.06 -0.09 0.14 -1.54 0.00 0.00 175.55 172.58 2q4g s VAL 116 N 6.14 2.12 0.07 3.14 -7.23 -0.75 -4.82 120.40 119.07 2q4g s VAL 116 Ca 0.43 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.10 2q4g s VAL 116 Cb -0.07 -2.61 -0.06 0.00 0.56 0.00 0.00 36.38 34.21 2q4g s VAL 116 CO 0.09 -0.22 1.26 -2.84 -0.31 0.00 0.00 175.10 173.08 2q4g s PRO 117 N -3.63 4.39 -0.02 4.82 0.02 -1.26 -2.89 135.00 136.42 2q4g s PRO 117 Ca 0.32 1.86 0.03 0.00 0.02 0.00 0.00 61.00 63.23 2q4g s PRO 117 Cb 0.03 -3.34 0.05 0.00 0.02 0.00 0.00 34.50 31.26 2q4g s PRO 117 CO 0.16 -0.33 0.87 1.33 -0.33 0.00 0.00 177.00 178.69 2q4g n VAL 118 N 3.99 0.53 -3.61 3.83 0.24 -1.04 -4.52 118.33 117.75 2q4g n VAL 118 Ca 0.10 -0.60 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 2q4g n VAL 118 Cb 0.45 0.53 -0.07 0.00 -1.47 0.00 0.00 33.84 33.28 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 -0.71 -0.54 -0.27 6.34 5.65 -1.24 -4.64 115.29 119.87 2q4g s HIS 119 Ca 0.06 1.21 -0.05 0.00 0.25 0.00 0.00 55.06 56.52 2q4g s HIS 119 Cb 0.05 0.37 0.01 0.00 -1.18 0.00 0.00 32.58 31.83 2q4g s HIS 119 CO 0.01 -0.33 0.03 0.12 -0.65 0.00 0.00 174.74 173.92 2q4g s PHE 120 N -0.18 3.11 -0.14 3.88 5.36 -1.26 -2.33 117.98 126.42 2q4g s PHE 120 Ca -0.00 -1.10 -0.06 0.00 -0.96 0.00 0.00 56.93 54.81 2q4g s PHE 120 Cb -0.03 -2.19 -0.25 0.00 -0.34 0.00 0.00 43.02 40.21 2q4g s PHE 120 CO -0.01 -0.60 0.27 -3.47 -1.46 0.00 0.00 175.22 169.95 2q4g n ASP 121 N 4.81 2.10 -3.61 6.13 -0.08 0.88 -4.98 116.55 121.80 2q4g n ASP 121 Ca -0.15 0.17 0.01 0.00 -1.51 0.00 0.00 54.79 53.31 2q4g n ASP 121 Cb 0.48 -0.81 -0.01 0.00 2.34 0.00 0.00 41.12 43.13 2q4g n ASP 121 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2q4g s ALA 122 N -2.54 -2.23 0.02 -1.67 0.00 -1.13 -4.90 121.76 109.30 2q4g s ALA 122 Ca -0.25 0.86 0.07 0.00 0.00 0.00 0.00 51.96 52.65 2q4g s ALA 122 Cb 0.07 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 2q4g s ALA 122 CO 0.74 -0.98 -0.20 -1.54 0.00 0.00 0.00 175.76 173.77 2q4g s SER 123 N -2.85 2.43 -0.05 0.00 1.04 -1.26 -0.19 113.70 112.82 2q4g s SER 123 Ca 0.13 -0.46 0.06 0.00 0.48 0.00 0.00 55.95 56.16 2q4g s SER 123 Cb 0.04 -0.23 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 2q4g s SER 123 CO -0.04 0.19 -0.25 -0.69 0.98 0.00 0.00 173.24 173.43 2q4g s VAL 124 N -0.68 2.02 -0.47 5.02 1.01 1.00 -4.93 120.40 123.37 2q4g s VAL 124 Ca 0.08 -1.05 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2q4g s VAL 124 Cb -0.08 -1.70 0.12 0.00 0.00 0.00 0.00 36.38 34.71 2q4g s VAL 124 CO 0.01 0.56 0.34 -0.70 0.00 0.00 0.00 175.10 175.31 2q4g s GLU 125 N -0.19 2.49 -0.05 2.72 2.12 -1.26 -0.61 118.70 123.92 2q4g s GLU 125 Ca -0.03 -1.74 0.07 0.00 0.36 0.00 0.00 54.97 53.64 2q4g s GLU 125 Cb -0.13 -3.91 0.11 0.00 0.26 0.00 0.00 34.13 30.45 2q4g s GLU 125 CO 0.03 -1.17 1.04 -0.40 -0.54 0.00 0.00 175.26 174.22 2q4g n ASP 126 N 4.91 2.02 0.00 -1.70 3.85 -1.26 -5.08 116.55 119.29 2q4g n ASP 126 Ca -0.08 -2.38 0.00 0.00 -0.71 0.00 0.00 54.79 51.62 2q4g n ASP 126 Cb 0.41 -0.17 0.00 0.00 -1.35 0.00 0.00 41.12 40.01 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65