#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7rsa n GLU 2 N 0.00 2.31 -1.78 1.64 2.13 -1.26 -4.97 120.64 118.71 7rsa n GLU 2 Ca 0.00 0.82 -0.31 0.00 0.66 0.00 0.00 57.16 58.33 7rsa n GLU 2 Cb 0.00 -2.53 0.02 0.00 0.27 0.00 0.00 31.44 29.20 7rsa n GLU 2 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 7rsa s THR 3 N -0.02 4.40 0.29 6.31 -4.23 -1.26 -4.88 115.64 116.25 7rsa s THR 3 Ca 0.67 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.97 7rsa s THR 3 Cb -0.59 -3.66 0.16 0.00 1.34 0.00 0.00 72.50 69.76 7rsa s THR 3 CO 0.49 -0.99 1.84 0.00 -0.54 0.00 0.00 174.62 175.42 7rsa h ALA 4 N -0.40 1.24 -0.47 3.99 0.00 -1.94 -0.50 119.26 121.19 7rsa h ALA 4 Ca -0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 7rsa h ALA 4 Cb 1.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 7rsa h ALA 4 CO 0.60 0.53 0.21 0.00 0.00 0.00 0.00 179.25 180.59 7rsa h ALA 5 N 1.37 0.60 -0.56 0.00 0.00 -1.89 -1.11 119.26 117.68 7rsa h ALA 5 Ca 0.18 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 7rsa h ALA 5 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 7rsa h ALA 5 CO -0.01 0.18 -0.07 0.00 0.00 0.00 0.00 179.25 179.36 7rsa h ALA 6 N 1.06 0.76 -0.88 0.00 0.00 -1.80 -2.53 119.26 115.87 7rsa h ALA 6 Ca 0.16 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 7rsa h ALA 6 Cb 0.14 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 7rsa h ALA 6 CO -0.02 0.65 0.56 -0.22 0.00 0.00 0.00 179.25 180.22 7rsa h LYS 7 N 0.92 1.17 -0.34 0.00 3.64 -0.87 -1.29 116.57 119.80 7rsa h LYS 7 Ca 0.15 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 7rsa h LYS 7 Cb 0.63 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 7rsa h LYS 7 CO 0.04 0.80 0.22 0.35 -2.27 0.00 0.00 179.45 178.59 7rsa h PHE 8 N 1.20 0.43 -0.31 1.91 3.57 -0.90 0.12 116.94 122.95 7rsa h PHE 8 Ca 0.32 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.85 7rsa h PHE 8 Cb -0.10 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.47 7rsa h PHE 8 CO -0.01 0.28 0.14 0.93 -2.23 0.00 0.00 178.31 177.42 7rsa h GLU 9 N 0.46 0.30 -0.53 1.11 5.08 -1.09 -0.11 114.58 119.79 7rsa h GLU 9 Ca 0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 7rsa h GLU 9 Cb -0.04 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 7rsa h GLU 9 CO -0.03 0.20 0.25 -0.09 -1.00 0.00 0.00 179.01 178.34 7rsa h ARG 10 N 0.30 0.77 0.00 2.33 2.43 -0.87 -1.72 114.38 117.63 7rsa h ARG 10 Ca 0.13 -0.12 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 7rsa h ARG 10 Cb 0.06 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 7rsa h ARG 10 CO -0.10 0.64 -0.95 0.37 -1.51 0.00 0.00 179.97 178.42 7rsa h GLN 11 N 0.72 0.01 0.00 0.20 4.15 -0.88 -3.42 115.11 115.89 7rsa h GLN 11 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.59 7rsa h GLN 11 Cb 0.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.82 7rsa h GLN 11 CO -0.02 0.95 -0.73 0.72 -1.93 0.00 0.00 178.83 177.81 7rsa n HIS 12 N -3.42 0.00 -3.62 3.99 8.25 -0.06 -4.72 115.22 115.64 7rsa n HIS 12 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 7rsa n HIS 12 Cb 0.89 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.94 7rsa n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 7rsa s MET 13 N -1.60 4.02 -0.42 -0.41 -1.94 -0.65 0.32 119.30 118.62 7rsa s MET 13 Ca 0.00 0.07 0.04 0.00 -1.71 0.00 0.00 55.69 54.09 7rsa s MET 13 Cb 0.00 -3.34 0.17 0.00 2.01 0.00 0.00 34.83 33.67 7rsa s MET 13 CO 0.00 0.44 0.37 0.34 -0.01 0.00 0.00 175.02 176.16 7rsa s ASP 14 N -0.12 1.17 0.00 3.03 2.15 -0.04 -4.85 116.67 118.00 7rsa s ASP 14 Ca 0.17 -2.89 0.24 0.00 0.43 0.00 0.00 52.55 50.49 7rsa s ASP 14 Cb -0.13 -0.19 1.09 0.00 -0.30 0.00 0.00 42.92 43.39 7rsa s ASP 14 CO 0.05 -0.16 1.77 -1.20 -0.17 0.00 0.00 175.17 175.46 7rsa n SER 15 N 2.91 0.00 0.07 -0.34 7.64 -1.26 -3.49 113.62 119.15 7rsa n SER 15 Ca 0.28 0.28 0.13 0.00 1.01 0.00 0.00 58.87 60.57 7rsa n SER 15 Cb 0.48 -0.41 0.42 0.00 -1.01 0.00 0.00 64.21 63.69 7rsa n SER 15 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 7rsa n SER 16 N -1.41 0.59 -4.07 6.43 3.41 -1.26 -4.83 113.62 112.47 7rsa n SER 16 Ca 0.08 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 7rsa n SER 16 Cb 0.24 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 63.53 7rsa n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 7rsa s THR 17 N -3.08 0.57 -0.33 6.66 -4.23 -1.23 -5.05 115.64 108.95 7rsa s THR 17 Ca 0.11 -1.14 0.21 0.00 -1.18 0.00 0.00 61.69 59.70 7rsa s THR 17 Cb 0.14 -0.68 0.20 0.00 1.34 0.00 0.00 72.50 73.50 7rsa s THR 17 CO 0.60 -0.40 1.42 0.28 -0.54 0.00 0.00 174.62 175.98 7rsa h SER 18 N 4.41 0.00 -4.88 3.99 0.02 -1.87 -3.44 113.55 111.78 7rsa h SER 18 Ca -0.36 0.00 0.27 0.00 -0.84 0.00 0.00 61.79 60.86 7rsa h SER 18 Cb 1.20 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.58 7rsa h SER 18 CO 0.42 0.11 0.79 0.00 -1.14 0.00 0.00 176.83 177.01 7rsa s ALA 19 N -3.19 -2.11 0.21 3.77 0.00 -1.26 -4.84 121.76 114.34 7rsa s ALA 19 Ca 0.04 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 52.88 7rsa s ALA 19 Cb 0.07 0.11 -0.09 0.00 0.00 0.00 0.00 23.12 23.21 7rsa s ALA 19 CO 0.72 -0.79 1.38 0.00 0.00 0.00 0.00 175.76 177.06 7rsa s ALA 20 N -2.48 3.58 -1.29 0.00 0.00 -1.26 -4.93 121.76 115.38 7rsa s ALA 20 Ca 0.11 1.21 0.21 0.00 0.00 0.00 0.00 51.96 53.50 7rsa s ALA 20 Cb 0.01 -3.52 -0.17 0.00 0.00 0.00 0.00 23.12 19.44 7rsa s ALA 20 CO -0.04 -0.64 0.95 -1.13 0.00 0.00 0.00 175.76 174.90 7rsa n SER 21 N 2.66 1.29 -3.80 0.00 3.41 -1.26 -5.01 113.62 110.92 7rsa n SER 21 Ca 0.07 -1.15 -0.08 0.00 -0.26 0.00 0.00 58.87 57.45 7rsa n SER 21 Cb 0.41 0.85 -0.03 0.00 -0.26 0.00 0.00 64.21 65.19 7rsa n SER 21 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 7rsa s SER 22 N -2.85 -0.29 0.38 4.04 1.04 -1.26 -5.03 113.70 109.74 7rsa s SER 22 Ca 0.11 -0.54 0.27 0.00 0.48 0.00 0.00 55.95 56.27 7rsa s SER 22 Cb 0.17 0.68 1.34 0.00 0.10 0.00 0.00 66.02 68.30 7rsa s SER 22 CO 0.78 -1.23 1.82 0.77 0.98 0.00 0.00 173.24 176.36 7rsa h SER 23 N 2.05 0.00 0.19 7.02 4.64 -1.94 -2.45 113.55 123.06 7rsa h SER 23 Ca -0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 7rsa h SER 23 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 7rsa h SER 23 CO 0.28 0.00 -0.13 0.59 -0.87 0.00 0.00 176.83 176.70 7rsa n ASN 24 N -2.47 0.93 -0.05 4.97 3.02 -1.26 -4.43 115.26 115.98 7rsa n ASN 24 Ca -0.00 -0.97 -0.09 0.00 -0.03 0.00 0.00 54.58 53.49 7rsa n ASN 24 Cb 0.12 0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.30 7rsa n ASN 24 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 7rsa h TYR 25 N 1.25 -0.87 -0.37 3.10 3.20 -1.84 -1.51 116.97 119.94 7rsa h TYR 25 Ca 0.00 0.05 0.02 0.00 3.14 0.00 0.00 58.73 61.93 7rsa h TYR 25 Cb 0.43 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.09 7rsa h TYR 25 CO 0.00 -0.38 0.22 0.00 -1.64 0.00 0.00 178.16 176.36 7rsa h ASN 27 N 0.44 0.12 -0.13 0.00 2.35 -1.72 -0.10 115.58 116.55 7rsa h ASN 27 Ca 0.15 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.95 7rsa h ASN 27 Cb 0.00 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.44 7rsa h ASN 27 CO -0.07 0.09 0.01 1.56 -1.65 0.00 0.00 177.43 177.38 7rsa h GLN 28 N 0.31 0.21 -0.18 0.81 4.20 -1.00 -3.10 115.11 116.36 7rsa h GLN 28 Ca 0.24 -0.06 -0.19 0.00 0.06 0.00 0.00 58.65 58.70 7rsa h GLN 28 Cb 0.28 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.04 7rsa h GLN 28 CO -0.27 0.43 -0.65 0.52 -0.67 0.00 0.00 178.83 178.19 7rsa h MET 29 N -0.03 0.67 -0.78 1.46 2.86 -0.81 -0.54 114.93 117.75 7rsa h MET 29 Ca 0.04 -0.48 -0.01 0.00 -2.06 0.00 0.00 59.70 57.19 7rsa h MET 29 Cb 0.33 0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.03 7rsa h MET 29 CO 0.00 1.10 0.44 0.52 1.06 0.00 0.00 176.91 180.03 7rsa h MET 30 N 0.49 1.07 -0.00 1.72 2.86 -1.12 -1.32 114.93 118.62 7rsa h MET 30 Ca -0.02 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 7rsa h MET 30 Cb 1.24 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.68 7rsa h MET 30 CO 0.13 0.77 -0.00 -0.22 1.06 0.00 0.00 176.91 178.65 7rsa h LYS 31 N 1.08 0.00 -0.24 1.72 3.64 -1.44 -0.93 116.57 120.40 7rsa h LYS 31 Ca 0.28 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.64 7rsa h LYS 31 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 7rsa h LYS 31 CO -0.05 0.66 0.09 0.77 -2.27 0.00 0.00 179.45 178.66 7rsa h SER 32 N -0.65 0.30 -0.09 4.20 0.02 -0.95 -1.57 113.55 114.80 7rsa h SER 32 Ca -0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 7rsa h SER 32 Cb 0.66 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.13 7rsa h SER 32 CO 0.00 0.28 0.00 0.54 -1.14 0.00 0.00 176.83 176.51 7rsa n ARG 33 N -4.43 1.40 -2.17 3.45 5.12 -0.51 -4.91 116.66 114.60 7rsa n ARG 33 Ca 0.01 -0.60 -0.13 0.00 -1.93 0.00 0.00 57.85 55.20 7rsa n ARG 33 Cb 0.12 -1.34 -0.01 0.00 -1.16 0.00 0.00 32.46 30.08 7rsa n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 7rsa n ASN 34 N -0.17 -4.09 0.11 0.55 5.03 -0.59 -4.86 115.26 111.24 7rsa n ASN 34 Ca 0.15 0.02 0.13 0.00 0.87 0.00 0.00 54.58 55.74 7rsa n ASN 34 Cb 0.21 -3.23 0.29 0.00 -1.02 0.00 0.00 39.78 36.02 7rsa n ASN 34 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 7rsa h LEU 35 N 0.00 0.00 -3.18 3.41 3.38 -1.36 -3.30 115.31 114.25 7rsa h LEU 35 Ca -0.30 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.61 7rsa h LEU 35 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 7rsa h LEU 35 CO 0.36 0.03 0.00 0.35 0.09 0.00 0.00 178.44 179.27 7rsa n THR 36 N -2.36 2.10 0.00 0.22 -2.24 -1.21 -3.92 114.28 106.88 7rsa n THR 36 Ca 0.04 -1.85 -0.13 0.00 -2.27 0.00 0.00 64.05 59.84 7rsa n THR 36 Cb 0.45 -0.18 -0.09 0.00 -2.10 0.00 0.00 70.33 68.42 7rsa n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 7rsa h LYS 37 N 1.51 0.00 0.00 -0.78 3.64 -1.90 -3.34 116.57 115.70 7rsa h LYS 37 Ca 0.00 -0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 7rsa h LYS 37 Cb 1.30 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 33.06 7rsa h LYS 37 CO 0.17 0.35 -1.94 -0.25 -2.27 0.00 0.00 179.45 175.50 7rsa n ASP 38 N -4.92 0.56 -3.61 4.20 10.43 -1.26 -5.03 116.55 116.91 7rsa n ASP 38 Ca -0.08 0.26 -0.06 0.00 2.57 0.00 0.00 54.79 57.48 7rsa n ASP 38 Cb 0.19 0.34 -0.02 0.00 1.84 0.00 0.00 41.12 43.47 7rsa n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 7rsa s ARG 39 N -2.58 0.97 -0.29 -1.24 1.70 -1.25 -5.11 118.95 111.14 7rsa s ARG 39 Ca -0.06 -0.45 -0.29 0.00 -0.47 0.00 0.00 55.73 54.46 7rsa s ARG 39 Cb 0.07 0.39 0.01 0.00 -0.57 0.00 0.00 34.95 34.86 7rsa s ARG 39 CO 0.83 -0.44 1.11 0.00 -1.08 0.00 0.00 175.30 175.72 7rsa s LYS 41 N 3.63 4.27 0.31 0.00 2.20 -1.25 -4.93 119.74 123.97 7rsa s LYS 41 Ca 0.47 2.10 0.05 0.00 -0.36 0.00 0.00 55.97 58.23 7rsa s LYS 41 Cb -0.14 -3.45 0.50 0.00 -1.51 0.00 0.00 37.83 33.23 7rsa s LYS 41 CO 0.15 -0.56 1.76 -1.00 -0.36 0.00 0.00 175.35 175.33 7rsa h PRO 42 N 7.54 0.37 -3.42 4.03 0.13 -1.95 -3.45 132.00 135.26 7rsa h PRO 42 Ca -0.40 -0.14 -0.15 0.00 -0.87 0.00 0.00 66.00 64.44 7rsa h PRO 42 Cb 1.19 -0.02 -0.22 0.00 0.13 0.00 0.00 31.00 32.08 7rsa h PRO 42 CO 0.90 0.61 -0.48 0.14 -0.23 0.00 0.00 178.00 178.94 7rsa s VAL 43 N -4.46 0.06 0.03 1.56 -7.23 -1.26 -1.19 120.40 107.90 7rsa s VAL 43 Ca -0.06 -0.51 -0.27 0.00 -1.81 0.00 0.00 61.98 59.33 7rsa s VAL 43 Cb 0.14 -0.41 0.07 0.00 0.56 0.00 0.00 36.38 36.74 7rsa s VAL 43 CO 0.77 -0.28 0.62 0.21 -0.31 0.00 0.00 175.10 176.12 7rsa s ASN 44 N -1.03 -0.59 -0.07 4.85 2.47 -0.49 -5.02 114.94 115.06 7rsa s ASN 44 Ca -0.11 0.42 0.03 0.00 0.42 0.00 0.00 52.86 53.62 7rsa s ASN 44 Cb -0.06 0.54 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 7rsa s ASN 44 CO 0.01 -0.73 -0.18 -0.89 -3.72 0.00 0.00 177.10 171.60 7rsa s THR 45 N -2.12 1.55 -0.08 -5.21 2.01 -1.26 -0.52 115.64 110.00 7rsa s THR 45 Ca -0.07 -0.74 -0.02 0.00 0.31 0.00 0.00 61.69 61.17 7rsa s THR 45 Cb -0.00 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 7rsa s THR 45 CO 0.01 0.45 0.01 -0.36 -0.69 0.00 0.00 174.62 174.04 7rsa s PHE 46 N 0.37 3.19 -0.18 4.92 0.08 -0.26 -4.41 117.98 121.69 7rsa s PHE 46 Ca -0.13 0.22 -0.03 0.00 0.12 0.00 0.00 56.93 57.10 7rsa s PHE 46 Cb -0.15 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 7rsa s PHE 46 CO 0.05 0.49 -0.05 0.08 -0.10 0.00 0.00 175.22 175.69 7rsa s VAL 47 N -0.91 3.54 -1.05 -0.44 1.01 0.15 -0.80 120.40 121.91 7rsa s VAL 47 Ca 0.14 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.64 7rsa s VAL 47 Cb -0.11 -2.57 0.31 0.00 0.00 0.00 0.00 36.38 34.01 7rsa s VAL 47 CO 0.03 0.46 1.82 1.41 0.00 0.00 0.00 175.10 178.82 7rsa n HIS 48 N 4.09 2.71 -4.15 5.22 -0.00 0.25 -0.86 115.22 122.48 7rsa n HIS 48 Ca -0.18 -2.57 -0.10 0.00 -0.00 0.00 0.00 57.72 54.87 7rsa n HIS 48 Cb 0.52 -1.23 -0.10 0.00 -0.00 0.00 0.00 29.99 29.18 7rsa n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 7rsa s GLU 49 N -4.04 0.93 0.57 -0.41 0.41 -1.26 -4.59 118.70 110.30 7rsa s GLU 49 Ca 0.39 -1.44 -0.20 0.00 -0.41 0.00 0.00 54.97 53.31 7rsa s GLU 49 Cb 0.17 0.24 -0.04 0.00 -1.78 0.00 0.00 34.13 32.73 7rsa s GLU 49 CO -0.10 -0.26 1.25 0.45 -0.49 0.00 0.00 175.26 176.11 7rsa s SER 50 N -3.05 5.29 0.22 -0.19 0.15 -1.26 -4.14 113.70 110.71 7rsa s SER 50 Ca 0.24 2.51 -0.09 0.00 0.70 0.00 0.00 55.95 59.31 7rsa s SER 50 Cb 0.07 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.94 7rsa s SER 50 CO 0.02 -1.54 1.87 0.25 1.20 0.00 0.00 173.24 175.04 7rsa h LEU 51 N 1.18 0.95 -0.91 3.45 5.85 -1.97 -2.44 115.31 121.42 7rsa h LEU 51 Ca -0.50 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.22 7rsa h LEU 51 Cb 1.30 -0.24 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 7rsa h LEU 51 CO 0.56 0.73 0.57 0.00 -0.34 0.00 0.00 178.44 179.96 7rsa h ALA 52 N 1.27 1.24 -0.62 1.25 0.00 -1.99 0.12 119.26 120.53 7rsa h ALA 52 Ca 0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 7rsa h ALA 52 Cb -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 7rsa h ALA 52 CO -0.06 0.35 0.22 -0.44 0.00 0.00 0.00 179.25 179.33 7rsa h ASP 53 N 1.06 0.85 -0.06 0.00 3.32 -1.83 -0.90 116.42 118.86 7rsa h ASP 53 Ca 0.39 -0.13 -0.21 0.00 0.02 0.00 0.00 57.03 57.10 7rsa h ASP 53 Cb 0.14 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.48 7rsa h ASP 53 CO -0.16 0.78 -0.80 0.58 -1.72 0.00 0.00 179.24 177.92 7rsa h VAL 54 N 0.90 1.32 -0.64 -1.35 2.07 -0.95 -3.21 116.25 114.40 7rsa h VAL 54 Ca 0.21 -2.07 0.03 0.00 0.82 0.00 0.00 66.70 65.69 7rsa h VAL 54 Cb 0.21 2.29 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 7rsa h VAL 54 CO -0.01 0.63 0.42 1.56 0.02 0.00 0.00 177.57 180.19 7rsa h GLN 55 N 0.29 0.75 0.00 1.57 4.20 -0.60 -2.13 115.11 119.18 7rsa h GLN 55 Ca -0.08 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.58 7rsa h GLN 55 Cb 1.46 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 7rsa h GLN 55 CO 0.16 0.49 -0.00 0.00 -0.67 0.00 0.00 178.83 178.81 7rsa h ALA 56 N 1.63 1.23 -0.11 3.87 0.00 -1.16 -2.34 119.26 122.38 7rsa h ALA 56 Ca 0.25 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.19 7rsa h ALA 56 Cb 0.05 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 7rsa h ALA 56 CO -0.07 0.01 0.09 0.28 0.00 0.00 0.00 179.25 179.56 7rsa h VAL 57 N 0.00 0.70 0.00 0.00 2.07 -1.44 -1.62 116.25 115.96 7rsa h VAL 57 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 7rsa h VAL 57 Cb 0.02 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 7rsa h VAL 57 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 7rsa n SER 59 N -1.90 3.26 0.00 0.00 3.41 -0.61 -5.01 113.62 112.78 7rsa n SER 59 Ca 0.00 -3.00 0.00 0.00 -0.26 0.00 0.00 58.87 55.61 7rsa n SER 59 Cb 0.06 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 7rsa n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 7rsa n GLN 60 N -0.83 3.08 -2.46 4.33 6.02 -0.31 -5.02 117.38 122.19 7rsa n GLN 60 Ca 0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.75 7rsa n GLN 60 Cb 0.78 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 32.02 7rsa n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 7rsa s LYS 61 N 4.87 3.88 0.16 -1.09 2.47 -1.03 -4.87 119.74 124.13 7rsa s LYS 61 Ca 0.00 1.13 -0.30 0.00 -1.56 0.00 0.00 55.97 55.23 7rsa s LYS 61 Cb 0.00 -3.88 -0.08 0.00 -1.46 0.00 0.00 37.83 32.41 7rsa s LYS 61 CO 0.00 -1.16 1.29 1.21 0.16 0.00 0.00 175.35 176.85 7rsa s ASN 62 N 2.71 6.95 0.03 1.43 3.84 -1.26 -0.44 114.94 128.20 7rsa s ASN 62 Ca 0.54 2.29 -0.12 0.00 0.21 0.00 0.00 52.86 55.79 7rsa s ASN 62 Cb -0.15 -2.60 0.01 0.00 -0.55 0.00 0.00 41.25 37.97 7rsa s ASN 62 CO 0.24 -0.52 0.26 0.68 -2.79 0.00 0.00 177.10 174.97 7rsa s VAL 63 N 0.44 0.09 0.24 -5.21 -7.23 -0.47 -4.90 120.40 103.36 7rsa s VAL 63 Ca 0.58 -0.73 -0.30 0.00 -1.81 0.00 0.00 61.98 59.73 7rsa s VAL 63 Cb -0.35 -0.86 -0.09 0.00 0.56 0.00 0.00 36.38 35.65 7rsa s VAL 63 CO 0.35 -0.40 1.18 0.00 -0.31 0.00 0.00 175.10 175.92 7rsa s ALA 64 N -2.32 3.44 0.92 1.32 0.00 -1.26 -2.97 121.76 120.88 7rsa s ALA 64 Ca -0.07 0.98 -0.12 0.00 0.00 0.00 0.00 51.96 52.76 7rsa s ALA 64 Cb -0.02 -3.39 0.14 0.00 0.00 0.00 0.00 23.12 19.85 7rsa s ALA 64 CO -0.02 -0.34 1.09 0.00 0.00 0.00 0.00 175.76 176.49 7rsa h LYS 66 N -1.63 0.55 -0.04 0.00 1.57 -1.91 -0.48 116.57 114.63 7rsa h LYS 66 Ca -0.50 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 7rsa h LYS 66 Cb 1.29 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.47 7rsa h LYS 66 CO 0.54 0.37 0.00 0.09 -0.57 0.00 0.00 179.45 179.88 7rsa n ASN 67 N -4.49 0.84 0.00 0.86 3.02 -1.26 -4.92 115.26 109.31 7rsa n ASN 67 Ca 0.11 -1.39 0.00 0.00 -0.03 0.00 0.00 54.58 53.27 7rsa n ASN 67 Cb 0.35 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 7rsa n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7rsa n GLY 68 N 1.05 1.77 3.72 7.41 0.00 -0.19 -5.07 105.19 113.87 7rsa n GLY 68 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 7rsa n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 7rsa s GLN 69 N -0.98 2.03 -0.14 1.61 -0.21 -1.26 -4.63 119.66 116.08 7rsa s GLN 69 Ca 0.00 1.79 0.15 0.00 0.02 0.00 0.00 55.36 57.33 7rsa s GLN 69 Cb 0.00 -1.82 0.55 0.00 1.00 0.00 0.00 33.01 32.74 7rsa s GLN 69 CO 0.00 -1.93 1.46 0.25 -2.12 0.00 0.00 175.29 172.95 7rsa n THR 70 N -2.81 2.00 -1.04 -0.19 -2.24 -1.26 -0.33 114.28 108.40 7rsa n THR 70 Ca 0.14 -1.52 -0.10 0.00 -2.27 0.00 0.00 64.05 60.29 7rsa n THR 70 Cb 0.50 -0.03 0.28 0.00 -2.10 0.00 0.00 70.33 68.97 7rsa n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 7rsa n ASN 71 N 0.12 4.60 -4.94 3.42 6.94 -1.26 -4.75 115.26 119.39 7rsa n ASN 71 Ca 0.21 -3.28 -0.27 0.00 -0.02 0.00 0.00 54.58 51.22 7rsa n ASN 71 Cb 0.83 -0.77 -0.03 0.00 -2.36 0.00 0.00 39.78 37.45 7rsa n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 7rsa s TYR 73 N -1.80 -0.00 -0.15 0.00 2.02 0.24 -1.37 117.35 116.29 7rsa s TYR 73 Ca 0.36 0.07 -0.05 0.00 -0.37 0.00 0.00 57.07 57.08 7rsa s TYR 73 Cb -0.11 -0.08 -0.04 0.00 -0.40 0.00 0.00 41.96 41.34 7rsa s TYR 73 CO 0.29 -0.04 0.03 -1.14 -1.57 0.00 0.00 175.55 173.12 7rsa s GLN 74 N 0.37 3.61 0.43 -0.62 0.74 0.41 -1.41 119.66 123.20 7rsa s GLN 74 Ca -0.03 -0.38 -0.24 0.00 0.05 0.00 0.00 55.36 54.76 7rsa s GLN 74 Cb -0.04 -3.04 -0.08 0.00 1.10 0.00 0.00 33.01 30.95 7rsa s GLN 74 CO -0.01 0.43 1.19 -1.54 -0.55 0.00 0.00 175.29 174.81 7rsa s SER 75 N -0.09 6.29 0.22 6.67 1.04 -0.07 -2.47 113.70 125.29 7rsa s SER 75 Ca 0.05 2.38 -0.03 0.00 0.48 0.00 0.00 55.95 58.83 7rsa s SER 75 Cb -0.12 -2.61 0.21 0.00 0.10 0.00 0.00 66.02 63.60 7rsa s SER 75 CO 0.02 -0.84 1.62 1.88 0.98 0.00 0.00 173.24 176.89 7rsa h TYR 76 N 2.33 0.77 -2.22 5.02 0.05 -1.95 -3.44 116.97 117.53 7rsa h TYR 76 Ca -0.49 -0.19 -0.49 0.00 0.05 0.00 0.00 58.73 57.60 7rsa h TYR 76 Cb 1.24 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 7rsa h TYR 76 CO 0.54 0.89 -0.49 -1.12 -1.05 0.00 0.00 178.16 176.93 7rsa s SER 77 N -6.81 5.82 0.51 3.88 0.01 -1.26 -5.08 113.70 110.77 7rsa s SER 77 Ca -0.08 -0.12 -0.17 0.00 1.31 0.00 0.00 55.95 56.88 7rsa s SER 77 Cb 0.13 -1.58 -0.08 0.00 0.21 0.00 0.00 66.02 64.70 7rsa s SER 77 CO 0.83 -0.04 0.99 0.42 0.41 0.00 0.00 173.24 175.84 7rsa s THR 78 N -2.06 4.45 0.11 1.44 -4.23 -1.26 -4.51 115.64 109.58 7rsa s THR 78 Ca 0.33 1.23 0.05 0.00 -1.18 0.00 0.00 61.69 62.13 7rsa s THR 78 Cb -0.08 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.04 7rsa s THR 78 CO 0.26 -0.62 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.55 7rsa s MET 79 N -3.93 0.96 -0.18 3.99 -1.94 0.94 -4.86 119.30 114.27 7rsa s MET 79 Ca 0.60 -1.17 -0.29 0.00 -1.71 0.00 0.00 55.69 53.12 7rsa s MET 79 Cb -0.10 -0.85 -0.00 0.00 2.01 0.00 0.00 34.83 35.89 7rsa s MET 79 CO 0.29 0.16 1.14 0.45 -0.01 0.00 0.00 175.02 177.05 7rsa s SER 80 N -2.30 7.04 0.14 3.03 0.15 -1.26 -1.62 113.70 118.88 7rsa s SER 80 Ca 0.06 1.55 0.05 0.00 0.70 0.00 0.00 55.95 58.30 7rsa s SER 80 Cb -0.06 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.67 7rsa s SER 80 CO 0.02 -0.69 -0.11 0.27 1.20 0.00 0.00 173.24 173.94 7rsa s ILE 81 N 3.19 1.17 -0.12 6.45 -4.36 -0.34 -0.58 121.20 126.62 7rsa s ILE 81 Ca 0.49 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 58.92 7rsa s ILE 81 Cb -0.19 -1.77 0.01 0.00 1.25 0.00 0.00 42.46 41.76 7rsa s ILE 81 CO 0.11 -0.70 -0.18 -0.89 0.24 0.00 0.00 174.94 173.52 7rsa s THR 82 N -3.12 1.74 -0.17 8.37 2.01 0.02 -1.18 115.64 123.30 7rsa s THR 82 Ca 0.15 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.25 7rsa s THR 82 Cb 0.01 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 7rsa s THR 82 CO 0.01 0.49 0.18 -0.62 -0.69 0.00 0.00 174.62 173.98 7rsa s ASP 83 N 0.83 6.31 -0.17 3.53 2.15 0.55 -1.10 116.67 128.77 7rsa s ASP 83 Ca -0.09 0.35 -0.00 0.00 0.43 0.00 0.00 52.55 53.24 7rsa s ASP 83 Cb -0.16 -2.11 -0.00 0.00 -0.30 0.00 0.00 42.92 40.35 7rsa s ASP 83 CO -0.00 0.20 -0.14 0.00 -0.17 0.00 0.00 175.17 175.06 7rsa s ARG 85 N 0.96 1.08 0.31 0.00 3.00 -0.60 -1.39 118.95 122.31 7rsa s ARG 85 Ca -0.02 -0.25 -0.29 0.00 -1.00 0.00 0.00 55.73 54.16 7rsa s ARG 85 Cb -0.15 -0.99 -0.11 0.00 0.00 0.00 0.00 34.95 33.70 7rsa s ARG 85 CO -0.02 0.02 1.55 -2.00 0.00 0.00 0.00 175.30 174.85 7rsa s GLU 86 N 0.58 4.13 0.54 5.12 2.12 -0.34 0.32 118.70 131.18 7rsa s GLU 86 Ca -0.09 2.55 -0.02 0.00 0.36 0.00 0.00 54.97 57.76 7rsa s GLU 86 Cb -0.13 -3.02 0.01 0.00 0.26 0.00 0.00 34.13 31.26 7rsa s GLU 86 CO 0.01 -0.58 0.80 0.95 -0.54 0.00 0.00 175.26 175.90 7rsa s THR 87 N -0.30 3.46 0.46 -1.70 -4.23 -0.50 -4.78 115.64 108.05 7rsa s THR 87 Ca 0.60 -0.34 0.29 0.00 -1.18 0.00 0.00 61.69 61.05 7rsa s THR 87 Cb -0.47 -3.33 0.32 0.00 1.34 0.00 0.00 72.50 70.36 7rsa s THR 87 CO 0.51 -0.28 2.13 1.23 -0.54 0.00 0.00 174.62 177.67 7rsa h GLY 88 N 0.05 0.00 0.21 3.99 0.00 -1.95 -2.00 103.07 103.37 7rsa h GLY 88 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 7rsa h GLY 88 CO 0.58 0.00 -0.11 1.44 0.00 0.00 0.00 176.54 178.45 7rsa n SER 89 N -3.66 0.98 -4.72 0.19 7.64 -1.26 -4.93 113.62 107.86 7rsa n SER 89 Ca -0.02 -1.04 -0.42 0.00 1.01 0.00 0.00 58.87 58.40 7rsa n SER 89 Cb 0.19 0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 7rsa n SER 89 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 7rsa s SER 90 N -2.28 6.58 -0.25 6.43 0.15 -0.75 -4.84 113.70 118.73 7rsa s SER 90 Ca 0.32 2.64 -0.03 0.00 0.70 0.00 0.00 55.95 59.58 7rsa s SER 90 Cb 0.20 -2.60 0.14 0.00 -1.71 0.00 0.00 66.02 62.06 7rsa s SER 90 CO 0.43 -0.83 0.44 -0.75 1.20 0.00 0.00 173.24 173.74 7rsa s LYS 91 N 1.03 0.40 0.21 5.44 2.20 -0.78 -4.88 119.74 123.35 7rsa s LYS 91 Ca 0.70 0.74 -0.32 0.00 -0.36 0.00 0.00 55.97 56.72 7rsa s LYS 91 Cb -0.44 -0.10 -0.15 0.00 -1.51 0.00 0.00 37.83 35.64 7rsa s LYS 91 CO 0.32 -0.57 1.23 0.98 -0.36 0.00 0.00 175.35 176.95 7rsa n TYR 92 N 5.39 1.59 1.78 4.03 9.36 -1.26 0.70 117.16 138.74 7rsa n TYR 92 Ca -0.04 0.60 0.13 0.00 3.32 0.00 0.00 57.90 61.91 7rsa n TYR 92 Cb 0.50 -2.34 0.67 0.00 -0.63 0.00 0.00 39.34 37.55 7rsa n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 7rsa n PRO 93 N 1.75 1.25 -2.73 2.98 -0.04 -1.26 -4.96 135.00 131.98 7rsa n PRO 93 Ca 0.13 -0.37 -0.43 0.00 -0.04 0.00 0.00 63.50 62.79 7rsa n PRO 93 Cb 0.28 -1.43 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 7rsa n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 7rsa n ASN 94 N -0.50 5.58 -4.74 3.54 3.02 0.22 -4.99 115.26 117.39 7rsa n ASN 94 Ca 0.19 -3.18 -0.41 0.00 -0.03 0.00 0.00 54.58 51.15 7rsa n ASN 94 Cb 0.18 -1.42 -0.04 0.00 -0.61 0.00 0.00 39.78 37.90 7rsa n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 7rsa s ALA 96 N -0.39 0.79 0.06 0.00 0.00 -1.26 -4.92 121.76 116.04 7rsa s ALA 96 Ca 0.51 -0.40 0.04 0.00 0.00 0.00 0.00 51.96 52.11 7rsa s ALA 96 Cb -0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 7rsa s ALA 96 CO 0.39 0.18 -0.12 0.71 0.00 0.00 0.00 175.76 176.93 7rsa s TYR 97 N -0.16 1.00 -0.10 0.00 2.02 -1.26 -1.41 117.35 117.44 7rsa s TYR 97 Ca 0.03 -0.48 -0.14 0.00 -0.37 0.00 0.00 57.07 56.11 7rsa s TYR 97 Cb -0.04 -0.57 -0.05 0.00 -0.40 0.00 0.00 41.96 40.90 7rsa s TYR 97 CO -0.00 0.00 0.34 0.21 -1.57 0.00 0.00 175.55 174.53 7rsa s LYS 98 N -1.71 4.06 -0.21 -0.62 2.20 0.15 -4.61 119.74 119.00 7rsa s LYS 98 Ca -0.05 0.23 -0.10 0.00 -0.36 0.00 0.00 55.97 55.69 7rsa s LYS 98 Cb -0.10 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 7rsa s LYS 98 CO 0.01 0.44 0.14 0.99 -0.36 0.00 0.00 175.35 176.58 7rsa s THR 99 N -0.20 5.40 -0.06 3.43 2.01 -1.26 -1.56 115.64 123.39 7rsa s THR 99 Ca 0.20 0.19 0.01 0.00 0.31 0.00 0.00 61.69 62.41 7rsa s THR 99 Cb -0.14 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.90 7rsa s THR 99 CO 0.08 0.42 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.46 7rsa s THR 100 N 0.54 0.85 0.11 -0.82 2.01 -0.36 -4.98 115.64 112.98 7rsa s THR 100 Ca 0.08 -0.28 -0.15 0.00 0.31 0.00 0.00 61.69 61.65 7rsa s THR 100 Cb -0.12 -0.83 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 7rsa s THR 100 CO -0.00 0.30 0.52 -1.10 -0.69 0.00 0.00 174.62 173.65 7rsa s GLN 101 N 0.98 3.99 0.23 4.92 -0.21 -1.26 -0.33 119.66 127.97 7rsa s GLN 101 Ca -0.09 0.49 -0.16 0.00 0.02 0.00 0.00 55.36 55.62 7rsa s GLN 101 Cb -0.15 -3.02 0.01 0.00 1.00 0.00 0.00 33.01 30.86 7rsa s GLN 101 CO 0.00 0.54 0.53 0.00 -2.12 0.00 0.00 175.29 174.23 7rsa s ALA 102 N -1.36 -0.66 -0.25 6.09 0.00 -0.33 -4.96 121.76 120.30 7rsa s ALA 102 Ca 0.34 -0.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 7rsa s ALA 102 Cb -0.16 0.94 0.08 0.00 0.00 0.00 0.00 23.12 23.98 7rsa s ALA 102 CO 0.18 -0.86 0.04 -0.80 0.00 0.00 0.00 175.76 174.33 7rsa s ASN 103 N -2.95 3.52 0.19 0.00 -0.87 -1.26 -1.19 114.94 112.38 7rsa s ASN 103 Ca 0.15 -1.20 -0.07 0.00 -1.57 0.00 0.00 52.86 50.17 7rsa s ASN 103 Cb -0.02 -0.80 -0.02 0.00 -0.02 0.00 0.00 41.25 40.39 7rsa s ASN 103 CO 0.04 -0.34 0.26 -0.54 -2.57 0.00 0.00 177.10 173.95 7rsa s LYS 104 N 1.68 1.24 0.44 -0.60 -0.14 -0.64 -4.79 119.74 116.94 7rsa s LYS 104 Ca 0.02 -1.36 -0.18 0.00 -1.36 0.00 0.00 55.97 53.09 7rsa s LYS 104 Cb -0.17 0.35 -0.10 0.00 -1.68 0.00 0.00 37.83 36.23 7rsa s LYS 104 CO -0.14 -0.45 0.93 -1.01 -0.76 0.00 0.00 175.35 173.91 7rsa s HIS 105 N -4.05 3.37 0.14 3.18 3.76 -1.26 -0.04 115.29 120.39 7rsa s HIS 105 Ca 0.26 1.49 0.08 0.00 -0.15 0.00 0.00 55.06 56.73 7rsa s HIS 105 Cb 0.04 -2.77 -0.04 0.00 1.11 0.00 0.00 32.58 30.91 7rsa s HIS 105 CO 0.06 -0.17 -0.10 0.96 -0.85 0.00 0.00 174.74 174.64 7rsa s ILE 106 N -2.31 3.28 -0.14 0.60 -4.36 -1.26 -1.02 121.20 116.00 7rsa s ILE 106 Ca 0.60 -1.44 0.01 0.00 -0.26 0.00 0.00 60.65 59.55 7rsa s ILE 106 Cb -0.09 -2.57 0.02 0.00 1.25 0.00 0.00 42.46 41.06 7rsa s ILE 106 CO 0.20 0.01 -0.16 -0.63 0.24 0.00 0.00 174.94 174.60 7rsa s ILE 107 N -1.42 1.69 0.16 8.37 1.01 0.36 -0.89 121.20 130.47 7rsa s ILE 107 Ca 0.23 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.23 7rsa s ILE 107 Cb -0.10 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 7rsa s ILE 107 CO 0.14 0.48 -0.17 0.68 0.00 0.00 0.00 174.94 176.07 7rsa s VAL 108 N 1.19 1.73 -0.12 2.92 -7.23 -0.50 -0.11 120.40 118.27 7rsa s VAL 108 Ca -0.01 -1.89 -0.09 0.00 -1.81 0.00 0.00 61.98 58.18 7rsa s VAL 108 Cb -0.14 -1.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.96 7rsa s VAL 108 CO -0.06 -0.34 0.18 0.00 -0.31 0.00 0.00 175.10 174.56 7rsa s ALA 109 N -2.10 3.81 0.10 1.32 0.00 -0.29 -0.60 121.76 124.00 7rsa s ALA 109 Ca 0.15 -0.59 0.10 0.00 0.00 0.00 0.00 51.96 51.62 7rsa s ALA 109 Cb -0.05 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 7rsa s ALA 109 CO 0.06 0.49 -0.24 0.00 0.00 0.00 0.00 175.76 176.07 7rsa s GLU 111 N -1.81 1.25 0.54 0.00 2.02 -0.32 -4.91 118.70 115.47 7rsa s GLU 111 Ca 0.14 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.28 7rsa s GLU 111 Cb -0.10 0.49 0.00 0.00 0.10 0.00 0.00 34.13 34.62 7rsa s GLU 111 CO 0.06 -0.51 0.00 0.41 0.02 0.00 0.00 175.26 175.24 7rsa n GLY 112 N -0.29 -2.24 2.71 -1.39 0.00 -1.26 -2.03 105.19 100.70 7rsa n GLY 112 Ca -0.12 -1.60 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 7rsa n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 7rsa s ASN 113 N -3.24 2.67 0.71 1.61 3.84 -1.26 -2.73 114.94 116.54 7rsa s ASN 113 Ca 0.00 -0.71 -0.16 0.00 0.21 0.00 0.00 52.86 52.20 7rsa s ASN 113 Cb 0.00 -0.51 0.03 0.00 -0.55 0.00 0.00 41.25 40.22 7rsa s ASN 113 CO 0.00 -0.30 1.23 -2.16 -2.79 0.00 0.00 177.10 173.07 7rsa s PRO 114 N 1.92 2.23 -0.56 0.43 0.04 -1.26 -5.08 135.00 132.72 7rsa s PRO 114 Ca 0.00 1.83 -0.26 0.00 0.04 0.00 0.00 61.00 62.61 7rsa s PRO 114 Cb -0.16 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.58 7rsa s PRO 114 CO -0.08 -1.79 1.07 -0.47 0.04 0.00 0.00 177.00 175.77 7rsa s TYR 115 N -1.84 2.71 0.22 0.56 5.04 -1.10 -4.90 117.35 118.03 7rsa s TYR 115 Ca 0.76 0.24 0.03 0.00 -2.44 0.00 0.00 57.07 55.66 7rsa s TYR 115 Cb -0.31 -4.30 -0.05 0.00 0.35 0.00 0.00 41.96 37.65 7rsa s TYR 115 CO 0.44 -1.45 0.00 0.14 -1.34 0.00 0.00 175.55 173.34 7rsa s VAL 116 N 4.45 0.94 0.20 3.14 -7.23 -0.86 -4.86 120.40 116.18 7rsa s VAL 116 Ca 0.37 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 7rsa s VAL 116 Cb -0.10 -2.30 -0.09 0.00 0.56 0.00 0.00 36.38 34.45 7rsa s VAL 116 CO 0.23 -0.35 1.30 -2.84 -0.31 0.00 0.00 175.10 173.13 7rsa s PRO 117 N -3.88 4.40 0.00 4.82 0.02 -1.26 -1.17 135.00 137.93 7rsa s PRO 117 Ca 0.28 2.04 0.00 0.00 0.02 0.00 0.00 61.00 63.34 7rsa s PRO 117 Cb 0.06 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.38 7rsa s PRO 117 CO 0.08 -0.23 0.00 1.33 -0.33 0.00 0.00 177.00 177.85 7rsa n VAL 118 N 2.52 0.00 -3.75 3.83 0.24 0.17 -4.52 118.33 116.82 7rsa n VAL 118 Ca 0.06 -0.26 -0.13 0.00 -2.04 0.00 0.00 64.34 61.96 7rsa n VAL 118 Cb 0.43 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 33.48 7rsa n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 7rsa s HIS 119 N -1.16 -0.31 -0.32 6.34 5.65 -1.16 -4.68 115.29 119.65 7rsa s HIS 119 Ca 0.00 0.67 -0.13 0.00 0.25 0.00 0.00 55.06 55.85 7rsa s HIS 119 Cb 0.00 0.12 -0.02 0.00 -1.18 0.00 0.00 32.58 31.50 7rsa s HIS 119 CO 0.00 -0.28 0.27 0.12 -0.65 0.00 0.00 174.74 174.20 7rsa s PHE 120 N -0.47 3.22 -0.20 3.88 2.19 -1.26 -1.14 117.98 124.21 7rsa s PHE 120 Ca -0.06 -0.06 -0.16 0.00 0.33 0.00 0.00 56.93 56.99 7rsa s PHE 120 Cb -0.04 -2.51 -0.20 0.00 -1.31 0.00 0.00 43.02 38.96 7rsa s PHE 120 CO 0.02 -0.33 0.16 -3.47 1.83 0.00 0.00 175.22 173.43 7rsa n ASP 121 N 5.18 1.95 -3.64 6.13 2.03 0.84 -4.98 116.55 124.07 7rsa n ASP 121 Ca -0.12 0.33 -0.01 0.00 0.52 0.00 0.00 54.79 55.51 7rsa n ASP 121 Cb 0.50 -0.90 -0.01 0.00 -0.72 0.00 0.00 41.12 40.00 7rsa n ASP 121 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 7rsa s ALA 122 N -2.44 -2.05 -0.06 -1.67 0.00 -1.06 -4.92 121.76 109.56 7rsa s ALA 122 Ca -0.29 0.74 0.05 0.00 0.00 0.00 0.00 51.96 52.46 7rsa s ALA 122 Cb 0.07 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 7rsa s ALA 122 CO 0.63 -0.95 -0.23 -1.54 0.00 0.00 0.00 175.76 173.67 7rsa s SER 123 N -2.80 2.86 0.00 0.00 1.04 -1.26 -0.49 113.70 113.05 7rsa s SER 123 Ca 0.12 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.07 7rsa s SER 123 Cb 0.02 -0.91 0.00 0.00 0.10 0.00 0.00 66.02 65.23 7rsa s SER 123 CO -0.03 0.20 0.23 1.33 0.98 0.00 0.00 173.24 175.96