#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5q s GLU 2 N 0.00 3.93 0.56 1.64 2.12 -1.26 -5.08 118.70 120.60 1a5q s GLU 2 Ca 0.00 -0.35 -0.20 0.00 0.36 0.00 0.00 54.97 54.77 1a5q s GLU 2 Cb 0.00 -3.37 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 1a5q s GLU 2 CO 0.00 0.07 1.24 0.95 -0.54 0.00 0.00 175.26 176.98 1a5q s THR 3 N 0.97 2.56 0.57 -1.70 -4.23 -1.26 -4.80 115.64 107.75 1a5q s THR 3 Ca 0.05 0.38 0.26 0.00 -1.18 0.00 0.00 61.69 61.21 1a5q s THR 3 Cb -0.14 -3.17 0.35 0.00 1.34 0.00 0.00 72.50 70.89 1a5q s THR 3 CO 0.03 -0.05 2.10 0.00 -0.54 0.00 0.00 174.62 176.17 1a5q h ALA 4 N 1.24 1.93 0.13 3.99 0.00 -1.98 -1.61 119.26 122.97 1a5q h ALA 4 Ca -0.50 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.15 1a5q h ALA 4 Cb 1.29 0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.12 1a5q h ALA 4 CO 0.57 -0.30 -1.06 0.00 0.00 0.00 0.00 179.25 178.45 1a5q h ALA 5 N 1.81 -0.05 -0.27 0.00 0.00 -1.88 -2.79 119.26 116.08 1a5q h ALA 5 Ca 0.10 -0.73 -0.06 0.00 0.00 0.00 0.00 54.91 54.22 1a5q h ALA 5 Cb 0.48 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1a5q h ALA 5 CO -0.00 0.54 -0.08 0.00 0.00 0.00 0.00 179.25 179.71 1a5q h ALA 6 N 0.21 1.36 -0.35 0.00 0.00 -1.75 -2.42 119.26 116.31 1a5q h ALA 6 Ca -0.17 -0.23 -0.12 0.00 0.00 0.00 0.00 54.91 54.39 1a5q h ALA 6 Cb 1.79 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1a5q h ALA 6 CO 0.20 0.44 -0.28 -0.22 0.00 0.00 0.00 179.25 179.38 1a5q h LYS 7 N 0.41 0.73 -0.34 0.00 3.64 -1.35 -1.43 116.57 118.24 1a5q h LYS 7 Ca 0.08 -0.32 -0.11 0.00 -1.27 0.00 0.00 60.65 59.03 1a5q h LYS 7 Cb 0.40 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 1a5q h LYS 7 CO 0.02 0.93 -0.25 0.35 -2.27 0.00 0.00 179.45 178.23 1a5q h PHE 8 N 0.62 0.76 -0.16 1.91 3.04 -1.18 -1.75 116.94 120.17 1a5q h PHE 8 Ca 0.08 -0.17 -0.04 0.00 3.98 0.00 0.00 57.97 61.81 1a5q h PHE 8 Cb 0.80 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.12 1a5q h PHE 8 CO 0.04 0.85 -0.05 0.93 -2.02 0.00 0.00 178.31 178.07 1a5q h GLU 9 N 0.58 0.32 -0.48 1.11 5.08 -1.17 -0.07 114.58 119.94 1a5q h GLU 9 Ca 0.08 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1a5q h GLU 9 Cb 0.73 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 1a5q h GLU 9 CO 0.06 0.60 0.26 -0.09 -1.00 0.00 0.00 179.01 178.83 1a5q h ARG 10 N 0.02 0.68 0.00 2.33 2.43 -1.17 -1.33 114.38 117.34 1a5q h ARG 10 Ca 0.04 -0.08 -0.18 0.00 -0.81 0.00 0.00 59.98 58.95 1a5q h ARG 10 Cb 0.48 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1a5q h ARG 10 CO 0.02 0.54 -0.84 1.96 -1.51 0.00 0.00 179.97 180.13 1a5q h GLN 11 N 0.64 0.00 0.00 0.20 4.20 -1.31 -3.42 115.11 115.43 1a5q h GLN 11 Ca 0.17 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 1a5q h GLN 11 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1a5q h GLN 11 CO -0.03 0.84 -0.95 0.72 -0.67 0.00 0.00 178.83 178.75 1a5q n HIS 12 N -3.31 0.00 -3.02 2.96 8.25 -0.05 -4.67 115.22 115.38 1a5q n HIS 12 Ca 0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.07 1a5q n HIS 12 Cb 0.88 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.94 1a5q n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1a5q s MET 13 N -1.90 4.45 -0.43 -0.41 -1.94 -0.50 0.07 119.30 118.63 1a5q s MET 13 Ca 0.00 0.95 0.08 0.00 -1.71 0.00 0.00 55.69 55.01 1a5q s MET 13 Cb 0.00 -3.41 0.28 0.00 2.01 0.00 0.00 34.83 33.71 1a5q s MET 13 CO 0.00 0.16 0.80 -3.47 -0.01 0.00 0.00 175.02 172.50 1a5q n ASP 14 N 3.36 -1.23 0.13 3.03 -0.08 -0.84 -4.87 116.55 116.06 1a5q n ASP 14 Ca -0.02 -3.15 0.13 0.00 -1.51 0.00 0.00 54.79 50.24 1a5q n ASP 14 Cb 0.51 0.69 0.45 0.00 2.34 0.00 0.00 41.12 45.11 1a5q n ASP 14 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1a5q h SER 15 N 3.63 0.00 -0.32 1.67 0.02 -1.71 -3.29 113.55 113.55 1a5q h SER 15 Ca -0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1a5q h SER 15 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 1a5q h SER 15 CO 0.36 0.00 0.12 0.77 -1.14 0.00 0.00 176.83 176.94 1a5q h SER 16 N 0.00 0.52 -2.57 3.07 4.64 -1.93 -3.43 113.55 113.84 1a5q h SER 16 Ca 0.00 -0.07 -0.57 0.00 -0.47 0.00 0.00 61.79 60.69 1a5q h SER 16 Cb 0.58 -0.13 -0.09 0.00 -0.31 0.00 0.00 62.40 62.45 1a5q h SER 16 CO 0.00 0.51 -0.61 0.28 -0.87 0.00 0.00 176.83 176.13 1a5q s THR 17 N -5.19 3.97 -0.12 2.95 -1.32 -1.24 -5.01 115.64 109.68 1a5q s THR 17 Ca -0.08 -1.45 0.15 0.00 -1.21 0.00 0.00 61.69 59.10 1a5q s THR 17 Cb 0.16 -3.06 -0.03 0.00 -1.51 0.00 0.00 72.50 68.07 1a5q s THR 17 CO 0.76 -0.21 1.22 0.77 -2.21 0.00 0.00 174.62 174.95 1a5q h SER 18 N 2.24 0.00 -4.50 8.08 4.64 -1.87 -3.44 113.55 118.70 1a5q h SER 18 Ca -0.47 0.00 0.33 0.00 -0.47 0.00 0.00 61.79 61.18 1a5q h SER 18 Cb 1.22 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 63.12 1a5q h SER 18 CO 0.60 0.57 0.95 0.00 -0.87 0.00 0.00 176.83 178.08 1a5q s ALA 19 N -2.93 -2.24 -0.39 5.18 0.00 -1.26 -4.82 121.76 115.30 1a5q s ALA 19 Ca 0.01 1.64 -0.39 0.00 0.00 0.00 0.00 51.96 53.22 1a5q s ALA 19 Cb 0.08 -0.21 -0.15 0.00 0.00 0.00 0.00 23.12 22.85 1a5q s ALA 19 CO 0.77 -0.67 2.08 0.00 0.00 0.00 0.00 175.76 177.95 1a5q n ALA 20 N -0.13 0.54 0.03 0.00 0.00 -1.26 -4.85 120.51 114.84 1a5q n ALA 20 Ca 0.01 0.11 -0.20 0.00 0.00 0.00 0.00 53.44 53.37 1a5q n ALA 20 Cb 0.58 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 1a5q n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1a5q h SER 21 N 10.28 0.86 -5.43 0.00 4.64 -2.00 -3.48 113.55 118.41 1a5q h SER 21 Ca -0.26 -0.73 -0.26 0.00 -0.47 0.00 0.00 61.79 60.07 1a5q h SER 21 Cb 1.35 -0.26 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1a5q h SER 21 CO 1.03 1.48 -0.62 -0.94 -0.87 0.00 0.00 176.83 176.91 1a5q s SER 22 N -7.19 0.31 0.00 4.97 1.04 -1.26 -5.02 113.70 106.55 1a5q s SER 22 Ca -0.10 -1.39 0.15 0.00 0.48 0.00 0.00 55.95 55.08 1a5q s SER 22 Cb 0.06 0.35 0.75 0.00 0.10 0.00 0.00 66.02 67.28 1a5q s SER 22 CO 0.90 -0.83 1.39 -1.54 0.98 0.00 0.00 173.24 174.15 1a5q n SER 23 N -0.30 0.00 -0.60 7.02 3.41 -1.26 -1.96 113.62 119.93 1a5q n SER 23 Ca 0.02 0.03 0.11 0.00 -0.26 0.00 0.00 58.87 58.77 1a5q n SER 23 Cb 0.66 -0.26 0.04 0.00 -0.26 0.00 0.00 64.21 64.39 1a5q n SER 23 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1a5q n ASN 24 N -1.26 2.22 -0.09 4.04 4.13 -1.26 -4.47 115.26 118.58 1a5q n ASN 24 Ca 0.07 -1.61 -0.06 0.00 1.68 0.00 0.00 54.58 54.66 1a5q n ASN 24 Cb 0.11 0.35 -0.00 0.00 -1.54 0.00 0.00 39.78 38.69 1a5q n ASN 24 CO 0.00 0.00 0.00 0.22 0.28 0.00 0.00 177.26 177.76 1a5q h TYR 25 N 2.94 -0.45 -0.69 3.10 5.03 -1.79 -0.18 116.97 124.93 1a5q h TYR 25 Ca 0.00 0.04 0.02 0.00 2.58 0.00 0.00 58.73 61.37 1a5q h TYR 25 Cb 0.80 0.25 -0.04 0.00 1.55 0.00 0.00 36.73 39.29 1a5q h TYR 25 CO 0.00 -0.25 0.44 0.00 -1.32 0.00 0.00 178.16 177.02 1a5q h ASN 27 N 0.87 0.78 0.28 0.00 -0.26 -1.60 0.93 115.58 116.58 1a5q h ASN 27 Ca 0.27 -0.08 -0.01 0.00 -0.56 0.00 0.00 56.30 55.92 1a5q h ASN 27 Cb -0.01 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.05 1a5q h ASN 27 CO -0.09 0.67 -0.14 1.56 -1.06 0.00 0.00 177.43 178.37 1a5q h GLN 28 N 0.86 -0.37 -0.82 0.81 4.20 -0.20 -3.13 115.11 116.47 1a5q h GLN 28 Ca 0.21 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1a5q h GLN 28 Cb 0.10 0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 1a5q h GLN 28 CO -0.03 -0.25 0.38 0.52 -0.67 0.00 0.00 178.83 178.79 1a5q h MET 29 N -0.55 1.19 -0.40 1.46 2.86 -0.68 0.78 114.93 119.59 1a5q h MET 29 Ca -0.04 -0.18 0.04 0.00 -2.06 0.00 0.00 59.70 57.45 1a5q h MET 29 Cb 0.29 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1a5q h MET 29 CO 0.06 0.93 0.27 0.52 1.06 0.00 0.00 176.91 179.75 1a5q h MET 30 N 1.18 0.38 0.02 1.72 2.86 -0.94 -0.97 114.93 119.17 1a5q h MET 30 Ca 0.28 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 1a5q h MET 30 Cb 0.14 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.71 1a5q h MET 30 CO -0.03 0.25 -0.01 -0.22 1.06 0.00 0.00 176.91 177.96 1a5q h LYS 31 N 0.39 -0.03 0.00 1.72 1.63 -1.25 -1.69 116.57 117.34 1a5q h LYS 31 Ca 0.17 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1a5q h LYS 31 Cb 0.17 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.81 1a5q h LYS 31 CO -0.04 0.69 0.00 0.66 -3.45 0.00 0.00 179.45 177.31 1a5q h SER 32 N -0.94 0.00 -0.40 4.20 4.64 -0.64 -2.11 113.55 118.30 1a5q h SER 32 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a5q h SER 32 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1a5q h SER 32 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 1a5q n ARG 33 N -2.81 2.17 -2.78 4.77 5.12 -0.39 -4.94 116.66 117.79 1a5q n ARG 33 Ca -0.00 -1.79 -0.15 0.00 -1.93 0.00 0.00 57.85 53.97 1a5q n ARG 33 Cb 0.19 -1.43 0.03 0.00 -1.16 0.00 0.00 32.46 30.09 1a5q n ARG 33 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1a5q n ASN 34 N 0.98 -4.67 -1.49 0.55 5.15 -0.79 -4.85 115.26 110.13 1a5q n ASN 34 Ca 0.18 -0.20 0.09 0.00 -0.60 0.00 0.00 54.58 54.05 1a5q n ASN 34 Cb 0.46 -3.53 0.34 0.00 -0.53 0.00 0.00 39.78 36.52 1a5q n ASN 34 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1a5q n LEU 35 N -2.83 4.67 -0.74 1.20 4.77 -0.64 -4.39 117.00 119.03 1a5q n LEU 35 Ca -0.08 -2.52 0.03 0.00 -0.03 0.00 0.00 56.01 53.41 1a5q n LEU 35 Cb 0.58 -0.56 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1a5q n LEU 35 CO 0.32 0.78 0.25 0.35 -1.33 0.00 0.00 177.39 177.76 1a5q n THR 36 N 0.87 0.44 0.00 -5.08 -2.24 -1.25 -2.19 114.28 104.83 1a5q n THR 36 Ca 0.25 -0.87 -0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1a5q n THR 36 Cb 0.89 0.48 -0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1a5q n THR 36 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1a5q h LYS 37 N 0.38 -0.03 0.00 -0.78 6.56 -1.93 -3.37 116.57 117.40 1a5q h LYS 37 Ca -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1a5q h LYS 37 Cb 1.46 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 1a5q h LYS 37 CO 0.03 -0.02 0.00 -0.25 -2.06 0.00 0.00 179.45 177.15 1a5q n ASP 38 N -2.43 0.00 0.00 0.86 8.00 -1.26 -4.91 116.55 116.81 1a5q n ASP 38 Ca -0.00 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1a5q n ASP 38 Cb 0.01 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1a5q n ASP 38 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1a5q n ARG 39 N -1.04 0.00 -2.97 -1.24 -4.01 -1.26 -5.11 116.66 101.04 1a5q n ARG 39 Ca 0.22 0.00 -0.42 0.00 -1.04 0.00 0.00 57.85 56.62 1a5q n ARG 39 Cb 0.13 0.00 -0.05 0.00 -3.04 0.00 0.00 32.46 29.50 1a5q n ARG 39 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 1a5q s LYS 41 N 2.82 4.15 0.47 0.00 2.20 -0.93 -4.84 119.74 123.60 1a5q s LYS 41 Ca 0.32 2.28 0.22 0.00 -0.36 0.00 0.00 55.97 58.43 1a5q s LYS 41 Cb -0.15 -4.04 1.18 0.00 -1.51 0.00 0.00 37.83 33.32 1a5q s LYS 41 CO 0.10 -0.90 1.98 -1.00 -0.36 0.00 0.00 175.35 175.17 1a5q h PRO 42 N 9.91 0.00 -2.79 4.03 0.13 -1.93 -3.42 132.00 137.93 1a5q h PRO 42 Ca -0.42 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.59 1a5q h PRO 42 Cb 1.19 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.08 1a5q h PRO 42 CO 0.95 0.19 -0.26 0.08 -0.23 0.00 0.00 178.00 178.73 1a5q s VAL 43 N -4.20 -0.00 -0.11 1.56 1.01 -1.26 0.47 120.40 117.88 1a5q s VAL 43 Ca -0.03 0.00 -0.25 0.00 0.00 0.00 0.00 61.98 61.70 1a5q s VAL 43 Cb 0.13 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 36.03 1a5q s VAL 43 CO 0.63 0.00 0.60 0.21 0.00 0.00 0.00 175.10 176.54 1a5q s ASN 44 N 0.23 -0.58 -0.07 3.32 2.47 -0.03 -5.01 114.94 115.27 1a5q s ASN 44 Ca -0.00 0.80 0.05 0.00 0.42 0.00 0.00 52.86 54.13 1a5q s ASN 44 Cb -0.03 0.75 -0.01 0.00 -1.45 0.00 0.00 41.25 40.52 1a5q s ASN 44 CO 0.00 -0.45 -0.24 -0.89 -3.72 0.00 0.00 177.10 171.80 1a5q s THR 45 N -0.69 2.03 -0.08 -5.21 2.01 -1.26 -0.75 115.64 111.68 1a5q s THR 45 Ca -0.08 -1.04 -0.01 0.00 0.31 0.00 0.00 61.69 60.88 1a5q s THR 45 Cb -0.02 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 1a5q s THR 45 CO 0.06 0.56 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.17 1a5q s PHE 46 N 0.04 3.09 -0.17 4.92 0.08 -0.43 -4.40 117.98 121.12 1a5q s PHE 46 Ca -0.10 0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.06 1a5q s PHE 46 Cb -0.15 -1.77 -0.02 0.00 -0.57 0.00 0.00 43.02 40.51 1a5q s PHE 46 CO 0.06 0.42 -0.06 0.08 -0.10 0.00 0.00 175.22 175.62 1a5q s VAL 47 N -0.84 3.53 -1.11 -0.44 1.01 0.11 -0.60 120.40 122.06 1a5q s VAL 47 Ca 0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1a5q s VAL 47 Cb -0.11 -2.55 0.27 0.00 0.00 0.00 0.00 36.38 33.98 1a5q s VAL 47 CO 0.02 0.48 1.89 1.41 0.00 0.00 0.00 175.10 178.90 1a5q n HIS 48 N 3.95 2.65 -4.30 5.22 -0.00 0.38 -1.98 115.22 121.14 1a5q n HIS 48 Ca -0.18 -2.63 -0.16 0.00 -0.00 0.00 0.00 57.72 54.75 1a5q n HIS 48 Cb 0.52 -1.38 -0.10 0.00 -0.00 0.00 0.00 29.99 29.02 1a5q n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 1a5q s GLU 49 N -3.14 1.41 0.39 -0.41 0.41 -1.26 -4.61 118.70 111.48 1a5q s GLU 49 Ca 0.41 -1.76 -0.25 0.00 -0.41 0.00 0.00 54.97 52.95 1a5q s GLU 49 Cb 0.16 -0.18 -0.09 0.00 -1.78 0.00 0.00 34.13 32.25 1a5q s GLU 49 CO -0.07 -0.33 1.13 -1.54 -0.49 0.00 0.00 175.26 173.96 1a5q s SER 50 N -3.30 6.64 0.23 -0.19 1.04 -1.26 -4.06 113.70 112.79 1a5q s SER 50 Ca 0.38 2.25 -0.09 0.00 0.48 0.00 0.00 55.95 58.97 1a5q s SER 50 Cb 0.07 -2.61 0.36 0.00 0.10 0.00 0.00 66.02 63.95 1a5q s SER 50 CO 0.14 -0.59 1.67 0.25 0.98 0.00 0.00 173.24 175.69 1a5q h LEU 51 N 2.67 -0.16 -0.09 2.42 5.85 -1.98 0.21 115.31 124.23 1a5q h LEU 51 Ca -0.48 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.42 1a5q h LEU 51 Cb 1.23 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.46 1a5q h LEU 51 CO 0.63 -0.08 -0.17 0.00 -0.34 0.00 0.00 178.44 178.47 1a5q h ALA 52 N 1.58 -0.13 -0.56 1.25 0.00 -1.99 0.13 119.26 119.55 1a5q h ALA 52 Ca 0.36 0.03 0.12 0.00 0.00 0.00 0.00 54.91 55.43 1a5q h ALA 52 Cb 0.59 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 1a5q h ALA 52 CO -0.52 -0.64 0.38 -0.44 0.00 0.00 0.00 179.25 178.04 1a5q h ASP 53 N -0.23 0.19 0.80 0.00 5.19 -1.37 -0.59 116.42 120.41 1a5q h ASP 53 Ca 0.08 0.01 -0.24 0.00 -0.62 0.00 0.00 57.03 56.26 1a5q h ASP 53 Cb 0.35 -0.03 -0.03 0.00 0.18 0.00 0.00 39.33 39.80 1a5q h ASP 53 CO -0.22 0.11 -1.23 0.58 -3.12 0.00 0.00 179.24 175.35 1a5q h VAL 54 N 0.21 1.45 -0.03 -1.35 2.07 0.10 -3.28 116.25 115.42 1a5q h VAL 54 Ca 0.26 -3.17 -0.14 0.00 0.82 0.00 0.00 66.70 64.47 1a5q h VAL 54 Cb 0.76 2.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1a5q h VAL 54 CO -0.05 0.85 -0.64 1.56 0.02 0.00 0.00 177.57 179.31 1a5q h GLN 55 N 0.01 0.13 0.00 1.57 4.20 0.34 -2.74 115.11 118.63 1a5q h GLN 55 Ca -0.11 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.51 1a5q h GLN 55 Cb 1.87 0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.66 1a5q h GLN 55 CO 0.13 0.73 0.00 0.00 -0.67 0.00 0.00 178.83 179.01 1a5q n ALA 56 N -2.45 1.43 0.23 3.87 0.00 -0.34 -1.67 120.51 121.58 1a5q n ALA 56 Ca -0.02 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.55 1a5q n ALA 56 Cb 0.64 -1.23 0.52 0.00 0.00 0.00 0.00 19.45 19.38 1a5q n ALA 56 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1a5q h VAL 57 N 0.00 0.52 0.00 0.00 2.07 -1.58 -2.28 116.25 114.98 1a5q h VAL 57 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1a5q h VAL 57 Cb 0.19 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1a5q h VAL 57 CO 0.00 0.19 0.00 0.00 0.02 0.00 0.00 177.57 177.78 1a5q n SER 59 N -1.12 1.62 0.00 0.00 3.41 -0.86 -5.01 113.62 111.67 1a5q n SER 59 Ca 0.07 -3.16 0.00 0.00 -0.26 0.00 0.00 58.87 55.52 1a5q n SER 59 Cb 0.06 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 1a5q n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a5q n GLN 60 N -0.86 3.50 -1.85 4.33 6.02 -0.68 -5.02 117.38 122.81 1a5q n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.70 1a5q n GLN 60 Cb 0.74 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.97 1a5q n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1a5q s LYS 61 N 3.95 3.68 -0.05 -1.09 2.47 -1.13 -4.82 119.74 122.75 1a5q s LYS 61 Ca 0.00 2.01 -0.30 0.00 -1.56 0.00 0.00 55.97 56.12 1a5q s LYS 61 Cb 0.00 -4.17 -0.03 0.00 -1.46 0.00 0.00 37.83 32.17 1a5q s LYS 61 CO 0.00 -1.46 1.11 1.21 0.16 0.00 0.00 175.35 176.37 1a5q s ASN 62 N 5.51 7.16 0.16 1.43 3.84 -1.26 0.19 114.94 131.97 1a5q s ASN 62 Ca 0.84 1.73 -0.01 0.00 0.21 0.00 0.00 52.86 55.63 1a5q s ASN 62 Cb -0.32 -2.56 -0.04 0.00 -0.55 0.00 0.00 41.25 37.78 1a5q s ASN 62 CO 0.34 -0.48 0.08 0.68 -2.79 0.00 0.00 177.10 174.93 1a5q s VAL 63 N 1.84 0.12 0.60 -5.21 -7.23 -0.36 -4.93 120.40 105.23 1a5q s VAL 63 Ca 0.53 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.58 1a5q s VAL 63 Cb -0.23 -2.21 -0.03 0.00 0.56 0.00 0.00 36.38 34.47 1a5q s VAL 63 CO 0.22 -0.30 1.16 0.00 -0.31 0.00 0.00 175.10 175.87 1a5q s ALA 64 N -4.05 2.56 0.52 1.32 0.00 -1.26 -3.32 121.76 117.53 1a5q s ALA 64 Ca 0.29 0.84 -0.07 0.00 0.00 0.00 0.00 51.96 53.03 1a5q s ALA 64 Cb 0.07 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 1a5q s ALA 64 CO 0.06 -1.08 0.85 0.00 0.00 0.00 0.00 175.76 175.58 1a5q h LYS 66 N 0.07 0.00 -0.58 0.00 3.64 -1.91 0.16 116.57 117.96 1a5q h LYS 66 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 1a5q h LYS 66 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1a5q h LYS 66 CO 0.62 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.07 1a5q n ASN 67 N -3.94 3.24 0.00 4.20 0.23 -1.26 -4.90 115.26 112.82 1a5q n ASN 67 Ca 0.03 -2.17 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 1a5q n ASN 67 Cb 0.39 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1a5q n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a5q n GLY 68 N 1.13 3.02 3.41 4.83 0.00 0.05 -5.03 105.19 112.59 1a5q n GLY 68 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 1a5q n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1a5q n GLN 69 N -0.52 0.38 -0.51 1.61 6.02 -1.26 -4.39 117.38 118.72 1a5q n GLN 69 Ca 0.00 0.15 0.07 0.00 -0.01 0.00 0.00 57.00 57.21 1a5q n GLN 69 Cb 0.00 -1.54 0.26 0.00 1.02 0.00 0.00 30.24 29.98 1a5q n GLN 69 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1a5q n THR 70 N -1.68 2.35 -1.54 5.09 5.66 -1.26 0.82 114.28 123.72 1a5q n THR 70 Ca 0.11 -1.91 -0.18 0.00 -3.05 0.00 0.00 64.05 59.02 1a5q n THR 70 Cb 0.48 -0.27 0.13 0.00 -1.55 0.00 0.00 70.33 69.12 1a5q n THR 70 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 1a5q n ASN 71 N -0.49 4.30 -4.85 1.09 0.23 -1.26 -4.80 115.26 109.48 1a5q n ASN 71 Ca 0.23 -3.77 -0.31 0.00 -0.53 0.00 0.00 54.58 50.20 1a5q n ASN 71 Cb 0.93 -0.67 -0.05 0.00 -2.08 0.00 0.00 39.78 37.91 1a5q n ASN 71 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1a5q s TYR 73 N -1.42 0.92 -0.17 0.00 1.51 0.07 -1.23 117.35 117.02 1a5q s TYR 73 Ca 0.31 -0.18 -0.07 0.00 -1.01 0.00 0.00 57.07 56.12 1a5q s TYR 73 Cb -0.13 -0.60 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1a5q s TYR 73 CO 0.24 -0.03 0.05 -1.14 -1.11 0.00 0.00 175.55 173.55 1a5q s GLN 74 N -0.17 3.90 0.32 -0.62 0.74 0.13 -2.01 119.66 121.95 1a5q s GLN 74 Ca 0.03 -0.37 -0.29 0.00 0.05 0.00 0.00 55.36 54.78 1a5q s GLN 74 Cb -0.05 -3.15 -0.11 0.00 1.10 0.00 0.00 33.01 30.80 1a5q s GLN 74 CO -0.00 0.29 1.49 -1.54 -0.55 0.00 0.00 175.29 174.98 1a5q s SER 75 N 0.30 6.46 0.19 6.67 1.04 -0.68 -2.84 113.70 124.84 1a5q s SER 75 Ca 0.02 2.91 -0.12 0.00 0.48 0.00 0.00 55.95 59.24 1a5q s SER 75 Cb -0.13 -2.65 0.11 0.00 0.10 0.00 0.00 66.02 63.46 1a5q s SER 75 CO 0.01 -0.81 1.83 1.88 0.98 0.00 0.00 173.24 177.13 1a5q h TYR 76 N 3.97 0.87 -1.46 5.02 0.05 -1.95 -3.44 116.97 120.03 1a5q h TYR 76 Ca -0.49 -0.00 -0.45 0.00 0.05 0.00 0.00 58.73 57.84 1a5q h TYR 76 Cb 1.23 -0.29 -0.00 0.00 1.01 0.00 0.00 36.73 38.68 1a5q h TYR 76 CO 0.56 0.59 -0.31 0.45 -1.05 0.00 0.00 178.16 178.40 1a5q s SER 77 N -5.89 5.38 0.35 3.88 0.15 -1.26 -5.06 113.70 111.25 1a5q s SER 77 Ca -0.13 -0.57 -0.17 0.00 0.70 0.00 0.00 55.95 55.78 1a5q s SER 77 Cb 0.14 -0.60 -0.10 0.00 -1.71 0.00 0.00 66.02 63.75 1a5q s SER 77 CO 0.77 -0.73 0.80 0.42 1.20 0.00 0.00 173.24 175.71 1a5q s THR 78 N -2.41 4.59 0.11 6.45 -4.23 -1.26 -4.42 115.64 114.46 1a5q s THR 78 Ca 0.52 1.12 0.07 0.00 -1.18 0.00 0.00 61.69 62.22 1a5q s THR 78 Cb -0.07 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1a5q s THR 78 CO 0.31 -0.21 -0.17 -0.04 -0.54 0.00 0.00 174.62 173.97 1a5q s MET 79 N -3.01 1.04 -0.01 3.99 -1.94 0.19 -4.79 119.30 114.77 1a5q s MET 79 Ca 0.56 -1.16 -0.30 0.00 -1.71 0.00 0.00 55.69 53.08 1a5q s MET 79 Cb -0.10 -1.10 -0.05 0.00 2.01 0.00 0.00 34.83 35.59 1a5q s MET 79 CO 0.16 0.24 1.28 0.45 -0.01 0.00 0.00 175.02 177.14 1a5q s SER 80 N -2.12 6.98 0.09 3.03 0.15 -1.26 -1.20 113.70 119.37 1a5q s SER 80 Ca 0.06 1.98 -0.05 0.00 0.70 0.00 0.00 55.95 58.64 1a5q s SER 80 Cb -0.08 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 1a5q s SER 80 CO 0.04 -0.61 0.10 0.27 1.20 0.00 0.00 173.24 174.24 1a5q s ILE 81 N 2.00 0.16 -0.08 6.45 -5.25 0.29 -0.47 121.20 124.31 1a5q s ILE 81 Ca 0.59 -1.52 0.03 0.00 -0.99 0.00 0.00 60.65 58.77 1a5q s ILE 81 Cb -0.28 -1.53 0.01 0.00 2.95 0.00 0.00 42.46 43.60 1a5q s ILE 81 CO 0.25 -0.73 -0.15 -0.89 -1.79 0.00 0.00 174.94 171.63 1a5q s THR 82 N -3.91 1.38 -0.25 8.37 2.01 0.23 -0.96 115.64 122.51 1a5q s THR 82 Ca 0.09 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1a5q s THR 82 Cb 0.06 -1.24 -0.05 0.00 0.01 0.00 0.00 72.50 71.29 1a5q s THR 82 CO -0.08 0.41 0.26 -0.62 -0.69 0.00 0.00 174.62 173.89 1a5q s ASP 83 N 0.59 6.17 -0.27 3.53 -1.08 0.12 -1.31 116.67 124.42 1a5q s ASP 83 Ca -0.16 0.18 -0.06 0.00 -0.52 0.00 0.00 52.55 51.99 1a5q s ASP 83 Cb -0.16 -2.15 -0.00 0.00 -1.46 0.00 0.00 42.92 39.14 1a5q s ASP 83 CO 0.05 -0.05 0.05 0.00 0.52 0.00 0.00 175.17 175.75 1a5q s ARG 85 N 1.52 2.12 0.12 0.00 6.06 -0.97 -0.85 118.95 126.94 1a5q s ARG 85 Ca 0.04 -0.52 -0.33 0.00 -2.50 0.00 0.00 55.73 52.41 1a5q s ARG 85 Cb -0.16 -1.82 -0.13 0.00 0.06 0.00 0.00 34.95 32.90 1a5q s ARG 85 CO 0.02 -0.07 1.69 -1.91 -2.50 0.00 0.00 175.30 172.52 1a5q n GLU 86 N 4.22 2.32 -1.49 5.12 2.13 0.18 -0.79 120.64 132.33 1a5q n GLU 86 Ca -0.19 0.84 -0.30 0.00 0.66 0.00 0.00 57.16 58.17 1a5q n GLU 86 Cb 0.51 -2.65 0.10 0.00 0.27 0.00 0.00 31.44 29.67 1a5q n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1a5q s THR 87 N 1.76 3.01 0.23 6.31 -4.23 -0.64 -4.82 115.64 117.25 1a5q s THR 87 Ca 0.81 0.33 -0.08 0.00 -1.18 0.00 0.00 61.69 61.57 1a5q s THR 87 Cb -0.63 -3.02 0.20 0.00 1.34 0.00 0.00 72.50 70.38 1a5q s THR 87 CO 0.39 -0.43 1.88 1.23 -0.54 0.00 0.00 174.62 177.16 1a5q h GLY 88 N -1.16 1.24 -4.60 3.99 0.00 -1.92 -2.83 103.07 97.79 1a5q h GLY 88 Ca -0.47 -0.50 -0.46 0.00 0.00 0.00 0.00 47.33 45.89 1a5q h GLY 88 CO 0.58 0.49 0.85 -1.14 0.00 0.00 0.00 176.54 177.31 1a5q n SER 89 N -4.44 6.60 -4.45 0.19 3.41 -1.26 -4.87 113.62 108.81 1a5q n SER 89 Ca 0.09 -2.91 -0.33 0.00 -0.26 0.00 0.00 58.87 55.46 1a5q n SER 89 Cb 0.04 -1.34 -0.13 0.00 -0.26 0.00 0.00 64.21 62.51 1a5q n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1a5q s SER 90 N 1.04 3.99 -0.10 4.04 0.15 -1.07 -4.69 113.70 117.05 1a5q s SER 90 Ca 0.62 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 57.00 1a5q s SER 90 Cb 0.31 -1.00 0.05 0.00 -1.71 0.00 0.00 66.02 63.67 1a5q s SER 90 CO -0.12 0.30 0.15 -0.75 1.20 0.00 0.00 173.24 174.03 1a5q s LYS 91 N -0.48 0.04 0.05 5.44 2.47 -0.85 -4.89 119.74 121.53 1a5q s LYS 91 Ca 0.06 0.44 -0.35 0.00 -1.56 0.00 0.00 55.97 54.56 1a5q s LYS 91 Cb -0.12 -0.57 -0.14 0.00 -1.46 0.00 0.00 37.83 35.55 1a5q s LYS 91 CO 0.02 -0.39 1.65 0.98 0.16 0.00 0.00 175.35 177.77 1a5q n TYR 92 N 5.32 2.20 -0.56 4.03 9.36 -1.26 0.31 117.16 136.56 1a5q n TYR 92 Ca -0.05 0.23 -0.17 0.00 3.32 0.00 0.00 57.90 61.24 1a5q n TYR 92 Cb 0.50 -2.55 0.12 0.00 -0.63 0.00 0.00 39.34 36.77 1a5q n TYR 92 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a5q n ALA 93 N 4.41 4.69 -3.88 2.98 0.00 -1.26 -5.01 120.51 122.45 1a5q n ALA 93 Ca 0.19 -2.00 -0.29 0.00 0.00 0.00 0.00 53.44 51.34 1a5q n ALA 93 Cb 0.27 -1.32 -0.12 0.00 0.00 0.00 0.00 19.45 18.28 1a5q n ALA 93 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1a5q s ASN 94 N -0.56 4.86 0.27 0.00 0.02 0.92 -5.07 114.94 115.38 1a5q s ASN 94 Ca 0.39 -3.68 -0.29 0.00 -1.02 0.00 0.00 52.86 48.25 1a5q s ASN 94 Cb 0.33 -1.67 -0.09 0.00 0.02 0.00 0.00 41.25 39.83 1a5q s ASN 94 CO 0.07 -0.12 1.21 0.00 0.02 0.00 0.00 177.10 178.27 1a5q s ALA 96 N -0.77 2.14 -0.01 0.00 0.00 -1.26 -4.91 121.76 116.94 1a5q s ALA 96 Ca 0.49 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.52 1a5q s ALA 96 Cb -0.35 -0.75 -0.01 0.00 0.00 0.00 0.00 23.12 22.01 1a5q s ALA 96 CO 0.43 0.33 -0.16 0.71 0.00 0.00 0.00 175.76 177.08 1a5q s TYR 97 N 0.16 1.40 -0.11 0.00 2.02 -1.26 -1.62 117.35 117.93 1a5q s TYR 97 Ca -0.13 -0.27 -0.22 0.00 -0.37 0.00 0.00 57.07 56.08 1a5q s TYR 97 Cb -0.16 -0.90 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 1a5q s TYR 97 CO 0.07 -0.03 0.64 0.21 -1.57 0.00 0.00 175.55 174.87 1a5q s LYS 98 N -0.35 4.36 -0.18 -0.62 2.20 0.03 -4.62 119.74 120.56 1a5q s LYS 98 Ca 0.06 0.73 -0.06 0.00 -0.36 0.00 0.00 55.97 56.33 1a5q s LYS 98 Cb -0.06 -3.47 -0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1a5q s LYS 98 CO -0.01 0.01 0.03 -0.08 -0.36 0.00 0.00 175.35 174.95 1a5q s THR 99 N 1.02 4.39 -0.18 3.43 -1.32 -1.26 -2.30 115.64 119.42 1a5q s THR 99 Ca 0.33 -0.17 0.01 0.00 -1.21 0.00 0.00 61.69 60.64 1a5q s THR 99 Cb -0.17 -2.97 0.03 0.00 -1.51 0.00 0.00 72.50 67.89 1a5q s THR 99 CO 0.14 0.45 -0.13 -0.89 -2.21 0.00 0.00 174.62 171.99 1a5q s THR 100 N 0.57 1.69 0.19 5.08 2.01 -0.33 -4.96 115.64 119.90 1a5q s THR 100 Ca 0.01 -0.89 -0.18 0.00 0.31 0.00 0.00 61.69 60.94 1a5q s THR 100 Cb -0.13 -1.67 -0.08 0.00 0.01 0.00 0.00 72.50 70.63 1a5q s THR 100 CO 0.02 0.31 0.66 -1.58 -0.69 0.00 0.00 174.62 173.35 1a5q s GLN 101 N 1.40 4.17 0.23 4.92 -0.44 -1.26 0.12 119.66 128.80 1a5q s GLN 101 Ca 0.02 0.75 -0.22 0.00 -2.50 0.00 0.00 55.36 53.41 1a5q s GLN 101 Cb -0.15 -2.91 0.04 0.00 -1.64 0.00 0.00 33.01 28.35 1a5q s GLN 101 CO -0.10 0.43 0.67 0.00 0.50 0.00 0.00 175.29 176.80 1a5q s ALA 102 N -1.48 -1.36 -0.26 1.58 0.00 -0.13 -4.94 121.76 115.17 1a5q s ALA 102 Ca 0.41 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1a5q s ALA 102 Cb -0.16 0.87 0.06 0.00 0.00 0.00 0.00 23.12 23.88 1a5q s ALA 102 CO 0.20 -0.93 -0.11 -0.80 0.00 0.00 0.00 175.76 174.12 1a5q s ASN 103 N -2.85 4.39 0.25 0.00 0.01 -1.26 -0.55 114.94 114.93 1a5q s ASN 103 Ca 0.07 -1.37 -0.12 0.00 -0.71 0.00 0.00 52.86 50.74 1a5q s ASN 103 Cb -0.04 -1.55 -0.01 0.00 0.41 0.00 0.00 41.25 40.07 1a5q s ASN 103 CO -0.01 -0.18 0.46 -0.54 -1.51 0.00 0.00 177.10 175.32 1a5q s LYS 104 N 1.11 1.55 0.29 -0.60 1.02 -0.34 -4.74 119.74 118.02 1a5q s LYS 104 Ca -0.08 -1.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.33 1a5q s LYS 104 Cb -0.20 0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 37.48 1a5q s LYS 104 CO -0.05 -0.64 1.02 -1.01 -0.92 0.00 0.00 175.35 173.75 1a5q s HIS 105 N -3.98 3.68 0.05 3.18 3.76 -1.26 0.54 115.29 121.27 1a5q s HIS 105 Ca 0.24 1.77 0.03 0.00 -0.15 0.00 0.00 55.06 56.95 1a5q s HIS 105 Cb -0.00 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.53 1a5q s HIS 105 CO 0.10 -0.14 0.01 0.96 -0.85 0.00 0.00 174.74 174.82 1a5q s ILE 106 N -1.29 4.16 -0.19 0.60 -4.36 -1.26 0.36 121.20 119.22 1a5q s ILE 106 Ca 0.46 -0.80 0.01 0.00 -0.26 0.00 0.00 60.65 60.05 1a5q s ILE 106 Cb -0.27 -2.94 0.04 0.00 1.25 0.00 0.00 42.46 40.54 1a5q s ILE 106 CO 0.34 0.22 -0.14 -0.63 0.24 0.00 0.00 174.94 174.97 1a5q s ILE 107 N -1.24 1.83 0.14 8.37 1.01 0.52 -1.69 121.20 130.13 1a5q s ILE 107 Ca 0.24 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 59.94 1a5q s ILE 107 Cb -0.12 -1.81 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1a5q s ILE 107 CO 0.16 0.29 -0.19 0.68 0.00 0.00 0.00 174.94 175.88 1a5q s VAL 108 N 1.34 1.74 -0.09 2.92 -7.23 -0.85 -0.26 120.40 117.96 1a5q s VAL 108 Ca 0.00 -1.77 -0.16 0.00 -1.81 0.00 0.00 61.98 58.24 1a5q s VAL 108 Cb -0.15 -1.72 -0.05 0.00 0.56 0.00 0.00 36.38 35.02 1a5q s VAL 108 CO -0.09 -0.24 0.41 0.00 -0.31 0.00 0.00 175.10 174.86 1a5q s ALA 109 N -1.76 3.57 0.13 1.32 0.00 -0.15 -0.75 121.76 124.12 1a5q s ALA 109 Ca 0.12 -0.27 0.06 0.00 0.00 0.00 0.00 51.96 51.87 1a5q s ALA 109 Cb -0.07 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.51 1a5q s ALA 109 CO 0.05 0.17 -0.03 0.00 0.00 0.00 0.00 175.76 175.95 1a5q s GLU 111 N -2.52 1.27 2.41 0.00 2.02 -0.71 -4.88 118.70 116.30 1a5q s GLU 111 Ca 0.25 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.50 1a5q s GLU 111 Cb -0.11 0.52 0.00 0.00 0.10 0.00 0.00 34.13 34.65 1a5q s GLU 111 CO 0.17 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.33 1a5q n GLY 112 N -0.32 -0.20 2.93 -1.39 0.00 -1.26 -3.01 105.19 101.94 1a5q n GLY 112 Ca -0.13 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 1a5q n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a5q s ASN 113 N -4.00 2.25 0.75 1.61 2.47 -1.26 -2.58 114.94 114.18 1a5q s ASN 113 Ca 0.00 -0.33 -0.12 0.00 0.42 0.00 0.00 52.86 52.83 1a5q s ASN 113 Cb 0.00 -0.90 0.04 0.00 -1.45 0.00 0.00 41.25 38.94 1a5q s ASN 113 CO 0.00 -0.10 1.12 -2.16 -3.72 0.00 0.00 177.10 172.24 1a5q s PRO 114 N 1.63 2.52 -0.65 0.43 0.04 -1.26 -5.02 135.00 132.69 1a5q s PRO 114 Ca 0.04 0.38 -0.26 0.00 0.04 0.00 0.00 61.00 61.21 1a5q s PRO 114 Cb -0.13 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1a5q s PRO 114 CO -0.08 -1.26 2.30 -0.47 0.04 0.00 0.00 177.00 177.53 1a5q s TYR 115 N -3.40 1.23 0.19 0.56 5.04 -1.06 -4.81 117.35 115.10 1a5q s TYR 115 Ca 0.60 1.54 0.11 0.00 -2.44 0.00 0.00 57.07 56.87 1a5q s TYR 115 Cb -0.11 -3.63 -0.04 0.00 0.35 0.00 0.00 41.96 38.52 1a5q s TYR 115 CO 0.51 -2.09 -0.23 0.14 -1.34 0.00 0.00 175.55 172.55 1a5q s VAL 116 N 12.57 2.25 0.21 3.14 -7.23 -1.16 -4.85 120.40 125.32 1a5q s VAL 116 Ca 0.89 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.75 1a5q s VAL 116 Cb -0.14 -2.06 -0.11 0.00 0.56 0.00 0.00 36.38 34.63 1a5q s VAL 116 CO 0.16 -0.15 1.57 -2.16 -0.31 0.00 0.00 175.10 174.21 1a5q s PRO 117 N -2.68 4.19 0.00 4.82 0.04 -1.26 -1.75 135.00 138.37 1a5q s PRO 117 Ca 0.20 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.66 1a5q s PRO 117 Cb -0.08 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1a5q s PRO 117 CO 0.09 -0.60 0.31 1.55 0.04 0.00 0.00 177.00 178.40 1a5q n VAL 118 N 3.30 0.00 -3.64 -0.36 3.14 0.78 -4.67 118.33 116.89 1a5q n VAL 118 Ca 0.12 -0.38 -0.10 0.00 -2.96 0.00 0.00 64.34 61.01 1a5q n VAL 118 Cb 0.38 1.19 -0.07 0.00 -1.06 0.00 0.00 33.84 34.28 1a5q n VAL 118 CO 0.00 0.00 0.00 -2.28 -6.46 0.00 0.00 176.83 168.09 1a5q s HIS 119 N -0.15 -0.54 -0.58 1.45 5.65 -1.19 -4.76 115.29 115.18 1a5q s HIS 119 Ca 0.00 1.30 -0.20 0.00 0.25 0.00 0.00 55.06 56.41 1a5q s HIS 119 Cb 0.00 0.35 0.08 0.00 -1.18 0.00 0.00 32.58 31.83 1a5q s HIS 119 CO 0.00 -0.26 0.76 0.12 -0.65 0.00 0.00 174.74 174.71 1a5q s PHE 120 N 0.30 2.92 0.05 3.88 2.19 -1.26 -0.98 117.98 125.07 1a5q s PHE 120 Ca 0.02 -0.70 -0.18 0.00 0.33 0.00 0.00 56.93 56.41 1a5q s PHE 120 Cb -0.05 -3.96 -0.17 0.00 -1.31 0.00 0.00 43.02 37.53 1a5q s PHE 120 CO -0.05 -1.31 1.25 0.22 1.83 0.00 0.00 175.22 177.16 1a5q h ASP 121 N 9.23 0.61 0.00 6.13 3.58 -0.96 -3.48 116.42 131.53 1a5q h ASP 121 Ca -0.29 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.55 1a5q h ASP 121 Cb 1.08 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.95 1a5q h ASP 121 CO 1.08 1.13 0.00 0.00 -2.88 0.00 0.00 179.24 178.57 1a5q n ALA 122 N -2.53 0.00 -2.40 -0.78 0.00 -0.63 -4.91 120.51 109.25 1a5q n ALA 122 Ca -0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1a5q n ALA 122 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 1a5q n ALA 122 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a5q s SER 123 N 0.00 1.43 0.00 0.00 1.04 -1.26 0.19 113.70 115.10 1a5q s SER 123 Ca 0.00 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1a5q s SER 123 Cb 0.00 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1a5q s SER 123 CO 0.00 -0.31 0.00 0.55 0.98 0.00 0.00 173.24 174.46