#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q4g s SER 3 N 0.00 3.16 0.55 4.31 1.04 -1.26 -4.77 113.70 116.73 2q4g s SER 3 Ca 0.00 1.50 0.34 0.00 0.48 0.00 0.00 55.95 58.27 2q4g s SER 3 Cb 0.00 -2.17 1.42 0.00 0.10 0.00 0.00 66.02 65.36 2q4g s SER 3 CO 0.00 -2.84 2.00 0.03 0.98 0.00 0.00 173.24 173.41 2q4g h ARG 4 N -1.69 0.00 -0.20 4.02 2.47 -1.97 0.20 114.38 117.21 2q4g h ARG 4 Ca -0.51 0.00 -0.20 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 29.61 2q4g h ARG 4 CO 0.54 0.00 -0.66 0.00 0.56 0.00 0.00 179.97 180.41 2q4g h ALA 5 N 2.00 0.45 0.08 0.04 0.00 -1.82 0.22 119.26 120.24 2q4g h ALA 5 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 54.10 2q4g h ALA 5 Cb 0.49 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2q4g h ALA 5 CO 0.00 0.69 -1.12 0.87 0.00 0.00 0.00 179.25 179.69 2q4g h LYS 6 N 0.55 0.26 -0.22 0.00 1.79 -1.77 -2.89 116.57 114.28 2q4g h LYS 6 Ca -0.02 -0.38 -0.08 0.00 -2.18 0.00 0.00 60.65 57.99 2q4g h LYS 6 Cb 1.26 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2q4g h LYS 6 CO 0.13 1.14 -0.21 -0.22 -1.08 0.00 0.00 179.45 179.22 2q4g h LYS 7 N 0.10 0.39 -0.60 3.15 3.64 -0.88 -0.85 116.57 121.51 2q4g h LYS 7 Ca -0.10 -0.13 -0.05 0.00 -1.27 0.00 0.00 60.65 59.10 2q4g h LYS 7 Cb 1.82 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.58 2q4g h LYS 7 CO 0.18 0.59 0.19 0.35 -2.27 0.00 0.00 179.45 178.49 2q4g h PHE 8 N 0.35 0.96 -0.27 1.91 3.57 -0.49 -0.51 116.94 122.46 2q4g h PHE 8 Ca 0.06 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.44 2q4g h PHE 8 Cb 0.57 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 2q4g h PHE 8 CO 0.01 0.80 0.09 1.96 -2.23 0.00 0.00 178.31 178.94 2q4g h GLN 9 N 0.85 0.42 -0.91 1.11 4.20 -1.19 -0.93 115.11 118.65 2q4g h GLN 9 Ca 0.19 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 2q4g h GLN 9 Cb 0.28 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.96 2q4g h GLN 9 CO -0.01 0.48 0.55 -0.09 -0.67 0.00 0.00 178.83 179.09 2q4g h ARG 10 N 0.28 1.24 0.00 1.46 2.43 -0.86 -2.52 114.38 116.42 2q4g h ARG 10 Ca 0.09 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 2q4g h ARG 10 Cb 0.23 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 2q4g h ARG 10 CO -0.00 0.87 -1.34 1.04 -1.51 0.00 0.00 179.97 179.03 2q4g n GLN 11 N -4.35 0.62 0.00 0.20 6.02 -0.23 -4.62 117.38 115.01 2q4g n GLN 11 Ca 0.10 0.18 0.00 0.00 -0.01 0.00 0.00 57.00 57.27 2q4g n GLN 11 Cb 0.06 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.53 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 -2.81 0.00 -4.12 1.08 8.25 -0.36 -4.64 115.22 112.63 2q4g n HIS 12 Ca -0.07 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.04 2q4g n HIS 12 Cb 0.76 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.75 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 -0.39 3.67 -0.41 -0.41 -1.94 -0.95 0.59 119.30 119.47 2q4g s MET 13 Ca 0.00 -0.50 0.09 0.00 -1.71 0.00 0.00 55.69 53.57 2q4g s MET 13 Cb 0.00 -3.07 0.31 0.00 2.01 0.00 0.00 34.83 34.07 2q4g s MET 13 CO 0.00 0.08 0.79 -3.47 -0.01 0.00 0.00 175.02 172.41 2q4g n ASP 14 N 4.05 -0.46 -0.01 3.03 2.03 -0.66 -4.86 116.55 119.67 2q4g n ASP 14 Ca -0.17 -3.13 -0.12 0.00 0.52 0.00 0.00 54.79 51.89 2q4g n ASP 14 Cb 0.52 0.23 -0.08 0.00 -0.72 0.00 0.00 41.12 41.07 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 3.34 -1.35 0.06 1.67 0.02 -1.69 -3.00 113.55 112.60 2q4g h SER 15 Ca 0.02 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2q4g h SER 15 Cb 0.99 0.53 0.00 0.00 0.14 0.00 0.00 62.40 64.05 2q4g h SER 15 CO 0.39 -0.37 0.00 0.44 -1.14 0.00 0.00 176.83 176.14 2q4g h ASP 16 N -0.45 0.00 -3.93 3.07 3.32 -1.91 -3.37 116.42 113.16 2q4g h ASP 16 Ca 0.03 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.58 2q4g h ASP 16 Cb 0.53 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.11 2q4g h ASP 16 CO -0.34 0.00 0.46 -0.55 -1.72 0.00 0.00 179.24 177.09 2q4g s SER 17 N -5.06 6.72 0.17 6.45 0.15 -1.13 -4.97 113.70 116.01 2q4g s SER 17 Ca -0.04 2.22 -0.31 0.00 0.70 0.00 0.00 55.95 58.51 2q4g s SER 17 Cb 0.12 -2.61 -0.10 0.00 -1.71 0.00 0.00 66.02 61.73 2q4g s SER 17 CO 0.40 -0.53 1.52 -0.55 1.20 0.00 0.00 173.24 175.28 2q4g s SER 18 N -1.26 6.63 0.24 5.45 0.15 -1.26 -4.85 113.70 118.80 2q4g s SER 18 Ca 0.55 2.58 0.15 0.00 0.70 0.00 0.00 55.95 59.94 2q4g s SER 18 Cb -0.28 -2.60 0.84 0.00 -1.71 0.00 0.00 66.02 62.28 2q4g s SER 18 CO 0.35 -0.78 1.46 -2.65 1.20 0.00 0.00 173.24 172.82 2q4g n PRO 19 N 3.72 0.10 -1.14 5.44 -0.02 -1.26 -3.51 135.00 138.33 2q4g n PRO 19 Ca 0.12 0.59 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 2q4g n PRO 19 Cb 0.39 -1.85 -0.12 0.00 -0.02 0.00 0.00 33.50 31.90 2q4g n PRO 19 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2q4g n SER 20 N -2.04 6.31 -4.67 2.55 7.64 -1.26 -4.67 113.62 117.48 2q4g n SER 20 Ca -0.01 -2.57 -0.43 0.00 1.01 0.00 0.00 58.87 56.86 2q4g n SER 20 Cb 0.05 -1.44 -0.01 0.00 -1.01 0.00 0.00 64.21 61.79 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 2.64 2.44 0.00 6.43 7.64 -1.23 -5.00 113.62 126.54 2q4g n SER 21 Ca 0.53 1.19 0.00 0.00 1.01 0.00 0.00 58.87 61.60 2q4g n SER 21 Cb 0.70 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.47 2q4g n SER 21 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2q4g n SER 22 N 1.17 0.00 0.00 6.43 3.41 -1.26 -4.70 113.62 118.68 2q4g n SER 22 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2q4g n SER 22 Cb 0.34 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2q4g n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2q4g n SER 23 N 0.00 1.16 -0.00 4.04 3.41 -1.26 -4.73 113.62 116.24 2q4g n SER 23 Ca 0.00 -0.34 0.07 0.00 -0.26 0.00 0.00 58.87 58.35 2q4g n SER 23 Cb 0.00 0.90 -0.09 0.00 -0.26 0.00 0.00 64.21 64.76 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 -1.02 0.00 -0.26 6.66 -2.24 -1.26 -4.70 114.28 111.46 2q4g n THR 24 Ca 0.00 -0.15 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2q4g n THR 24 Cb 0.00 0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 69.13 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 0.00 -1.54 -0.55 4.78 3.20 -1.96 -1.90 116.97 119.01 2q4g h TYR 25 Ca 0.00 0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 2q4g h TYR 25 Cb 0.38 0.76 -0.02 0.00 1.54 0.00 0.00 36.73 39.39 2q4g h TYR 25 CO 0.00 -0.43 0.02 0.00 -1.64 0.00 0.00 178.16 176.11 2q4g h ASN 27 N 0.86 1.08 0.49 0.00 2.35 -1.63 -0.84 115.58 117.90 2q4g h ASN 27 Ca 0.16 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 2q4g h ASN 27 Cb 0.48 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 38.58 2q4g h ASN 27 CO 0.02 0.81 -0.24 -0.61 -1.65 0.00 0.00 177.43 175.76 2q4g h GLN 28 N 1.26 -0.64 -0.76 0.81 4.15 -1.11 -3.23 115.11 115.60 2q4g h GLN 28 Ca 0.33 0.04 0.03 0.00 0.77 0.00 0.00 58.65 59.83 2q4g h GLN 28 Cb -0.10 0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 2q4g h GLN 28 CO -0.07 -0.42 0.49 0.52 -1.93 0.00 0.00 178.83 177.42 2q4g h MET 29 N -1.17 0.92 -0.37 1.69 2.86 -0.85 -0.16 114.93 117.84 2q4g h MET 29 Ca -0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.49 2q4g h MET 29 Cb 0.52 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 2q4g h MET 29 CO 0.11 0.61 0.12 0.52 1.06 0.00 0.00 176.91 179.33 2q4g h MET 30 N 0.95 0.54 0.03 1.72 2.86 -1.29 -1.23 114.93 118.50 2q4g h MET 30 Ca 0.30 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.74 2q4g h MET 30 Cb 0.00 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 31.58 2q4g h MET 30 CO -0.11 0.48 -0.52 0.00 1.06 0.00 0.00 176.91 177.82 2q4g h ARG 31 N 0.53 0.30 -0.70 1.72 3.08 -1.45 0.43 114.38 118.29 2q4g h ARG 31 Ca 0.13 -0.36 0.01 0.00 0.07 0.00 0.00 59.98 59.83 2q4g h ARG 31 Cb 0.17 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 2q4g h ARG 31 CO -0.01 1.08 0.46 0.00 -1.07 0.00 0.00 179.97 180.43 2q4g h ARG 32 N -0.32 0.89 -0.59 0.04 3.08 -0.88 -2.36 114.38 114.24 2q4g h ARG 32 Ca -0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2q4g h ARG 32 Cb 1.28 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2q4g h ARG 32 CO 0.10 0.59 0.00 0.54 -1.07 0.00 0.00 179.97 180.13 2q4g n ARG 33 N -4.44 2.52 -3.19 0.04 5.12 -0.48 -4.93 116.66 111.31 2q4g n ARG 33 Ca 0.08 -1.55 -0.20 0.00 -1.93 0.00 0.00 57.85 54.25 2q4g n ARG 33 Cb 0.06 -1.62 0.05 0.00 -1.16 0.00 0.00 32.46 29.79 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 0.49 -5.66 -1.84 0.55 3.02 -0.89 -4.80 115.26 106.13 2q4g n ASN 34 Ca 0.14 -0.36 -0.21 0.00 -0.03 0.00 0.00 54.58 54.12 2q4g n ASN 34 Cb 0.55 -4.37 0.10 0.00 -0.61 0.00 0.00 39.78 35.45 2q4g n ASN 34 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 2q4g n MET 35 N -3.99 2.75 -0.85 3.52 2.81 0.14 -4.46 117.12 117.04 2q4g n MET 35 Ca -0.04 -3.59 0.00 0.00 -1.81 0.00 0.00 57.70 52.27 2q4g n MET 35 Cb 0.58 -2.13 -0.00 0.00 -0.71 0.00 0.00 33.22 30.96 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 -0.92 0.00 -4.17 2.03 -2.24 -1.24 -3.46 114.28 104.29 2q4g n THR 36 Ca 0.46 -0.29 -0.31 0.00 -2.27 0.00 0.00 64.05 61.64 2q4g n THR 36 Cb 0.93 0.57 -0.08 0.00 -2.10 0.00 0.00 70.33 69.65 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 2.60 0.00 -0.78 -0.21 -1.26 -4.70 119.66 115.30 2q4g s GLN 37 Ca 0.10 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 54.69 2q4g s GLN 37 Cb 0.11 -2.57 0.00 0.00 1.00 0.00 0.00 33.01 31.56 2q4g s GLN 37 CO -0.05 0.56 0.00 0.41 -2.12 0.00 0.00 175.29 174.09 2q4g n GLY 38 N 0.74 0.91 3.14 3.09 0.00 -1.26 -4.66 105.19 107.15 2q4g n GLY 38 Ca -0.11 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.49 1.61 1.81 -1.26 -5.02 118.95 116.35 2q4g s ARG 39 Ca 0.00 -1.30 -0.25 0.00 -1.72 0.00 0.00 55.73 52.47 2q4g s ARG 39 Cb 0.00 -0.02 0.03 0.00 -0.45 0.00 0.00 34.95 34.51 2q4g s ARG 39 CO 0.00 -0.07 0.91 0.00 -0.68 0.00 0.00 175.30 175.47 2q4g n LYS 41 N 7.22 2.45 -0.00 0.00 4.81 -1.23 -4.85 118.16 126.56 2q4g n LYS 41 Ca 0.04 0.90 0.04 0.00 -0.87 0.00 0.00 58.31 58.41 2q4g n LYS 41 Cb 0.48 -2.76 0.42 0.00 0.02 0.00 0.00 35.03 33.19 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 8.94 0.55 -2.68 1.64 0.13 -1.94 -3.42 132.00 135.21 2q4g h PRO 42 Ca -0.48 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.51 2q4g h PRO 42 Cb 1.25 -0.12 -0.21 0.00 0.13 0.00 0.00 31.00 32.05 2q4g h PRO 42 CO 0.94 0.37 -0.15 0.54 -0.23 0.00 0.00 178.00 179.47 2q4g s VAL 43 N -5.50 0.03 -0.02 1.56 0.11 -1.26 -0.18 120.40 115.14 2q4g s VAL 43 Ca -0.08 -0.22 -0.22 0.00 -2.93 0.00 0.00 61.98 58.53 2q4g s VAL 43 Cb 0.17 -0.70 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 2q4g s VAL 43 CO 0.73 -0.12 0.48 0.21 -3.33 0.00 0.00 175.10 173.08 2q4g s ASN 44 N -0.77 -0.41 -0.08 3.54 2.47 0.13 -4.99 114.94 114.83 2q4g s ASN 44 Ca -0.08 0.33 0.03 0.00 0.42 0.00 0.00 52.86 53.56 2q4g s ASN 44 Cb -0.03 0.43 0.01 0.00 -1.45 0.00 0.00 41.25 40.20 2q4g s ASN 44 CO 0.04 -0.56 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.79 2q4g s THR 45 N -1.49 1.61 -0.09 -5.21 2.01 -1.26 0.10 115.64 111.31 2q4g s THR 45 Ca -0.11 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 2q4g s THR 45 Cb -0.02 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2q4g s THR 45 CO 0.05 0.46 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.07 2q4g s PHE 46 N 0.47 3.12 -0.21 4.92 0.08 -0.49 -4.29 117.98 121.59 2q4g s PHE 46 Ca -0.16 0.15 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 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 0.06 0.43 0.07 0.08 -0.10 0.00 0.00 175.22 175.76 2q4g s VAL 47 N -0.81 4.65 -0.96 -0.44 1.01 0.20 -0.98 120.40 123.07 2q4g s VAL 47 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2q4g s VAL 47 Cb -0.11 -3.13 0.32 0.00 0.00 0.00 0.00 36.38 33.46 2q4g s VAL 47 CO 0.02 0.40 1.68 1.41 0.00 0.00 0.00 175.10 178.62 2q4g n HIS 48 N 4.11 2.97 -4.19 5.22 -0.00 0.10 -1.65 115.22 121.78 2q4g n HIS 48 Ca -0.16 -2.79 -0.13 0.00 -0.00 0.00 0.00 57.72 54.64 2q4g n HIS 48 Cb 0.52 -1.09 -0.10 0.00 -0.00 0.00 0.00 29.99 29.32 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 -4.18 0.90 0.93 -0.41 0.41 -1.26 -4.62 118.70 110.48 2q4g s GLU 49 Ca 0.40 -1.30 -0.11 0.00 -0.41 0.00 0.00 54.97 53.55 2q4g s GLU 49 Cb 0.20 -0.44 0.10 0.00 -1.78 0.00 0.00 34.13 32.21 2q4g s GLU 49 CO -0.13 0.04 0.84 -2.30 -0.49 0.00 0.00 175.26 173.23 2q4g n PRO 50 N 0.14 -0.41 -0.10 0.39 -0.02 -1.26 -4.01 135.00 129.73 2q4g n PRO 50 Ca -0.13 -0.06 -0.10 0.00 -2.02 0.00 0.00 63.50 61.18 2q4g n PRO 50 Cb 0.60 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 2q4g n PRO 50 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2q4g h LEU 51 N -1.77 0.46 -1.89 2.45 5.85 -1.97 -2.90 115.31 115.55 2q4g h LEU 51 Ca -0.43 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.06 2q4g h LEU 51 Cb 1.28 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2q4g h LEU 51 CO 0.38 0.57 0.00 1.62 -0.34 0.00 0.00 178.44 180.68 2q4g h VAL 52 N 0.33 0.00 -0.08 1.05 3.04 -1.97 0.03 116.25 118.64 2q4g h VAL 52 Ca 0.10 -0.21 -0.02 0.00 -1.01 0.00 0.00 66.70 65.55 2q4g h VAL 52 Cb 0.29 1.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.67 2q4g h VAL 52 CO 0.00 0.00 -0.02 0.44 -1.01 0.00 0.00 177.57 176.98 2q4g h ASP 53 N 0.00 0.17 -0.11 3.17 5.19 -1.86 0.11 116.42 123.09 2q4g h ASP 53 Ca 0.00 -0.38 -0.18 0.00 -0.62 0.00 0.00 57.03 55.86 2q4g h ASP 53 Cb 0.23 -0.05 -0.00 0.00 0.18 0.00 0.00 39.33 39.70 2q4g h ASP 53 CO 0.00 0.50 -0.57 0.58 -3.12 0.00 0.00 179.24 176.63 2q4g h VAL 54 N -0.17 1.30 -0.81 -1.35 2.07 -1.46 -2.98 116.25 112.85 2q4g h VAL 54 Ca 0.02 -1.80 0.10 0.00 0.82 0.00 0.00 66.70 65.85 2q4g h VAL 54 Cb 0.43 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 2q4g h VAL 54 CO 0.01 0.57 0.53 1.56 0.02 0.00 0.00 177.57 180.26 2q4g h GLN 55 N 0.53 0.70 0.00 1.57 4.20 -0.82 -1.78 115.11 119.51 2q4g h GLN 55 Ca 0.00 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.63 2q4g h GLN 55 Cb 1.15 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2q4g h GLN 55 CO 0.12 0.46 -0.18 -0.91 -0.67 0.00 0.00 178.83 177.65 2q4g h ASN 56 N 0.72 0.00 -0.51 1.46 2.35 -0.62 -3.05 115.58 115.92 2q4g h ASN 56 Ca 0.38 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 56.28 2q4g h ASN 56 Cb 0.49 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.84 2q4g h ASN 56 CO -0.15 0.18 0.45 0.58 -1.65 0.00 0.00 177.43 176.84 2q4g h VAL 57 N 0.00 0.51 0.00 2.81 2.07 -1.31 0.47 116.25 120.80 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 0.84 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2q4g h VAL 57 CO 0.02 0.00 0.06 0.00 0.02 0.00 0.00 177.57 177.68 2q4g n PHE 59 N -2.47 2.13 -2.24 0.00 3.72 0.16 -5.00 117.46 113.77 2q4g n PHE 59 Ca -0.02 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.28 2q4g n PHE 59 Cb 0.10 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.21 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 -0.84 3.34 -1.68 -1.08 6.02 -0.19 -5.08 117.38 117.87 2q4g n GLN 60 Ca 0.40 0.00 -0.45 0.00 -0.01 0.00 0.00 57.00 56.94 2q4g n GLN 60 Cb 0.90 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 32.12 2q4g n GLN 60 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2q4g n GLU 61 N 0.00 2.26 -3.16 -1.09 2.13 -1.25 -4.86 120.64 114.68 2q4g n GLU 61 Ca 0.00 0.81 -0.39 0.00 0.66 0.00 0.00 57.16 58.24 2q4g n GLU 61 Cb 0.00 -2.59 -0.06 0.00 0.27 0.00 0.00 31.44 29.06 2q4g n GLU 61 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2q4g s LYS 62 N 0.87 4.32 0.18 5.31 2.20 -1.26 -1.89 119.74 129.48 2q4g s LYS 62 Ca 0.77 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 57.03 2q4g s LYS 62 Cb -0.65 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2q4g s LYS 62 CO 0.38 -0.02 0.06 0.14 -0.36 0.00 0.00 175.35 175.55 2q4g s VAL 63 N 1.15 0.35 0.07 4.02 -7.23 -0.74 -4.97 120.40 113.05 2q4g s VAL 63 Ca 0.31 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.21 2q4g s VAL 63 Cb -0.16 -2.27 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 2q4g s VAL 63 CO 0.13 -0.29 1.11 -0.89 -0.31 0.00 0.00 175.10 174.84 2q4g s THR 64 N -3.89 4.26 0.57 5.32 2.01 -1.26 -3.37 115.64 119.28 2q4g s THR 64 Ca 0.29 1.69 -0.18 0.00 0.31 0.00 0.00 61.69 63.80 2q4g s THR 64 Cb 0.07 -4.08 -0.05 0.00 0.01 0.00 0.00 72.50 68.46 2q4g s THR 64 CO 0.07 0.17 1.09 0.00 -0.69 0.00 0.00 174.62 175.25 2q4g h LYS 66 N 0.83 -0.04 0.00 0.00 3.64 -1.90 0.12 116.57 119.22 2q4g h LYS 66 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2q4g h LYS 66 Cb 1.24 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2q4g h LYS 66 CO 0.57 -0.03 0.00 0.27 -2.27 0.00 0.00 179.45 177.99 2q4g n ASN 67 N -5.49 0.00 0.00 4.20 0.23 -1.26 -4.87 115.26 108.07 2q4g n ASN 67 Ca 0.10 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.77 2q4g n ASN 67 Cb 0.40 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.93 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 0.79 1.17 3.87 4.83 0.00 0.41 -5.11 105.19 111.15 2q4g n GLY 68 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.58 3.63 -0.18 1.61 -1.52 -1.25 -4.81 119.66 116.56 2q4g s GLN 69 Ca 0.00 0.71 0.16 0.00 -1.95 0.00 0.00 55.36 54.28 2q4g s GLN 69 Cb 0.00 -2.12 0.66 0.00 -0.22 0.00 0.00 33.01 31.33 2q4g s GLN 69 CO 0.00 -0.50 1.58 0.41 -0.25 0.00 0.00 175.29 176.53 2q4g n GLY 70 N -2.57 3.38 2.65 3.09 0.00 -1.26 -0.67 105.19 109.81 2q4g n GLY 70 Ca 0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 0.23 3.39 -4.58 1.61 6.94 -1.26 -4.82 115.26 116.77 2q4g n ASN 71 Ca 0.24 -3.45 -0.24 0.00 -0.02 0.00 0.00 54.58 51.11 2q4g n ASN 71 Cb 0.99 -0.55 -0.09 0.00 -2.36 0.00 0.00 39.78 37.77 2q4g n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2q4g s TYR 73 N -2.16 -0.12 -0.07 0.00 2.02 0.21 -1.79 117.35 115.43 2q4g s TYR 73 Ca 0.29 0.37 -0.14 0.00 -0.37 0.00 0.00 57.07 57.22 2q4g s TYR 73 Cb -0.07 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.36 2q4g s TYR 73 CO 0.17 -0.13 0.37 0.21 -1.57 0.00 0.00 175.55 174.60 2q4g s LYS 74 N 0.89 4.04 0.12 -0.62 2.20 -0.79 -1.36 119.74 124.21 2q4g s LYS 74 Ca -0.07 0.29 -0.31 0.00 -0.36 0.00 0.00 55.97 55.52 2q4g s LYS 74 Cb -0.09 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.82 2q4g s LYS 74 CO -0.04 0.48 1.69 -1.54 -0.36 0.00 0.00 175.35 175.58 2q4g s SER 75 N -0.36 6.53 0.29 1.43 1.04 0.10 -3.74 113.70 119.00 2q4g s SER 75 Ca 0.21 2.62 0.02 0.00 0.48 0.00 0.00 55.95 59.28 2q4g s SER 75 Cb -0.15 -2.57 0.70 0.00 0.10 0.00 0.00 66.02 64.10 2q4g s SER 75 CO 0.09 -0.91 1.64 0.78 0.98 0.00 0.00 173.24 175.83 2q4g h ASN 76 N 7.94 -0.03 -1.70 7.02 2.35 -1.94 -3.42 115.58 125.80 2q4g h ASN 76 Ca -0.44 0.20 -0.57 0.00 -0.55 0.00 0.00 56.30 54.94 2q4g h ASN 76 Cb 1.21 0.28 -0.09 0.00 0.05 0.00 0.00 38.32 39.76 2q4g h ASN 76 CO 0.93 -0.17 -0.54 -0.55 -1.65 0.00 0.00 177.43 175.46 2q4g s SER 77 N -5.08 4.35 0.45 5.81 0.15 -1.26 -5.12 113.70 112.99 2q4g s SER 77 Ca -0.12 -1.05 -0.20 0.00 0.70 0.00 0.00 55.95 55.27 2q4g s SER 77 Cb 0.26 -0.51 -0.10 0.00 -1.71 0.00 0.00 66.02 63.96 2q4g s SER 77 CO 0.77 -0.44 0.97 -0.94 1.20 0.00 0.00 173.24 174.79 2q4g s SER 78 N -3.84 6.80 0.24 5.45 1.04 -1.26 -4.61 113.70 117.52 2q4g s SER 78 Ca 0.39 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.60 2q4g s SER 78 Cb 0.03 -2.54 -0.05 0.00 0.10 0.00 0.00 66.02 63.56 2q4g s SER 78 CO 0.21 -0.46 -0.14 -0.04 0.98 0.00 0.00 173.24 173.80 2q4g s MET 79 N -3.35 1.46 -0.36 4.02 -1.94 0.33 -4.85 119.30 114.63 2q4g s MET 79 Ca 0.62 -1.68 -0.28 0.00 -1.71 0.00 0.00 55.69 52.64 2q4g s MET 79 Cb -0.10 -1.28 0.02 0.00 2.01 0.00 0.00 34.83 35.48 2q4g s MET 79 CO 0.17 0.18 1.05 -1.01 -0.01 0.00 0.00 175.02 175.41 2q4g s HIS 80 N -2.88 3.08 0.32 -0.03 3.76 -1.26 -0.83 115.29 117.45 2q4g s HIS 80 Ca 0.26 1.03 0.03 0.00 -0.15 0.00 0.00 55.06 56.22 2q4g s HIS 80 Cb -0.01 -3.81 -0.05 0.00 1.11 0.00 0.00 32.58 29.83 2q4g s HIS 80 CO 0.10 -0.86 0.11 0.96 -0.85 0.00 0.00 174.74 174.19 2q4g s ILE 81 N 3.75 0.68 -0.05 0.60 -4.36 0.90 0.03 121.20 122.75 2q4g s ILE 81 Ca 0.44 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 2q4g s ILE 81 Cb -0.11 -2.59 0.03 0.00 1.25 0.00 0.00 42.46 41.03 2q4g s ILE 81 CO 0.19 0.00 0.01 -0.89 0.24 0.00 0.00 174.94 174.49 2q4g s THR 82 N -3.49 0.23 -0.24 8.37 2.01 -0.15 -0.34 115.64 122.02 2q4g s THR 82 Ca 0.34 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.31 2q4g s THR 82 Cb 0.06 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2q4g s THR 82 CO 0.15 0.20 0.47 -1.81 -0.69 0.00 0.00 174.62 172.94 2q4g s ASP 83 N 1.54 6.43 -0.21 3.53 1.01 0.13 -1.39 116.67 127.70 2q4g s ASP 83 Ca -0.02 0.51 -0.08 0.00 0.71 0.00 0.00 52.55 53.67 2q4g s ASP 83 Cb -0.13 -2.26 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 2q4g s ASP 83 CO -0.03 -0.21 0.09 0.00 0.21 0.00 0.00 175.17 175.24 2q4g s ARG 85 N 0.81 0.21 0.26 0.00 3.52 -0.85 0.22 118.95 123.12 2q4g s ARG 85 Ca 0.05 0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.50 2q4g s ARG 85 Cb -0.13 -0.51 -0.11 0.00 -1.56 0.00 0.00 34.95 32.63 2q4g s ARG 85 CO 0.02 -0.20 1.60 -1.17 -0.81 0.00 0.00 175.30 174.74 2q4g s LEU 86 N 1.38 4.35 0.79 -0.88 2.96 0.75 -1.57 118.68 126.46 2q4g s LEU 86 Ca -0.05 2.88 -0.11 0.00 -0.22 0.00 0.00 54.13 56.64 2q4g s LEU 86 Cb -0.13 -3.62 0.07 0.00 0.50 0.00 0.00 46.19 43.00 2q4g s LEU 86 CO -0.03 -0.90 1.09 0.42 -1.32 0.00 0.00 176.35 175.61 2q4g s THR 87 N 0.30 3.26 -2.00 3.68 -4.23 -0.79 -4.91 115.64 110.94 2q4g s THR 87 Ca 0.65 0.41 0.17 0.00 -1.18 0.00 0.00 61.69 61.75 2q4g s THR 87 Cb -0.47 -3.01 0.49 0.00 1.34 0.00 0.00 72.50 70.85 2q4g s THR 87 CO 0.43 -0.53 1.56 0.59 -0.54 0.00 0.00 174.62 176.13 2q4g n ASN 88 N -3.51 0.00 -0.00 3.99 3.02 -1.26 -2.96 115.26 114.54 2q4g n ASN 88 Ca 0.08 -1.16 0.06 0.00 -0.03 0.00 0.00 54.58 53.53 2q4g n ASN 88 Cb 0.54 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.62 2q4g n ASN 88 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2q4g n GLY 89 N 0.57 -0.46 3.69 7.41 0.00 -1.26 -5.03 105.19 110.11 2q4g n GLY 89 Ca 0.13 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.71 2.72 -3.64 1.61 7.64 -1.15 -5.02 113.62 114.06 2q4g n SER 90 Ca -0.01 1.19 -0.15 0.00 1.01 0.00 0.00 58.87 60.92 2q4g n SER 90 Cb 0.29 -1.46 -0.14 0.00 -1.01 0.00 0.00 64.21 61.89 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 -1.47 0.13 0.31 1.43 3.52 -1.26 -5.01 118.95 116.61 2q4g s ARG 91 Ca 0.59 0.64 -0.26 0.00 -0.13 0.00 0.00 55.73 56.57 2q4g s ARG 91 Cb -0.59 -0.24 -0.15 0.00 -1.56 0.00 0.00 34.95 32.41 2q4g s ARG 91 CO 0.59 -0.34 0.63 0.98 -0.81 0.00 0.00 175.30 176.35 2q4g n TYR 92 N 5.34 -0.11 1.37 5.12 9.36 -1.26 -1.88 117.16 135.10 2q4g n TYR 92 Ca -0.06 0.76 0.09 0.00 3.32 0.00 0.00 57.90 62.01 2q4g n TYR 92 Cb 0.50 -2.04 0.35 0.00 -0.63 0.00 0.00 39.34 37.52 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 0.83 1.55 -1.89 2.98 -0.04 -1.26 -4.98 135.00 132.19 2q4g n PRO 93 Ca 0.13 -0.84 -0.41 0.00 -0.04 0.00 0.00 63.50 62.34 2q4g n PRO 93 Cb 0.33 -1.33 -0.01 0.00 -0.04 0.00 0.00 33.50 32.45 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 0.09 7.03 -4.57 3.54 3.02 -0.79 -4.93 115.26 118.66 2q4g n ASN 94 Ca 0.14 -2.97 -0.39 0.00 -0.03 0.00 0.00 54.58 51.33 2q4g n ASN 94 Cb 0.25 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 37.92 2q4g n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2q4g s ALA 96 N 9.95 3.51 -0.09 0.00 0.00 -1.26 -4.92 121.76 128.95 2q4g s ALA 96 Ca 0.88 -1.14 -0.02 0.00 0.00 0.00 0.00 51.96 51.68 2q4g s ALA 96 Cb -0.19 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 2q4g s ALA 96 CO 0.27 -1.00 0.01 0.71 0.00 0.00 0.00 175.76 175.75 2q4g s TYR 97 N 2.04 3.19 -0.15 0.00 1.51 -1.26 -1.89 117.35 120.78 2q4g s TYR 97 Ca 0.12 0.21 -0.12 0.00 -1.01 0.00 0.00 57.07 56.28 2q4g s TYR 97 Cb -0.16 -1.80 -0.05 0.00 -0.11 0.00 0.00 41.96 39.84 2q4g s TYR 97 CO 0.11 0.49 0.24 0.50 -1.11 0.00 0.00 175.55 175.78 2q4g s ARG 98 N -0.90 4.09 -0.18 -0.62 3.52 -0.61 -4.53 118.95 119.73 2q4g s ARG 98 Ca 0.13 0.01 -0.12 0.00 -0.13 0.00 0.00 55.73 55.62 2q4g s ARG 98 Cb -0.11 -3.37 -0.05 0.00 -1.56 0.00 0.00 34.95 29.86 2q4g s ARG 98 CO 0.02 0.37 0.23 0.99 -0.81 0.00 0.00 175.30 176.10 2q4g s THR 99 N 0.10 5.35 -0.53 4.11 2.01 -1.26 -2.00 115.64 123.41 2q4g s THR 99 Ca 0.15 0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.58 2q4g s THR 99 Cb -0.13 -3.57 0.16 0.00 0.01 0.00 0.00 72.50 68.98 2q4g s THR 99 CO 0.03 0.40 0.36 -0.44 -0.69 0.00 0.00 174.62 174.28 2q4g s SER 100 N 0.49 3.45 0.40 3.53 0.01 0.74 -4.95 113.70 117.37 2q4g s SER 100 Ca 0.13 -3.21 -0.24 0.00 1.31 0.00 0.00 55.95 53.94 2q4g s SER 100 Cb -0.12 -1.09 -0.09 0.00 0.21 0.00 0.00 66.02 64.92 2q4g s SER 100 CO 0.02 -0.17 1.05 -2.16 0.41 0.00 0.00 173.24 172.39 2q4g s PRO 101 N -0.40 4.17 0.03 12.44 0.04 -1.26 0.20 135.00 150.21 2q4g s PRO 101 Ca 0.25 1.52 -0.29 0.00 0.04 0.00 0.00 61.00 62.52 2q4g s PRO 101 Cb -0.09 -2.56 0.11 0.00 0.04 0.00 0.00 34.50 32.00 2q4g s PRO 101 CO -0.12 -0.14 1.21 -1.59 0.04 0.00 0.00 177.00 176.40 2q4g s LYS 102 N -2.47 0.59 -0.16 4.56 -2.85 0.54 -4.92 119.74 115.02 2q4g s LYS 102 Ca 0.58 -0.33 -0.02 0.00 -1.00 0.00 0.00 55.97 55.19 2q4g s LYS 102 Cb -0.22 0.20 -0.02 0.00 -2.06 0.00 0.00 37.83 35.73 2q4g s LYS 102 CO 0.28 -0.27 -0.08 -1.21 0.10 0.00 0.00 175.35 174.17 2q4g s GLU 103 N -2.61 3.48 0.21 1.78 2.02 -1.26 -0.07 118.70 122.24 2q4g s GLU 103 Ca 0.14 -0.61 -0.15 0.00 0.02 0.00 0.00 54.97 54.37 2q4g s GLU 103 Cb 0.03 -2.83 0.01 0.00 0.10 0.00 0.00 34.13 31.44 2q4g s GLU 103 CO -0.02 0.11 0.48 1.03 0.02 0.00 0.00 175.26 176.87 2q4g s ARG 104 N 0.67 1.41 0.41 1.61 1.81 -0.01 -4.87 118.95 119.98 2q4g s ARG 104 Ca -0.04 -1.03 -0.17 0.00 -1.72 0.00 0.00 55.73 52.77 2q4g s ARG 104 Cb -0.15 0.49 -0.09 0.00 -0.45 0.00 0.00 34.95 34.75 2q4g s ARG 104 CO 0.02 -0.58 0.87 -1.01 -0.68 0.00 0.00 175.30 173.92 2q4g s HIS 105 N -3.93 3.38 0.15 -0.53 3.76 0.14 0.12 115.29 118.38 2q4g s HIS 105 Ca 0.14 1.38 0.08 0.00 -0.15 0.00 0.00 55.06 56.52 2q4g s HIS 105 Cb -0.00 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.96 2q4g s HIS 105 CO 0.01 -0.11 -0.19 0.96 -0.85 0.00 0.00 174.74 174.57 2q4g s ILE 106 N -2.25 1.77 -0.09 0.60 -4.36 -1.26 0.31 121.20 115.92 2q4g s ILE 106 Ca 0.57 -1.81 0.02 0.00 -0.26 0.00 0.00 60.65 59.18 2q4g s ILE 106 Cb -0.10 -1.75 0.01 0.00 1.25 0.00 0.00 42.46 41.87 2q4g s ILE 106 CO 0.21 -0.25 -0.15 -0.63 0.24 0.00 0.00 174.94 174.36 2q4g s ILE 107 N -1.81 1.44 0.00 8.37 1.01 -0.25 0.03 121.20 129.99 2q4g s ILE 107 Ca 0.13 -0.63 0.03 0.00 0.00 0.00 0.00 60.65 60.18 2q4g s ILE 107 Cb -0.07 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2q4g s ILE 107 CO 0.06 0.43 -0.10 0.68 0.00 0.00 0.00 174.94 176.00 2q4g s VAL 108 N 0.80 0.80 0.11 2.92 -7.23 -0.46 -1.51 120.40 115.82 2q4g s VAL 108 Ca -0.11 -0.54 -0.20 0.00 -1.81 0.00 0.00 61.98 59.32 2q4g s VAL 108 Cb -0.16 -0.69 -0.07 0.00 0.56 0.00 0.00 36.38 36.02 2q4g s VAL 108 CO 0.02 0.14 0.61 0.00 -0.31 0.00 0.00 175.10 175.56 2q4g s ALA 109 N -0.40 3.55 0.13 1.32 0.00 -0.15 -0.62 121.76 125.60 2q4g s ALA 109 Ca 0.02 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.16 2q4g s ALA 109 Cb -0.05 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 2q4g s ALA 109 CO -0.00 0.38 -0.23 0.00 0.00 0.00 0.00 175.76 175.92 2q4g s GLU 111 N -2.21 0.74 0.11 0.00 2.12 -1.22 -4.91 118.70 113.34 2q4g s GLU 111 Ca 0.12 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.50 2q4g s GLU 111 Cb -0.09 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.57 2q4g s GLU 111 CO 0.06 -0.12 0.00 0.41 -0.54 0.00 0.00 175.26 175.07 2q4g n GLY 112 N 3.42 -3.04 2.85 -1.50 0.00 -1.26 -4.41 105.19 101.25 2q4g n GLY 112 Ca -0.17 -1.93 -0.28 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.87 2.75 0.72 1.61 0.15 -1.26 -1.73 113.70 114.07 2q4g s SER 113 Ca 0.00 -0.65 -0.16 0.00 0.70 0.00 0.00 55.95 55.85 2q4g s SER 113 Cb 0.00 -0.82 0.02 0.00 -1.71 0.00 0.00 66.02 63.52 2q4g s SER 113 CO 0.00 -0.21 1.14 -0.81 1.20 0.00 0.00 173.24 174.56 2q4g n PRO 114 N 4.93 0.60 -1.48 5.44 -0.04 -1.26 -5.05 135.00 138.14 2q4g n PRO 114 Ca -0.11 0.27 -0.35 0.00 -0.04 0.00 0.00 63.50 63.27 2q4g n PRO 114 Cb 0.48 -2.38 -0.04 0.00 -0.04 0.00 0.00 33.50 31.51 2q4g n PRO 114 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 2q4g n TYR 115 N -2.55 2.07 -2.29 0.54 -0.00 -0.70 -4.86 117.16 109.37 2q4g n TYR 115 Ca 0.14 -2.71 -0.25 0.00 -0.00 0.00 0.00 57.90 55.08 2q4g n TYR 115 Cb 0.49 -2.09 0.08 0.00 -0.00 0.00 0.00 39.34 37.82 2q4g n TYR 115 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.86 177.00 2q4g s VAL 116 N 0.70 2.27 0.15 2.97 -7.23 -1.26 -4.65 120.40 113.34 2q4g s VAL 116 Ca 0.64 -0.34 -0.31 0.00 -1.81 0.00 0.00 61.98 60.15 2q4g s VAL 116 Cb 0.22 -2.93 -0.10 0.00 0.56 0.00 0.00 36.38 34.13 2q4g s VAL 116 CO -0.07 0.00 1.59 -2.84 -0.31 0.00 0.00 175.10 173.46 2q4g s PRO 117 N -5.24 4.21 0.00 4.82 0.02 -1.26 -3.37 135.00 134.18 2q4g s PRO 117 Ca 0.62 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.01 2q4g s PRO 117 Cb -0.09 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.20 2q4g s PRO 117 CO 0.45 -0.63 0.00 1.33 -0.33 0.00 0.00 177.00 177.81 2q4g n VAL 118 N 4.10 0.00 -3.60 3.83 0.24 -0.56 -4.63 118.33 117.71 2q4g n VAL 118 Ca 0.14 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 62.04 2q4g n VAL 118 Cb 0.39 0.87 -0.06 0.00 -1.47 0.00 0.00 33.84 33.56 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 -0.84 -0.58 -0.30 6.34 5.65 -1.10 -4.49 115.29 119.98 2q4g s HIS 119 Ca 0.00 1.27 -0.10 0.00 0.25 0.00 0.00 55.06 56.49 2q4g s HIS 119 Cb 0.00 0.36 -0.02 0.00 -1.18 0.00 0.00 32.58 31.74 2q4g s HIS 119 CO 0.00 -0.36 0.15 0.12 -0.65 0.00 0.00 174.74 174.00 2q4g s PHE 120 N -0.24 3.17 -0.20 3.88 5.36 -1.26 -0.97 117.98 127.71 2q4g s PHE 120 Ca -0.01 -0.41 -0.03 0.00 -0.96 0.00 0.00 56.93 55.52 2q4g s PHE 120 Cb -0.03 -2.35 -0.21 0.00 -0.34 0.00 0.00 43.02 40.09 2q4g s PHE 120 CO 0.00 -0.38 0.03 -3.47 -1.46 0.00 0.00 175.22 169.93 2q4g n ASP 121 N 5.00 2.04 -3.67 6.13 -0.08 -0.57 -4.97 116.55 120.42 2q4g n ASP 121 Ca -0.14 0.05 -0.00 0.00 -1.51 0.00 0.00 54.79 53.19 2q4g n ASP 121 Cb 0.50 -0.64 -0.01 0.00 2.34 0.00 0.00 41.12 43.31 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 -2.53 -2.03 0.03 -1.67 0.00 -1.17 -4.88 121.76 109.52 2q4g s ALA 122 Ca -0.30 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.19 2q4g s ALA 122 Cb 0.08 0.48 -0.02 0.00 0.00 0.00 0.00 23.12 23.65 2q4g s ALA 122 CO 0.66 -1.05 -0.20 -1.54 0.00 0.00 0.00 175.76 173.63 2q4g s SER 123 N -2.99 2.39 -0.10 0.00 1.04 -1.26 -1.10 113.70 111.68 2q4g s SER 123 Ca 0.14 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.11 2q4g s SER 123 Cb 0.02 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.95 2q4g s SER 123 CO -0.01 0.17 -0.17 -0.69 0.98 0.00 0.00 173.24 173.51 2q4g s VAL 124 N -0.74 1.59 -0.51 5.02 1.01 0.15 -4.93 120.40 121.99 2q4g s VAL 124 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2q4g s VAL 124 Cb -0.08 -1.43 0.12 0.00 0.00 0.00 0.00 36.38 34.99 2q4g s VAL 124 CO 0.01 0.46 0.43 -0.70 0.00 0.00 0.00 175.10 175.30 2q4g s GLU 125 N 0.75 2.79 -0.08 2.72 2.12 -1.26 0.28 118.70 126.02 2q4g s GLU 125 Ca -0.11 -1.70 0.11 0.00 0.36 0.00 0.00 54.97 53.63 2q4g s GLU 125 Cb -0.16 -4.14 0.20 0.00 0.26 0.00 0.00 34.13 30.29 2q4g s GLU 125 CO 0.02 -1.25 1.11 -0.40 -0.54 0.00 0.00 175.26 174.21 2q4g n ASP 126 N 5.11 2.34 0.00 -1.70 3.85 -1.26 -5.05 116.55 119.84 2q4g n ASP 126 Ca -0.12 -2.62 0.00 0.00 -0.71 0.00 0.00 54.79 51.34 2q4g n ASP 126 Cb 0.41 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 2q4g n ASP 126 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65