#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 4.34 0.41 4.31 1.04 -1.26 -4.79 113.70 117.75 2q4g s SER 3 Ca 0.00 1.89 0.07 0.00 0.48 0.00 0.00 55.95 58.39 2q4g s SER 3 Cb 0.00 -2.53 0.85 0.00 0.10 0.00 0.00 66.02 64.44 2q4g s SER 3 CO 0.00 -2.14 2.04 0.03 0.98 0.00 0.00 173.24 174.15 2q4g h ARG 4 N -1.13 0.50 -0.17 4.02 2.47 -1.97 0.13 114.38 118.22 2q4g h ARG 4 Ca -0.44 -0.04 -0.13 0.00 -1.26 0.00 0.00 59.98 58.12 2q4g h ARG 4 Cb 1.24 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 2q4g h ARG 4 CO 0.50 0.36 -0.38 0.00 0.56 0.00 0.00 179.97 181.01 2q4g h ALA 5 N 1.73 0.28 -0.04 0.04 0.00 -1.91 -2.00 119.26 117.36 2q4g h ALA 5 Ca 0.13 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.48 2q4g h ALA 5 Cb -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2q4g h ALA 5 CO -0.02 0.36 -0.51 0.87 0.00 0.00 0.00 179.25 179.95 2q4g h LYS 6 N 0.22 0.10 -0.04 0.00 1.57 -1.79 -0.61 116.57 116.01 2q4g h LYS 6 Ca 0.00 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2q4g h LYS 6 Cb 0.98 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2q4g h LYS 6 CO 0.08 0.59 0.02 -0.22 -0.57 0.00 0.00 179.45 179.35 2q4g h LYS 7 N 0.08 0.05 -0.32 3.15 3.64 -0.67 0.58 116.57 123.08 2q4g h LYS 7 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2q4g h LYS 7 Cb 0.93 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 2q4g h LYS 7 CO 0.07 0.13 0.17 0.35 -2.27 0.00 0.00 179.45 177.91 2q4g h PHE 8 N -0.04 0.42 0.06 1.91 3.57 -1.14 -2.06 116.94 119.65 2q4g h PHE 8 Ca 0.01 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2q4g h PHE 8 Cb 0.10 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.70 2q4g h PHE 8 CO -0.04 0.31 -0.03 1.96 -2.23 0.00 0.00 178.31 178.28 2q4g h GLN 9 N 0.45 -0.07 -0.87 1.11 4.20 0.32 -2.70 115.11 117.54 2q4g h GLN 9 Ca 0.12 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.84 2q4g h GLN 9 Cb 0.02 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.78 2q4g h GLN 9 CO -0.02 0.32 0.57 -0.09 -0.67 0.00 0.00 178.83 178.94 2q4g h ARG 10 N -0.48 1.15 -0.65 1.46 2.43 0.42 -1.55 114.38 117.15 2q4g h ARG 10 Ca -0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2q4g h ARG 10 Cb 0.43 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2q4g h ARG 10 CO 0.01 0.76 0.00 1.04 -1.51 0.00 0.00 179.97 180.28 2q4g n GLN 11 N -4.47 4.02 0.00 0.20 6.02 -0.80 -4.55 117.38 117.79 2q4g n GLN 11 Ca 0.09 -2.54 0.00 0.00 -0.01 0.00 0.00 57.00 54.54 2q4g n GLN 11 Cb 0.02 -2.06 0.00 0.00 1.02 0.00 0.00 30.24 29.21 2q4g n GLN 11 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2q4g n HIS 12 N 0.59 0.00 -3.86 1.08 8.25 -1.02 -4.74 115.22 115.52 2q4g n HIS 12 Ca 0.22 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.33 2q4g n HIS 12 Cb 0.97 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 32.01 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 -0.09 3.88 -0.42 -0.41 -1.94 -0.59 -0.96 119.30 118.77 2q4g s MET 13 Ca 0.00 -0.23 0.08 0.00 -1.71 0.00 0.00 55.69 53.83 2q4g s MET 13 Cb 0.00 -3.28 0.29 0.00 2.01 0.00 0.00 34.83 33.85 2q4g s MET 13 CO 0.00 0.45 0.82 -3.47 -0.01 0.00 0.00 175.02 172.80 2q4g n ASP 14 N 3.03 -0.98 -0.25 3.03 2.03 -1.01 -4.88 116.55 117.53 2q4g n ASP 14 Ca -0.17 -3.19 -0.06 0.00 0.52 0.00 0.00 54.79 51.89 2q4g n ASP 14 Cb 0.53 0.59 0.05 0.00 -0.72 0.00 0.00 41.12 41.56 2q4g n ASP 14 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2q4g h SER 15 N 3.45 0.89 -0.01 1.67 0.02 -1.71 -3.27 113.55 114.59 2q4g h SER 15 Ca -0.01 -0.13 0.02 0.00 -0.84 0.00 0.00 61.79 60.82 2q4g h SER 15 Cb 1.00 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2q4g h SER 15 CO 0.36 0.78 -0.11 0.44 -1.14 0.00 0.00 176.83 177.15 2q4g h ASP 16 N 0.95 -0.32 -3.68 3.07 3.32 -1.92 -3.41 116.42 114.42 2q4g h ASP 16 Ca 0.23 0.05 -0.56 0.00 0.02 0.00 0.00 57.03 56.78 2q4g h ASP 16 Cb 0.12 0.14 0.18 0.00 0.22 0.00 0.00 39.33 39.99 2q4g h ASP 16 CO -0.03 -0.16 0.04 -1.20 -1.72 0.00 0.00 179.24 176.18 2q4g n SER 17 N -5.24 0.30 -4.83 6.45 7.64 -1.23 -5.00 113.62 111.71 2q4g n SER 17 Ca -0.05 0.67 -0.30 0.00 1.01 0.00 0.00 58.87 60.20 2q4g n SER 17 Cb 0.16 -1.38 0.08 0.00 -1.01 0.00 0.00 64.21 62.06 2q4g n SER 17 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2q4g s SER 18 N -1.57 4.75 0.06 6.43 1.04 -1.26 -4.86 113.70 118.29 2q4g s SER 18 Ca 0.73 1.20 -0.22 0.00 0.48 0.00 0.00 55.95 58.15 2q4g s SER 18 Cb -0.35 -1.94 -0.13 0.00 0.10 0.00 0.00 66.02 63.70 2q4g s SER 18 CO 0.51 -1.79 1.50 -0.65 0.98 0.00 0.00 173.24 173.79 2q4g h PRO 19 N -0.97 0.21 -5.07 4.02 0.11 -1.94 -3.39 132.00 124.97 2q4g h PRO 19 Ca -0.46 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2q4g h PRO 19 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 2q4g h PRO 19 CO 0.61 0.43 0.27 0.43 -0.21 0.00 0.00 178.00 179.54 2q4g n SER 20 N -4.81 0.49 -4.74 -2.05 7.64 -1.26 -4.88 113.62 104.01 2q4g n SER 20 Ca -0.06 -2.16 -0.41 0.00 1.01 0.00 0.00 58.87 57.26 2q4g n SER 20 Cb 0.19 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.91 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 6.46 7.32 0.54 6.43 0.01 -1.26 -5.03 113.70 128.16 2q4g s SER 21 Ca 0.63 2.04 -0.17 0.00 1.31 0.00 0.00 55.95 59.76 2q4g s SER 21 Cb -0.05 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.52 2q4g s SER 21 CO 0.14 -0.18 1.04 -0.94 0.41 0.00 0.00 173.24 173.71 2q4g s SER 22 N -0.15 6.09 0.41 2.44 1.04 -1.26 -4.86 113.70 117.41 2q4g s SER 22 Ca 0.49 1.83 0.17 0.00 0.48 0.00 0.00 55.95 58.92 2q4g s SER 22 Cb -0.28 -2.54 0.95 0.00 0.10 0.00 0.00 66.02 64.25 2q4g s SER 22 CO 0.34 -0.96 1.47 0.77 0.98 0.00 0.00 173.24 175.84 2q4g h SER 23 N 0.91 0.00 -0.42 7.02 4.64 -1.96 0.59 113.55 124.33 2q4g h SER 23 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2q4g h SER 23 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2q4g h SER 23 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 2q4g n THR 24 N -2.26 0.92 0.43 2.95 -2.24 -1.26 -4.48 114.28 108.34 2q4g n THR 24 Ca -0.01 -0.96 -0.19 0.00 -2.27 0.00 0.00 64.05 60.62 2q4g n THR 24 Cb 0.32 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 69.02 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 2.68 -1.00 -0.91 4.78 3.20 -0.14 -2.72 116.97 122.87 2q4g h TYR 25 Ca 0.00 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.98 2q4g h TYR 25 Cb 0.79 0.33 -0.09 0.00 1.54 0.00 0.00 36.73 39.30 2q4g h TYR 25 CO 0.28 -0.61 0.52 0.00 -1.64 0.00 0.00 178.16 176.71 2q4g h ASN 27 N 0.78 0.92 0.29 0.00 2.35 -1.80 -1.20 115.58 116.93 2q4g h ASN 27 Ca 0.48 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.19 2q4g h ASN 27 Cb 0.59 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.73 2q4g h ASN 27 CO -0.31 0.66 -0.14 -0.61 -1.65 0.00 0.00 177.43 175.38 2q4g h GLN 28 N 1.09 -0.38 -0.30 0.81 4.15 -0.71 -3.33 115.11 116.44 2q4g h GLN 28 Ca 0.30 0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.61 2q4g h GLN 28 Cb -0.10 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2q4g h GLN 28 CO -0.07 -0.04 -0.39 0.52 -1.93 0.00 0.00 178.83 176.91 2q4g h MET 29 N -0.82 0.72 -0.57 1.69 2.86 -1.09 -1.79 114.93 115.94 2q4g h MET 29 Ca -0.04 -0.37 0.05 0.00 -2.06 0.00 0.00 59.70 57.28 2q4g h MET 29 Cb 0.51 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 2q4g h MET 29 CO 0.07 0.99 0.38 0.52 1.06 0.00 0.00 176.91 179.92 2q4g h MET 30 N 0.59 0.56 0.20 1.72 2.86 -1.37 0.16 114.93 119.66 2q4g h MET 30 Ca 0.05 -0.03 -0.30 0.00 -2.06 0.00 0.00 59.70 57.36 2q4g h MET 30 Cb 0.93 -0.13 0.03 0.00 0.06 0.00 0.00 31.60 32.49 2q4g h MET 30 CO 0.09 0.37 -1.36 0.00 1.06 0.00 0.00 176.91 177.07 2q4g h ARG 31 N 0.58 0.43 -0.61 1.72 3.08 -1.64 0.16 114.38 118.09 2q4g h ARG 31 Ca 0.24 -0.73 0.02 0.00 0.07 0.00 0.00 59.98 59.57 2q4g h ARG 31 Cb 0.21 0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2q4g h ARG 31 CO -0.07 1.35 0.41 0.00 -1.07 0.00 0.00 179.97 180.59 2q4g h ARG 32 N -0.04 0.77 -0.65 0.04 3.08 -0.83 -2.34 114.38 114.42 2q4g h ARG 32 Ca -0.25 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.75 2q4g h ARG 32 Cb 1.99 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.86 2q4g h ARG 32 CO 0.21 0.51 0.00 0.54 -1.07 0.00 0.00 179.97 180.15 2q4g n ARG 33 N -4.45 3.99 -3.64 0.04 5.12 0.53 -4.95 116.66 113.29 2q4g n ARG 33 Ca 0.07 -2.55 -0.24 0.00 -1.93 0.00 0.00 57.85 53.20 2q4g n ARG 33 Cb 0.08 -2.05 0.07 0.00 -1.16 0.00 0.00 32.46 29.40 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 0.62 -5.05 -0.84 0.55 3.02 -0.88 -4.75 115.26 107.93 2q4g n ASN 34 Ca 0.23 -0.62 0.08 0.00 -0.03 0.00 0.00 54.58 54.24 2q4g n ASN 34 Cb 0.97 -4.78 0.17 0.00 -0.61 0.00 0.00 39.78 35.52 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 -4.76 2.25 -0.76 3.52 2.81 0.04 -4.36 117.12 115.87 2q4g n MET 35 Ca -0.05 -2.01 0.05 0.00 -1.81 0.00 0.00 57.70 53.88 2q4g n MET 35 Cb 0.58 -1.37 0.18 0.00 -0.71 0.00 0.00 33.22 31.90 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 0.98 1.93 -3.62 2.03 -2.24 -1.22 -1.30 114.28 110.83 2q4g n THR 36 Ca 0.14 -2.98 -0.37 0.00 -2.27 0.00 0.00 64.05 58.58 2q4g n THR 36 Cb 0.47 -0.10 -0.09 0.00 -2.10 0.00 0.00 70.33 68.51 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 -2.83 4.07 0.00 -0.78 -0.21 -1.26 -4.53 119.66 114.11 2q4g s GLN 37 Ca 0.38 -0.23 0.00 0.00 0.02 0.00 0.00 55.36 55.53 2q4g s GLN 37 Cb 0.37 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.83 2q4g s GLN 37 CO -0.08 0.02 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2q4g n GLY 38 N 4.34 1.88 3.05 3.09 0.00 -1.26 -4.79 105.19 111.51 2q4g n GLY 38 Ca -0.14 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.50 -0.15 1.61 1.81 -1.26 -5.01 118.95 116.45 2q4g s ARG 39 Ca 0.00 -0.79 -0.28 0.00 -1.72 0.00 0.00 55.73 52.94 2q4g s ARG 39 Cb 0.00 -0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.32 2q4g s ARG 39 CO 0.00 0.01 0.95 0.00 -0.68 0.00 0.00 175.30 175.58 2q4g s LYS 41 N 2.30 4.20 0.25 0.00 2.20 -0.42 -4.90 119.74 123.37 2q4g s LYS 41 Ca 0.44 2.40 -0.02 0.00 -0.36 0.00 0.00 55.97 58.43 2q4g s LYS 41 Cb -0.17 -3.12 0.30 0.00 -1.51 0.00 0.00 37.83 33.34 2q4g s LYS 41 CO 0.13 -0.59 1.72 -1.00 -0.36 0.00 0.00 175.35 175.26 2q4g h PRO 42 N 6.18 0.74 -2.74 4.03 0.13 -1.94 -3.42 132.00 134.99 2q4g h PRO 42 Ca -0.44 -0.24 -0.12 0.00 -0.87 0.00 0.00 66.00 64.34 2q4g h PRO 42 Cb 1.21 -0.07 -0.23 0.00 0.13 0.00 0.00 31.00 32.04 2q4g h PRO 42 CO 0.87 0.82 -0.21 0.54 -0.23 0.00 0.00 178.00 179.79 2q4g s VAL 43 N -4.81 0.01 -0.09 1.56 0.11 -1.26 -1.48 120.40 114.44 2q4g s VAL 43 Ca -0.09 -0.09 -0.23 0.00 -2.93 0.00 0.00 61.98 58.64 2q4g s VAL 43 Cb 0.14 -0.61 0.05 0.00 -1.53 0.00 0.00 36.38 34.43 2q4g s VAL 43 CO 0.81 -0.05 0.55 0.21 -3.33 0.00 0.00 175.10 173.29 2q4g s ASN 44 N -0.12 -0.51 -0.07 3.54 2.47 0.01 -5.01 114.94 115.24 2q4g s ASN 44 Ca -0.03 0.67 0.03 0.00 0.42 0.00 0.00 52.86 53.96 2q4g s ASN 44 Cb -0.03 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 2q4g s ASN 44 CO 0.02 -0.44 -0.17 -0.89 -3.72 0.00 0.00 177.10 171.89 2q4g s THR 45 N -0.79 1.51 0.07 -5.21 2.01 -1.26 -0.59 115.64 111.38 2q4g s THR 45 Ca -0.08 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.22 2q4g s THR 45 Cb -0.03 -1.33 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 2q4g s THR 45 CO 0.06 0.44 0.13 -0.36 -0.69 0.00 0.00 174.62 174.19 2q4g s PHE 46 N 0.37 3.31 -0.22 4.92 0.08 -1.10 -4.57 117.98 120.77 2q4g s PHE 46 Ca -0.12 0.14 -0.05 0.00 0.12 0.00 0.00 56.93 57.02 2q4g s PHE 46 Cb -0.15 -1.67 -0.02 0.00 -0.57 0.00 0.00 43.02 40.61 2q4g s PHE 46 CO 0.05 0.55 -0.01 0.08 -0.10 0.00 0.00 175.22 175.78 2q4g s VAL 47 N -1.43 3.70 -1.08 -0.44 1.01 -0.13 -2.29 120.40 119.74 2q4g s VAL 47 Ca 0.31 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 61.88 2q4g s VAL 47 Cb -0.12 -2.69 0.29 0.00 0.00 0.00 0.00 36.38 33.85 2q4g s VAL 47 CO 0.24 0.41 1.89 1.41 0.00 0.00 0.00 175.10 179.05 2q4g n HIS 48 N 4.66 2.70 -4.13 5.22 -0.00 0.38 -2.39 115.22 121.66 2q4g n HIS 48 Ca -0.17 -2.60 -0.15 0.00 -0.00 0.00 0.00 57.72 54.79 2q4g n HIS 48 Cb 0.51 -1.31 -0.11 0.00 -0.00 0.00 0.00 29.99 29.08 2q4g n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2q4g s GLU 49 N -3.65 0.71 0.64 -0.41 0.41 -1.26 -4.67 118.70 110.47 2q4g s GLU 49 Ca 0.41 -0.96 -0.18 0.00 -0.41 0.00 0.00 54.97 53.84 2q4g s GLU 49 Cb 0.18 -0.50 -0.03 0.00 -1.78 0.00 0.00 34.13 32.00 2q4g s GLU 49 CO -0.10 0.09 0.99 -2.30 -0.49 0.00 0.00 175.26 173.44 2q4g n PRO 50 N 1.07 0.79 -0.30 0.39 -0.02 -1.26 -4.10 135.00 131.57 2q4g n PRO 50 Ca -0.20 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.64 2q4g n PRO 50 Cb 0.56 -2.21 0.24 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.26 0.91 -1.47 2.45 5.85 -1.96 -1.93 115.31 119.43 2q4g h LEU 51 Ca -0.49 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.26 2q4g h LEU 51 Cb 1.36 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 2q4g h LEU 51 CO 0.50 0.59 0.38 1.62 -0.34 0.00 0.00 178.44 181.19 2q4g h VAL 52 N 1.04 1.10 -0.57 1.05 3.04 -1.98 0.18 116.25 120.10 2q4g h VAL 52 Ca 0.39 -0.24 -0.06 0.00 -1.01 0.00 0.00 66.70 65.77 2q4g h VAL 52 Cb 0.18 0.32 -0.02 0.00 -2.01 0.00 0.00 31.29 29.76 2q4g h VAL 52 CO -0.14 0.13 0.12 0.44 -1.01 0.00 0.00 177.57 177.10 2q4g h ASP 53 N 0.71 0.89 -0.08 3.17 3.32 -1.68 0.91 116.42 123.66 2q4g h ASP 53 Ca 0.23 -0.25 -0.23 0.00 0.02 0.00 0.00 57.03 56.80 2q4g h ASP 53 Cb 0.03 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.36 2q4g h ASP 53 CO -0.06 0.91 -0.82 0.58 -1.72 0.00 0.00 179.24 178.13 2q4g h VAL 54 N 0.84 1.29 -0.62 -1.35 2.07 -1.35 -3.06 116.25 114.07 2q4g h VAL 54 Ca 0.18 -2.04 0.05 0.00 0.82 0.00 0.00 66.70 65.70 2q4g h VAL 54 Cb 0.38 2.06 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2q4g h VAL 54 CO 0.01 0.64 0.41 1.56 0.02 0.00 0.00 177.57 180.21 2q4g h GLN 55 N 0.49 0.65 0.00 1.57 4.20 -0.45 0.22 115.11 121.79 2q4g h GLN 55 Ca -0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2q4g h GLN 55 Cb 1.45 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.09 2q4g h GLN 55 CO 0.17 0.43 0.00 0.09 -0.67 0.00 0.00 178.83 178.85 2q4g n ASN 56 N -4.47 0.00 -0.02 1.46 3.02 0.29 -2.82 115.26 112.73 2q4g n ASN 56 Ca 0.08 -1.04 -0.11 0.00 -0.03 0.00 0.00 54.58 53.48 2q4g n ASN 56 Cb 0.18 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2q4g n ASN 56 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2q4g h VAL 57 N 0.00 1.31 0.00 2.41 2.07 -0.99 -3.18 116.25 117.86 2q4g h VAL 57 Ca 0.00 -1.79 0.00 0.00 0.82 0.00 0.00 66.70 65.73 2q4g h VAL 57 Cb 0.00 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2q4g h VAL 57 CO 0.00 0.57 0.25 0.00 0.02 0.00 0.00 177.57 178.41 2q4g n PHE 59 N -1.40 3.15 0.00 0.00 3.72 -1.20 -5.01 117.46 116.71 2q4g n PHE 59 Ca -0.00 -3.23 0.00 0.00 -0.05 0.00 0.00 57.45 54.17 2q4g n PHE 59 Cb 0.25 -0.19 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 -0.37 1.22 -3.00 -1.08 6.02 -0.87 -5.08 117.38 114.23 2q4g n GLN 60 Ca 0.34 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.93 2q4g n GLN 60 Cb 0.64 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.85 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 4.64 4.46 -0.06 -1.09 2.12 -1.21 -4.94 118.70 122.61 2q4g s GLU 61 Ca 0.00 0.98 -0.27 0.00 0.36 0.00 0.00 54.97 56.04 2q4g s GLU 61 Cb 0.00 -3.43 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2q4g s GLU 61 CO 0.00 0.11 0.85 0.21 -0.54 0.00 0.00 175.26 175.89 2q4g s LYS 62 N 0.60 4.45 0.29 4.30 2.20 -1.26 -0.45 119.74 129.88 2q4g s LYS 62 Ca 0.39 1.15 0.02 0.00 -0.36 0.00 0.00 55.97 57.17 2q4g s LYS 62 Cb -0.19 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 2q4g s LYS 62 CO 0.20 -0.08 0.09 0.14 -0.36 0.00 0.00 175.35 175.34 2q4g s VAL 63 N 1.23 0.75 -0.03 4.02 -7.23 0.85 -4.91 120.40 115.07 2q4g s VAL 63 Ca 0.44 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.35 2q4g s VAL 63 Cb -0.19 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.04 2q4g s VAL 63 CO 0.21 0.00 0.78 -0.89 -0.31 0.00 0.00 175.10 174.89 2q4g s THR 64 N -3.58 4.96 0.64 5.32 2.01 -1.26 -3.02 115.64 120.71 2q4g s THR 64 Ca 0.37 1.63 -0.16 0.00 0.31 0.00 0.00 61.69 63.84 2q4g s THR 64 Cb 0.08 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.46 2q4g s THR 64 CO 0.14 0.24 1.12 0.00 -0.69 0.00 0.00 174.62 175.44 2q4g h LYS 66 N 0.21 0.03 -0.71 0.00 2.10 -1.91 0.10 116.57 116.38 2q4g h LYS 66 Ca -0.47 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 2q4g h LYS 66 Cb 1.25 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2q4g h LYS 66 CO 0.54 0.02 0.00 0.27 -2.00 0.00 0.00 179.45 178.28 2q4g n ASN 67 N -4.34 3.69 0.00 7.07 6.94 -1.26 -4.92 115.26 122.44 2q4g n ASN 67 Ca 0.14 -2.49 0.00 0.00 -0.02 0.00 0.00 54.58 52.21 2q4g n ASN 67 Cb 0.77 -0.58 0.00 0.00 -2.36 0.00 0.00 39.78 37.61 2q4g n ASN 67 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2q4g n GLY 68 N 0.48 2.81 3.67 4.83 0.00 0.36 -5.02 105.19 112.32 2q4g n GLY 68 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2q4g n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2q4g n GLN 69 N -0.57 1.17 0.05 1.61 1.13 -1.26 -4.61 117.38 114.90 2q4g n GLN 69 Ca 0.00 0.44 -0.01 0.00 -1.94 0.00 0.00 57.00 55.50 2q4g n GLN 69 Cb 0.00 -2.35 -0.07 0.00 0.11 0.00 0.00 30.24 27.94 2q4g n GLN 69 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2q4g h GLY 70 N 0.79 0.00 -4.12 1.08 0.00 -1.93 0.11 103.07 98.99 2q4g h GLY 70 Ca -0.49 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 46.70 2q4g h GLY 70 CO 0.53 0.00 -0.19 1.16 0.00 0.00 0.00 176.54 178.04 2q4g n ASN 71 N -3.01 4.17 -4.66 0.19 6.94 -1.26 -4.30 115.26 113.33 2q4g n ASN 71 Ca -0.07 -2.27 -0.27 0.00 -0.02 0.00 0.00 54.58 51.95 2q4g n ASN 71 Cb 0.84 -1.11 -0.08 0.00 -2.36 0.00 0.00 39.78 37.07 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 -1.64 0.50 -0.04 0.00 2.02 -0.06 -0.11 117.35 118.03 2q4g s TYR 73 Ca 0.27 -0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 56.75 2q4g s TYR 73 Cb -0.10 -0.44 -0.05 0.00 -0.40 0.00 0.00 41.96 40.97 2q4g s TYR 73 CO 0.18 -0.10 0.33 0.21 -1.57 0.00 0.00 175.55 174.60 2q4g s LYS 74 N 0.51 3.78 0.30 -0.62 2.20 0.41 -1.99 119.74 124.33 2q4g s LYS 74 Ca -0.06 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 2q4g s LYS 74 Cb -0.09 -3.22 -0.10 0.00 -1.51 0.00 0.00 37.83 32.91 2q4g s LYS 74 CO -0.00 0.71 1.29 -1.54 -0.36 0.00 0.00 175.35 175.44 2q4g s SER 75 N -1.02 6.84 0.34 1.43 1.04 0.52 -3.36 113.70 119.49 2q4g s SER 75 Ca 0.21 2.59 0.13 0.00 0.48 0.00 0.00 55.95 59.36 2q4g s SER 75 Cb -0.15 -2.64 0.59 0.00 0.10 0.00 0.00 66.02 63.92 2q4g s SER 75 CO 0.10 -0.50 1.73 0.78 0.98 0.00 0.00 173.24 176.33 2q4g h ASN 76 N 3.90 0.00 -3.88 7.02 2.35 -1.91 -3.44 115.58 119.62 2q4g h ASN 76 Ca -0.48 0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 54.59 2q4g h ASN 76 Cb 1.22 0.00 -0.21 0.00 0.05 0.00 0.00 38.32 39.38 2q4g h ASN 76 CO 0.69 0.46 -0.85 -0.55 -1.65 0.00 0.00 177.43 175.53 2q4g s SER 77 N -6.78 3.45 0.65 5.81 0.15 -1.26 -5.13 113.70 110.59 2q4g s SER 77 Ca -0.02 -0.70 -0.13 0.00 0.70 0.00 0.00 55.95 55.80 2q4g s SER 77 Cb 0.13 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.13 2q4g s SER 77 CO 0.73 0.18 1.06 -0.94 1.20 0.00 0.00 173.24 175.48 2q4g s SER 78 N -2.04 5.49 0.13 5.45 1.04 -1.26 -4.66 113.70 117.85 2q4g s SER 78 Ca 0.15 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.37 2q4g s SER 78 Cb -0.10 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2q4g s SER 78 CO 0.07 -1.36 -0.08 -0.04 0.98 0.00 0.00 173.24 172.81 2q4g s MET 79 N -4.49 0.99 -0.54 4.02 -1.94 0.19 -4.88 119.30 112.65 2q4g s MET 79 Ca 0.62 -1.42 -0.27 0.00 -1.71 0.00 0.00 55.69 52.90 2q4g s MET 79 Cb -0.16 -0.44 0.03 0.00 2.01 0.00 0.00 34.83 36.27 2q4g s MET 79 CO 0.45 0.02 1.09 -1.01 -0.01 0.00 0.00 175.02 175.56 2q4g s HIS 80 N -3.46 2.72 0.32 -0.03 3.76 -1.26 -0.87 115.29 116.48 2q4g s HIS 80 Ca 0.16 0.36 0.04 0.00 -0.15 0.00 0.00 55.06 55.47 2q4g s HIS 80 Cb 0.04 -4.33 -0.06 0.00 1.11 0.00 0.00 32.58 29.33 2q4g s HIS 80 CO -0.01 -1.42 0.05 0.96 -0.85 0.00 0.00 174.74 173.47 2q4g s ILE 81 N 4.49 1.21 -0.03 0.60 -4.36 0.15 -0.47 121.20 122.80 2q4g s ILE 81 Ca 0.40 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.83 2q4g s ILE 81 Cb -0.09 -2.77 -0.01 0.00 1.25 0.00 0.00 42.46 40.84 2q4g s ILE 81 CO 0.25 -0.02 -0.16 -0.89 0.24 0.00 0.00 174.94 174.36 2q4g s THR 82 N -3.28 1.30 -0.23 8.37 2.01 -0.97 0.39 115.64 123.23 2q4g s THR 82 Ca 0.36 -0.68 -0.11 0.00 0.31 0.00 0.00 61.69 61.58 2q4g s THR 82 Cb 0.08 -1.10 -0.05 0.00 0.01 0.00 0.00 72.50 71.44 2q4g s THR 82 CO 0.15 0.37 0.17 -1.81 -0.69 0.00 0.00 174.62 172.81 2q4g s ASP 83 N -0.16 6.15 -0.17 3.53 1.11 -0.85 -2.73 116.67 123.55 2q4g s ASP 83 Ca 0.01 0.15 -0.02 0.00 0.18 0.00 0.00 52.55 52.87 2q4g s ASP 83 Cb -0.09 -2.11 -0.01 0.00 1.07 0.00 0.00 42.92 41.78 2q4g s ASP 83 CO 0.01 0.08 -0.08 0.00 1.18 0.00 0.00 175.17 176.36 2q4g s ARG 85 N 0.78 -0.02 0.37 0.00 3.52 -0.87 -0.81 118.95 121.92 2q4g s ARG 85 Ca -0.03 0.30 -0.28 0.00 -0.13 0.00 0.00 55.73 55.59 2q4g s ARG 85 Cb -0.15 -0.79 -0.11 0.00 -1.56 0.00 0.00 34.95 32.34 2q4g s ARG 85 CO 0.02 -0.41 1.48 -0.11 -0.81 0.00 0.00 175.30 175.46 2q4g n LEU 86 N 5.30 4.68 -4.66 -0.88 7.94 -0.55 -1.18 117.00 127.64 2q4g n LEU 86 Ca -0.04 1.22 -0.30 0.00 -1.11 0.00 0.00 56.01 55.79 2q4g n LEU 86 Cb 0.50 -1.61 0.17 0.00 0.53 0.00 0.00 43.42 43.00 2q4g n LEU 86 CO 0.07 0.11 0.64 0.42 -1.11 0.00 0.00 177.39 177.52 2q4g s THR 87 N -1.08 2.42 -0.03 1.96 -4.23 -0.03 -4.88 115.64 109.77 2q4g s THR 87 Ca 0.54 0.14 -0.26 0.00 -1.18 0.00 0.00 61.69 60.92 2q4g s THR 87 Cb -0.48 -2.45 -0.20 0.00 1.34 0.00 0.00 72.50 70.71 2q4g s THR 87 CO 0.63 -0.18 1.22 0.78 -0.54 0.00 0.00 174.62 176.53 2q4g h ASN 88 N -1.84 -0.02 0.01 3.99 2.35 -1.93 -3.14 115.58 114.99 2q4g h ASN 88 Ca -0.51 -0.50 0.00 0.00 -0.55 0.00 0.00 56.30 54.74 2q4g h ASN 88 Cb 1.29 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.67 2q4g h ASN 88 CO 0.51 0.49 0.00 0.61 -1.65 0.00 0.00 177.43 177.40 2q4g n GLY 89 N 0.30 -0.53 3.72 2.83 0.00 -1.26 -4.79 105.19 105.46 2q4g n GLY 89 Ca -0.09 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.01 6.94 -0.06 1.61 0.15 -1.19 -5.02 113.70 114.12 2q4g s SER 90 Ca 0.25 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2q4g s SER 90 Cb 0.11 -2.59 0.02 0.00 -1.71 0.00 0.00 66.02 61.86 2q4g s SER 90 CO 0.19 -0.54 -0.03 -0.60 1.20 0.00 0.00 173.24 173.46 2q4g s ARG 91 N 0.62 0.81 0.32 5.44 3.52 -1.24 -4.98 118.95 123.44 2q4g s ARG 91 Ca 0.60 -0.05 -0.26 0.00 -0.13 0.00 0.00 55.73 55.89 2q4g s ARG 91 Cb -0.34 -0.94 -0.14 0.00 -1.56 0.00 0.00 34.95 31.97 2q4g s ARG 91 CO 0.33 -0.17 0.80 0.98 -0.81 0.00 0.00 175.30 176.43 2q4g n TYR 92 N 4.48 0.48 1.34 5.12 9.36 -1.26 -1.54 117.16 135.13 2q4g n TYR 92 Ca -0.18 0.71 0.05 0.00 3.32 0.00 0.00 57.90 61.80 2q4g n TYR 92 Cb 0.50 -2.13 0.17 0.00 -0.63 0.00 0.00 39.34 37.26 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 0.67 1.50 -3.01 2.98 -0.04 -1.26 -5.03 135.00 130.82 2q4g n PRO 93 Ca 0.11 -0.78 -0.44 0.00 -0.04 0.00 0.00 63.50 62.35 2q4g n PRO 93 Cb 0.34 -1.21 -0.01 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.12 6.92 -0.74 3.54 0.01 -0.59 -4.97 114.94 117.99 2q4g s ASN 94 Ca 0.18 -2.70 -0.24 0.00 -0.71 0.00 0.00 52.86 49.39 2q4g s ASN 94 Cb 0.09 -2.36 0.06 0.00 0.41 0.00 0.00 41.25 39.45 2q4g s ASN 94 CO 0.13 -0.80 1.15 0.00 -1.51 0.00 0.00 177.10 176.07 2q4g s ALA 96 N 4.74 3.74 0.11 0.00 0.00 -1.26 -4.89 121.76 124.20 2q4g s ALA 96 Ca 0.30 -0.68 0.09 0.00 0.00 0.00 0.00 51.96 51.68 2q4g s ALA 96 Cb -0.11 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 2q4g s ALA 96 CO 0.09 0.29 -0.23 0.71 0.00 0.00 0.00 175.76 176.62 2q4g s TYR 97 N -0.03 1.95 -0.07 0.00 1.51 -1.26 -0.85 117.35 118.61 2q4g s TYR 97 Ca 0.10 -0.41 -0.08 0.00 -1.01 0.00 0.00 57.07 55.68 2q4g s TYR 97 Cb -0.11 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 2q4g s TYR 97 CO -0.00 0.24 0.21 0.50 -1.11 0.00 0.00 175.55 175.39 2q4g s ARG 98 N -1.92 3.54 -0.13 -0.62 3.52 -0.33 -4.62 118.95 118.39 2q4g s ARG 98 Ca 0.09 -0.06 -0.03 0.00 -0.13 0.00 0.00 55.73 55.60 2q4g s ARG 98 Cb -0.10 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.09 2q4g s ARG 98 CO 0.05 0.73 -0.01 0.99 -0.81 0.00 0.00 175.30 176.25 2q4g s THR 99 N -1.12 4.16 -0.41 4.11 2.01 -1.26 -2.04 115.64 121.09 2q4g s THR 99 Ca 0.20 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.00 2q4g s THR 99 Cb -0.13 -2.80 0.25 0.00 0.01 0.00 0.00 72.50 69.83 2q4g s THR 99 CO 0.09 0.53 0.53 -1.20 -0.69 0.00 0.00 174.62 173.88 2q4g n SER 100 N 3.02 0.42 -4.76 3.53 7.64 0.50 -4.93 113.62 119.04 2q4g n SER 100 Ca -0.18 -2.73 -0.39 0.00 1.01 0.00 0.00 58.87 56.58 2q4g n SER 100 Cb 0.53 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 63.11 2q4g n SER 100 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2q4g s PRO 101 N -1.22 3.48 0.11 1.43 0.04 -1.26 -2.00 135.00 135.58 2q4g s PRO 101 Ca 0.35 2.29 -0.26 0.00 0.04 0.00 0.00 61.00 63.43 2q4g s PRO 101 Cb 0.16 -2.49 0.08 0.00 0.04 0.00 0.00 34.50 32.30 2q4g s PRO 101 CO -0.11 -0.94 1.08 -1.59 0.04 0.00 0.00 177.00 175.49 2q4g s LYS 102 N -2.63 1.00 -0.25 4.56 -2.85 0.16 -4.91 119.74 114.81 2q4g s LYS 102 Ca 0.65 -0.59 -0.07 0.00 -1.00 0.00 0.00 55.97 54.96 2q4g s LYS 102 Cb -0.41 0.31 -0.02 0.00 -2.06 0.00 0.00 37.83 35.65 2q4g s LYS 102 CO 0.51 -0.46 0.07 -1.21 0.10 0.00 0.00 175.35 174.36 2q4g s GLU 103 N -2.66 3.60 0.11 1.78 2.02 -1.26 -0.67 118.70 121.62 2q4g s GLU 103 Ca 0.17 -0.52 -0.13 0.00 0.02 0.00 0.00 54.97 54.51 2q4g s GLU 103 Cb -0.00 -3.32 0.02 0.00 0.10 0.00 0.00 34.13 30.93 2q4g s GLU 103 CO 0.02 -0.21 0.32 1.03 0.02 0.00 0.00 175.26 176.44 2q4g s ARG 104 N 1.60 0.98 0.56 1.61 1.81 -0.05 -4.86 118.95 120.61 2q4g s ARG 104 Ca 0.06 -0.80 -0.08 0.00 -1.72 0.00 0.00 55.73 53.19 2q4g s ARG 104 Cb -0.15 0.42 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 2q4g s ARG 104 CO 0.03 -0.36 0.92 -1.01 -0.68 0.00 0.00 175.30 174.20 2q4g s HIS 105 N -3.83 3.56 0.28 -0.53 3.76 0.02 0.53 115.29 119.08 2q4g s HIS 105 Ca 0.04 1.02 0.10 0.00 -0.15 0.00 0.00 55.06 56.06 2q4g s HIS 105 Cb 0.03 -2.55 -0.05 0.00 1.11 0.00 0.00 32.58 31.11 2q4g s HIS 105 CO -0.12 -0.54 -0.14 0.96 -0.85 0.00 0.00 174.74 174.05 2q4g s ILE 106 N -2.98 2.17 -0.02 0.60 -4.36 -1.26 -0.39 121.20 114.96 2q4g s ILE 106 Ca 0.52 -2.28 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 2q4g s ILE 106 Cb -0.11 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.24 2q4g s ILE 106 CO 0.49 -0.37 -0.07 -0.63 0.24 0.00 0.00 174.94 174.60 2q4g s ILE 107 N -2.69 0.62 0.18 8.37 1.01 0.07 -0.36 121.20 128.40 2q4g s ILE 107 Ca 0.29 -0.29 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2q4g s ILE 107 Cb -0.01 -0.55 -0.02 0.00 0.01 0.00 0.00 42.46 41.89 2q4g s ILE 107 CO 0.13 0.19 0.16 1.33 0.00 0.00 0.00 174.94 176.76 2q4g n VAL 108 N 3.21 0.00 -3.16 2.92 0.24 -0.84 0.15 118.33 120.85 2q4g n VAL 108 Ca -0.17 -1.31 -0.24 0.00 -2.04 0.00 0.00 64.34 60.59 2q4g n VAL 108 Cb 0.55 0.66 -0.05 0.00 -1.47 0.00 0.00 33.84 33.53 2q4g n VAL 108 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2q4g n ALA 109 N -1.76 3.36 -1.50 2.33 0.00 -1.10 -0.88 120.51 120.95 2q4g n ALA 109 Ca -0.06 -4.10 -0.49 0.00 0.00 0.00 0.00 53.44 48.79 2q4g n ALA 109 Cb 0.33 -0.84 -0.04 0.00 0.00 0.00 0.00 19.45 18.90 2q4g n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2q4g s GLU 111 N -0.85 0.62 0.00 0.00 2.12 0.31 -4.79 118.70 116.11 2q4g s GLU 111 Ca 0.68 1.00 0.00 0.00 0.36 0.00 0.00 54.97 57.01 2q4g s GLU 111 Cb -0.90 0.16 0.00 0.00 0.26 0.00 0.00 34.13 33.65 2q4g s GLU 111 CO 0.56 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.57 2q4g n GLY 112 N 3.80 0.77 2.70 -1.50 0.00 -1.26 -3.56 105.19 106.14 2q4g n GLY 112 Ca -0.18 -2.22 -0.29 0.00 0.00 0.00 0.00 46.02 43.32 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 -1.18 3.83 0.69 1.61 0.15 -1.26 -1.02 113.70 116.51 2q4g s SER 113 Ca 0.00 -1.49 -0.15 0.00 0.70 0.00 0.00 55.95 55.01 2q4g s SER 113 Cb 0.00 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.59 2q4g s SER 113 CO 0.00 -0.41 1.18 -2.16 1.20 0.00 0.00 173.24 173.05 2q4g s PRO 114 N 1.73 2.42 -0.22 5.44 0.04 -1.26 -5.09 135.00 138.07 2q4g s PRO 114 Ca 0.08 1.66 -0.29 0.00 0.04 0.00 0.00 61.00 62.50 2q4g s PRO 114 Cb -0.17 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2q4g s PRO 114 CO -0.26 -1.59 1.59 -0.47 0.04 0.00 0.00 177.00 176.31 2q4g s TYR 115 N -2.04 2.15 0.18 0.56 6.04 -0.19 -4.88 117.35 119.18 2q4g s TYR 115 Ca 0.73 0.57 -0.05 0.00 0.04 0.00 0.00 57.07 58.35 2q4g s TYR 115 Cb -0.27 -3.97 -0.02 0.00 -1.04 0.00 0.00 41.96 36.66 2q4g s TYR 115 CO 0.43 -2.85 0.22 0.14 -1.54 0.00 0.00 175.55 171.94 2q4g s VAL 116 N 5.09 0.04 0.28 3.14 -7.23 -1.23 -4.80 120.40 115.68 2q4g s VAL 116 Ca 0.70 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.88 2q4g s VAL 116 Cb -0.24 -2.15 -0.10 0.00 0.56 0.00 0.00 36.38 34.44 2q4g s VAL 116 CO 0.29 -0.19 1.32 -2.84 -0.31 0.00 0.00 175.10 173.36 2q4g s PRO 117 N -4.05 4.37 0.00 4.82 0.02 -1.26 0.11 135.00 139.01 2q4g s PRO 117 Ca 0.26 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.45 2q4g s PRO 117 Cb 0.05 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.45 2q4g s PRO 117 CO 0.06 -0.22 0.84 1.33 -0.33 0.00 0.00 177.00 178.68 2q4g n VAL 118 N 1.58 0.00 -3.65 3.83 0.24 -1.26 -4.44 118.33 114.64 2q4g n VAL 118 Ca 0.03 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.30 2q4g n VAL 118 Cb 0.42 0.63 -0.07 0.00 -1.47 0.00 0.00 33.84 33.36 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 0.00 -0.18 -0.31 6.34 5.65 -1.26 -4.75 115.29 120.78 2q4g s HIS 119 Ca 0.00 0.41 -0.10 0.00 0.25 0.00 0.00 55.06 55.62 2q4g s HIS 119 Cb 0.00 0.36 -0.01 0.00 -1.18 0.00 0.00 32.58 31.74 2q4g s HIS 119 CO 0.00 -0.09 0.15 0.12 -0.65 0.00 0.00 174.74 174.28 2q4g s PHE 120 N 0.40 3.18 -0.16 3.88 5.36 -1.26 -2.73 117.98 126.64 2q4g s PHE 120 Ca 0.02 -0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 55.40 2q4g s PHE 120 Cb -0.04 -2.35 -0.23 0.00 -0.34 0.00 0.00 43.02 40.05 2q4g s PHE 120 CO -0.13 -0.42 0.25 -3.47 -1.46 0.00 0.00 175.22 170.00 2q4g n ASP 121 N 4.99 2.04 -3.65 6.13 4.64 0.12 -4.98 116.55 125.84 2q4g n ASP 121 Ca -0.14 0.25 0.01 0.00 -1.38 0.00 0.00 54.79 53.53 2q4g n ASP 121 Cb 0.50 -0.86 -0.00 0.00 -1.04 0.00 0.00 41.12 39.71 2q4g n ASP 121 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2q4g s ALA 122 N -2.50 -2.14 0.03 -1.67 0.00 -1.17 -4.93 121.76 109.39 2q4g s ALA 122 Ca -0.26 0.45 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2q4g s ALA 122 Cb 0.07 0.50 -0.02 0.00 0.00 0.00 0.00 23.12 23.67 2q4g s ALA 122 CO 0.70 -1.07 -0.21 -1.54 0.00 0.00 0.00 175.76 173.64 2q4g s SER 123 N -3.12 2.50 -0.11 0.00 1.04 -1.26 -0.75 113.70 111.99 2q4g s SER 123 Ca 0.16 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.13 2q4g s SER 123 Cb 0.03 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2q4g s SER 123 CO -0.02 0.18 -0.22 -0.69 0.98 0.00 0.00 173.24 173.47 2q4g s VAL 124 N -0.75 1.97 -0.68 5.02 1.01 0.48 -4.93 120.40 122.53 2q4g s VAL 124 Ca 0.08 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.02 2q4g s VAL 124 Cb -0.09 -1.72 0.18 0.00 0.00 0.00 0.00 36.38 34.75 2q4g s VAL 124 CO 0.01 0.54 0.56 -0.70 0.00 0.00 0.00 175.10 175.51 2q4g s GLU 125 N 0.55 2.98 -0.15 2.72 2.12 -1.26 -0.80 118.70 124.86 2q4g s GLU 125 Ca -0.14 -2.35 0.18 0.00 0.36 0.00 0.00 54.97 53.02 2q4g s GLU 125 Cb -0.17 -4.06 0.36 0.00 0.26 0.00 0.00 34.13 30.52 2q4g s GLU 125 CO 0.05 -1.23 1.23 -0.40 -0.54 0.00 0.00 175.26 174.37 2q4g n ASP 126 N 3.97 2.81 0.00 -1.70 3.85 -1.26 -5.09 116.55 119.13 2q4g n ASP 126 Ca 0.07 -3.07 0.00 0.00 -0.71 0.00 0.00 54.79 51.08 2q4g n ASP 126 Cb 0.42 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.72 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65