#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9rsa s GLU 2 N 0.00 4.68 0.69 -1.58 2.12 -1.26 -5.04 118.70 118.31 9rsa s GLU 2 Ca 0.00 1.41 -0.17 0.00 0.36 0.00 0.00 54.97 56.58 9rsa s GLU 2 Cb 0.00 -3.38 0.01 0.00 0.26 0.00 0.00 34.13 31.03 9rsa s GLU 2 CO 0.00 0.22 1.24 2.41 -0.54 0.00 0.00 175.26 178.59 9rsa n THR 3 N 2.81 4.08 -0.20 -1.70 -1.04 -1.26 -4.83 114.28 112.14 9rsa n THR 3 Ca 0.02 -0.42 -0.09 0.00 -2.04 0.00 0.00 64.05 61.52 9rsa n THR 3 Cb 0.49 -1.39 0.04 0.00 -1.82 0.00 0.00 70.33 67.66 9rsa n THR 3 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 9rsa h ALA 4 N 0.12 0.85 -0.47 2.41 0.00 -1.96 -0.14 119.26 120.07 9rsa h ALA 4 Ca -0.49 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.07 9rsa h ALA 4 Cb 1.33 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 9rsa h ALA 4 CO 0.51 0.66 0.18 0.00 0.00 0.00 0.00 179.25 180.60 9rsa h ALA 5 N 1.02 0.61 -0.32 0.00 0.00 -1.90 -1.11 119.26 117.57 9rsa h ALA 5 Ca 0.16 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 9rsa h ALA 5 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 9rsa h ALA 5 CO 0.03 0.24 -0.27 0.00 0.00 0.00 0.00 179.25 179.26 9rsa h ALA 6 N 1.02 0.95 -0.11 0.00 0.00 -1.87 -2.46 119.26 116.79 9rsa h ALA 6 Ca 0.16 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 9rsa h ALA 6 Cb 0.22 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 9rsa h ALA 6 CO -0.01 0.61 0.04 -0.22 0.00 0.00 0.00 179.25 179.67 9rsa h LYS 7 N 0.55 0.16 -0.70 0.00 3.64 -0.89 -1.61 116.57 117.72 9rsa h LYS 7 Ca 0.07 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 9rsa h LYS 7 Cb 0.74 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 9rsa h LYS 7 CO 0.06 0.26 0.45 0.35 -2.27 0.00 0.00 179.45 178.30 9rsa h PHE 8 N 0.02 0.90 -0.32 1.91 3.57 -1.02 -1.19 116.94 120.80 9rsa h PHE 8 Ca 0.04 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.49 9rsa h PHE 8 Cb 0.16 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 9rsa h PHE 8 CO -0.02 0.58 -0.02 0.93 -2.23 0.00 0.00 178.31 177.55 9rsa h GLU 9 N 0.96 0.58 -0.49 1.11 5.08 -1.22 0.21 114.58 120.81 9rsa h GLU 9 Ca 0.26 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 9rsa h GLU 9 Cb -0.09 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 9rsa h GLU 9 CO -0.05 0.73 -0.15 -0.09 -1.00 0.00 0.00 179.01 178.44 9rsa h ARG 10 N 0.37 0.98 0.03 2.33 2.43 -1.11 -2.03 114.38 117.38 9rsa h ARG 10 Ca 0.09 -0.39 -0.25 0.00 -0.81 0.00 0.00 59.98 58.61 9rsa h ARG 10 Cb 0.48 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 9rsa h ARG 10 CO 0.02 1.06 -1.30 1.96 -1.51 0.00 0.00 179.97 180.21 9rsa h GLN 11 N 0.83 0.07 0.00 0.20 4.20 -1.18 -3.42 115.11 115.82 9rsa h GLN 11 Ca 0.12 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.71 9rsa h GLN 11 Cb 0.72 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.55 9rsa h GLN 11 CO 0.06 0.92 0.00 0.72 -0.67 0.00 0.00 178.83 179.86 9rsa n HIS 12 N -3.31 0.00 -4.20 2.96 8.25 0.74 -4.74 115.22 114.92 9rsa n HIS 12 Ca -0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.03 9rsa n HIS 12 Cb 0.99 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.01 9rsa n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 9rsa s MET 13 N -0.32 3.47 -0.46 -0.41 -1.94 -0.76 0.27 119.30 119.15 9rsa s MET 13 Ca 0.00 -0.37 0.06 0.00 -1.71 0.00 0.00 55.69 53.67 9rsa s MET 13 Cb 0.00 -3.00 0.20 0.00 2.01 0.00 0.00 34.83 34.04 9rsa s MET 13 CO 0.00 0.50 0.60 -3.47 -0.01 0.00 0.00 175.02 172.64 9rsa n ASP 14 N 2.80 -1.92 0.13 3.03 4.64 -0.33 -4.82 116.55 120.09 9rsa n ASP 14 Ca -0.18 -2.77 0.13 0.00 -1.38 0.00 0.00 54.79 50.59 9rsa n ASP 14 Cb 0.53 0.69 0.40 0.00 -1.04 0.00 0.00 41.12 41.70 9rsa n ASP 14 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 9rsa h SER 15 N 4.93 0.00 0.47 1.67 0.02 -1.72 -3.31 113.55 115.61 9rsa h SER 15 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 9rsa h SER 15 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 9rsa h SER 15 CO 0.24 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.39 9rsa n SER 16 N -2.41 0.00 -4.05 3.07 3.41 -1.26 -4.76 113.62 107.62 9rsa n SER 16 Ca 0.04 -0.28 -0.16 0.00 -0.26 0.00 0.00 58.87 58.22 9rsa n SER 16 Cb 0.40 -0.24 -0.13 0.00 -0.26 0.00 0.00 64.21 63.99 9rsa n SER 16 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 9rsa s THR 17 N -2.48 0.65 -0.21 6.66 -4.23 -1.24 -5.03 115.64 109.76 9rsa s THR 17 Ca 0.32 -0.82 0.18 0.00 -1.18 0.00 0.00 61.69 60.18 9rsa s THR 17 Cb 0.20 -0.64 0.05 0.00 1.34 0.00 0.00 72.50 73.46 9rsa s THR 17 CO 0.44 -0.15 1.24 0.28 -0.54 0.00 0.00 174.62 175.90 9rsa h SER 18 N 5.02 0.00 -5.01 3.99 0.02 -1.87 -3.43 113.55 112.27 9rsa h SER 18 Ca -0.34 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 60.69 9rsa h SER 18 Cb 1.19 0.00 -0.10 0.00 0.14 0.00 0.00 62.40 63.64 9rsa h SER 18 CO 0.44 0.35 0.35 0.00 -1.14 0.00 0.00 176.83 176.83 9rsa s ALA 19 N -3.06 -1.55 0.03 3.77 0.00 -1.26 -4.81 121.76 114.87 9rsa s ALA 19 Ca 0.02 0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.96 9rsa s ALA 19 Cb 0.08 0.72 -0.08 0.00 0.00 0.00 0.00 23.12 23.83 9rsa s ALA 19 CO 0.76 -0.90 1.93 0.00 0.00 0.00 0.00 175.76 177.55 9rsa s ALA 20 N -3.54 3.58 0.00 0.00 0.00 -1.26 -4.90 121.76 115.64 9rsa s ALA 20 Ca 0.08 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.28 9rsa s ALA 20 Cb -0.02 -3.84 -0.02 0.00 0.00 0.00 0.00 23.12 19.24 9rsa s ALA 20 CO -0.03 -1.56 0.81 0.66 0.00 0.00 0.00 175.76 175.64 9rsa h SER 21 N 10.50 -0.13 -4.39 0.00 4.64 -1.99 -3.48 113.55 118.70 9rsa h SER 21 Ca -0.48 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.39 9rsa h SER 21 Cb 1.23 0.03 -0.09 0.00 -0.31 0.00 0.00 62.40 63.27 9rsa h SER 21 CO 0.94 -0.07 -0.33 -1.54 -0.87 0.00 0.00 176.83 174.96 9rsa n SER 22 N -2.50 2.89 0.17 4.97 3.41 -1.26 -5.00 113.62 116.29 9rsa n SER 22 Ca -0.02 -2.54 0.13 0.00 -0.26 0.00 0.00 58.87 56.18 9rsa n SER 22 Cb 0.06 0.27 0.58 0.00 -0.26 0.00 0.00 64.21 64.86 9rsa n SER 22 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 9rsa h SER 23 N 0.86 0.00 -0.27 4.04 0.02 -1.95 -2.57 113.55 113.68 9rsa h SER 23 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 9rsa h SER 23 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 9rsa h SER 23 CO 0.48 0.00 0.00 -3.20 -1.14 0.00 0.00 176.83 172.97 9rsa n ASN 24 N -2.39 2.54 -0.08 3.07 2.85 -1.26 -4.36 115.26 115.63 9rsa n ASN 24 Ca 0.01 -1.86 -0.07 0.00 -0.11 0.00 0.00 54.58 52.55 9rsa n ASN 24 Cb 0.18 -0.17 -0.00 0.00 1.24 0.00 0.00 39.78 41.02 9rsa n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 9rsa h TYR 25 N 3.33 -0.36 -0.06 1.20 3.20 -1.86 -2.52 116.97 119.89 9rsa h TYR 25 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 9rsa h TYR 25 Cb 0.73 0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.21 9rsa h TYR 25 CO 0.17 -0.22 0.04 0.00 -1.64 0.00 0.00 178.16 176.51 9rsa h ASN 27 N 0.08 -0.37 0.04 0.00 2.35 -1.77 0.26 115.58 116.17 9rsa h ASN 27 Ca 0.02 0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 9rsa h ASN 27 Cb -0.01 0.32 0.00 0.00 0.05 0.00 0.00 38.32 38.68 9rsa h ASN 27 CO -0.00 -0.15 -0.02 1.56 -1.65 0.00 0.00 177.43 177.16 9rsa h GLN 28 N 0.08 -0.05 -0.23 0.81 4.20 -1.17 -3.15 115.11 115.60 9rsa h GLN 28 Ca 0.33 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.92 9rsa h GLN 28 Cb 0.55 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 9rsa h GLN 28 CO -0.59 0.47 -0.40 0.52 -0.67 0.00 0.00 178.83 178.17 9rsa h MET 29 N -0.61 0.54 -0.23 1.46 2.86 0.12 -0.67 114.93 118.39 9rsa h MET 29 Ca -0.01 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.31 9rsa h MET 29 Cb 0.55 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 9rsa h MET 29 CO 0.01 0.85 -0.09 0.52 1.06 0.00 0.00 176.91 179.25 9rsa h MET 30 N 0.45 0.37 0.24 1.72 2.86 -0.63 -2.07 114.93 117.86 9rsa h MET 30 Ca 0.04 -0.09 -0.34 0.00 -2.06 0.00 0.00 59.70 57.25 9rsa h MET 30 Cb 0.89 -0.05 0.03 0.00 0.06 0.00 0.00 31.60 32.53 9rsa h MET 30 CO 0.08 0.48 -1.53 -0.22 1.06 0.00 0.00 176.91 176.78 9rsa h LYS 31 N 0.35 0.51 0.00 1.72 3.64 -1.45 0.10 116.57 121.44 9rsa h LYS 31 Ca 0.07 -0.87 0.00 0.00 -1.27 0.00 0.00 60.65 58.58 9rsa h LYS 31 Cb 0.39 0.33 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 9rsa h LYS 31 CO 0.02 1.42 0.00 0.66 -2.27 0.00 0.00 179.45 179.28 9rsa h SER 32 N 0.13 0.00 -0.51 4.20 4.64 -0.97 -2.76 113.55 118.27 9rsa h SER 32 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 9rsa h SER 32 Cb 2.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.24 9rsa h SER 32 CO 0.25 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.75 9rsa n ARG 33 N -3.09 2.28 -2.10 4.77 5.12 -0.79 -4.94 116.66 117.92 9rsa n ARG 33 Ca 0.02 -1.98 -0.15 0.00 -1.93 0.00 0.00 57.85 53.81 9rsa n ARG 33 Cb 0.39 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 9rsa n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 9rsa n ASN 34 N 1.12 -4.50 -0.41 0.55 3.02 -1.04 -4.85 115.26 109.15 9rsa n ASN 34 Ca 0.19 0.06 0.14 0.00 -0.03 0.00 0.00 54.58 54.94 9rsa n ASN 34 Cb 0.48 -3.57 0.50 0.00 -0.61 0.00 0.00 39.78 36.58 9rsa n ASN 34 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 9rsa n LEU 35 N -2.00 1.35 -0.46 3.41 4.77 0.34 -3.72 117.00 120.69 9rsa n LEU 35 Ca -0.17 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.43 9rsa n LEU 35 Cb 0.60 -0.03 0.11 0.00 -2.33 0.00 0.00 43.42 41.77 9rsa n LEU 35 CO 0.21 0.23 0.60 0.41 -1.33 0.00 0.00 177.39 177.50 9rsa n THR 36 N -0.04 1.09 -0.05 -5.08 -1.04 -1.17 -2.37 114.28 105.62 9rsa n THR 36 Ca 0.18 -1.07 -0.12 0.00 -2.04 0.00 0.00 64.05 60.99 9rsa n THR 36 Cb 0.35 0.44 -0.07 0.00 -1.82 0.00 0.00 70.33 69.23 9rsa n THR 36 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 9rsa h LYS 37 N 1.39 0.25 0.00 -2.82 3.64 -1.89 -3.36 116.57 113.78 9rsa h LYS 37 Ca 0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 9rsa h LYS 37 Cb 0.71 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 9rsa h LYS 37 CO 0.01 0.56 -0.87 -0.25 -2.27 0.00 0.00 179.45 176.63 9rsa n ASP 38 N -4.72 1.47 -3.66 4.20 10.43 -1.26 -5.03 116.55 117.98 9rsa n ASP 38 Ca -0.06 -0.41 -0.09 0.00 2.57 0.00 0.00 54.79 56.81 9rsa n ASP 38 Cb 0.26 1.19 -0.02 0.00 1.84 0.00 0.00 41.12 44.39 9rsa n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 9rsa s ARG 39 N -2.21 1.46 -0.53 -1.24 1.70 -1.26 -5.10 118.95 111.78 9rsa s ARG 39 Ca 0.00 -0.71 -0.27 0.00 -0.47 0.00 0.00 55.73 54.29 9rsa s ARG 39 Cb 0.07 0.56 0.03 0.00 -0.57 0.00 0.00 34.95 35.04 9rsa s ARG 39 CO 0.39 -0.66 1.06 0.00 -1.08 0.00 0.00 175.30 175.01 9rsa s LYS 41 N 4.35 4.16 0.13 0.00 2.20 -1.00 -4.89 119.74 124.70 9rsa s LYS 41 Ca 0.40 2.50 -0.14 0.00 -0.36 0.00 0.00 55.97 58.36 9rsa s LYS 41 Cb -0.09 -3.45 -0.01 0.00 -1.51 0.00 0.00 37.83 32.77 9rsa s LYS 41 CO 0.25 -0.77 1.60 -1.00 -0.36 0.00 0.00 175.35 175.07 9rsa h PRO 42 N 7.99 0.73 -4.31 4.03 0.13 -1.94 -3.44 132.00 135.20 9rsa h PRO 42 Ca -0.44 -0.21 -0.28 0.00 -0.87 0.00 0.00 66.00 64.19 9rsa h PRO 42 Cb 1.21 -0.08 -0.25 0.00 0.13 0.00 0.00 31.00 32.01 9rsa h PRO 42 CO 0.94 0.78 -0.74 0.08 -0.23 0.00 0.00 178.00 178.84 9rsa s VAL 43 N -5.10 0.38 -0.23 1.56 1.01 -1.26 0.48 120.40 117.24 9rsa s VAL 43 Ca -0.13 -0.55 -0.27 0.00 0.00 0.00 0.00 61.98 61.03 9rsa s VAL 43 Cb 0.10 -0.39 0.12 0.00 0.00 0.00 0.00 36.38 36.21 9rsa s VAL 43 CO 0.79 -0.12 0.97 0.21 0.00 0.00 0.00 175.10 176.95 9rsa s ASN 44 N -0.72 -0.47 -0.09 3.32 2.47 -0.64 -5.02 114.94 113.79 9rsa s ASN 44 Ca -0.04 0.77 0.04 0.00 0.42 0.00 0.00 52.86 54.05 9rsa s ASN 44 Cb -0.05 0.73 -0.00 0.00 -1.45 0.00 0.00 41.25 40.47 9rsa s ASN 44 CO -0.00 -0.25 -0.24 -0.89 -3.72 0.00 0.00 177.10 172.00 9rsa s THR 45 N -0.27 2.11 -0.09 -5.21 2.01 -1.26 0.39 115.64 113.32 9rsa s THR 45 Ca 0.00 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 9rsa s THR 45 Cb -0.03 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 9rsa s THR 45 CO -0.02 0.56 0.00 -0.36 -0.69 0.00 0.00 174.62 174.11 9rsa s PHE 46 N 0.20 3.16 -0.19 4.92 0.08 0.00 -4.43 117.98 121.72 9rsa s PHE 46 Ca -0.14 0.17 -0.04 0.00 0.12 0.00 0.00 56.93 57.04 9rsa s PHE 46 Cb -0.17 -1.80 -0.02 0.00 -0.57 0.00 0.00 43.02 40.46 9rsa s PHE 46 CO 0.07 0.44 -0.03 0.08 -0.10 0.00 0.00 175.22 175.69 9rsa s VAL 47 N -0.81 3.67 -1.10 -0.44 1.01 0.14 -0.30 120.40 122.57 9rsa s VAL 47 Ca 0.12 -0.41 -0.04 0.00 0.00 0.00 0.00 61.98 61.66 9rsa s VAL 47 Cb -0.11 -2.64 0.29 0.00 0.00 0.00 0.00 36.38 33.91 9rsa s VAL 47 CO 0.02 0.44 1.69 1.41 0.00 0.00 0.00 175.10 178.67 9rsa n HIS 48 N 4.25 2.48 -3.96 5.22 -0.00 -0.07 -1.19 115.22 121.95 9rsa n HIS 48 Ca -0.18 -2.60 -0.09 0.00 -0.00 0.00 0.00 57.72 54.86 9rsa n HIS 48 Cb 0.52 -1.33 -0.08 0.00 -0.00 0.00 0.00 29.99 29.09 9rsa n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 9rsa s GLU 49 N -2.91 0.92 0.75 -0.41 0.41 -1.26 -4.52 118.70 111.68 9rsa s GLU 49 Ca 0.36 -1.12 -0.12 0.00 -0.41 0.00 0.00 54.97 53.68 9rsa s GLU 49 Cb 0.11 0.32 0.05 0.00 -1.78 0.00 0.00 34.13 32.83 9rsa s GLU 49 CO 0.01 -0.30 1.10 -1.54 -0.49 0.00 0.00 175.26 174.05 9rsa s SER 50 N -2.93 4.54 0.19 -0.19 1.04 -1.26 -4.16 113.70 110.94 9rsa s SER 50 Ca 0.12 1.90 -0.12 0.00 0.48 0.00 0.00 55.95 58.32 9rsa s SER 50 Cb 0.05 -2.53 0.11 0.00 0.10 0.00 0.00 66.02 63.75 9rsa s SER 50 CO -0.06 -2.01 1.85 0.25 0.98 0.00 0.00 173.24 174.25 9rsa h LEU 51 N -0.89 0.76 -0.64 2.42 5.85 -1.99 -2.60 115.31 118.23 9rsa h LEU 51 Ca -0.44 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.34 9rsa h LEU 51 Cb 1.24 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 42.00 9rsa h LEU 51 CO 0.51 0.57 0.25 0.00 -0.34 0.00 0.00 178.44 179.43 9rsa h ALA 52 N 1.22 0.85 -0.45 1.25 0.00 -1.99 0.30 119.26 120.45 9rsa h ALA 52 Ca 0.24 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 9rsa h ALA 52 Cb -0.07 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 9rsa h ALA 52 CO -0.05 -0.18 -0.07 -0.44 0.00 0.00 0.00 179.25 178.51 9rsa h ASP 53 N 0.43 0.77 -0.12 0.00 3.32 -1.85 -1.68 116.42 117.29 9rsa h ASP 53 Ca 0.33 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 9rsa h ASP 53 Cb 0.42 -0.21 0.01 0.00 0.22 0.00 0.00 39.33 39.78 9rsa h ASP 53 CO -0.32 0.88 -0.54 0.58 -1.72 0.00 0.00 179.24 178.11 9rsa h VAL 54 N 0.72 1.35 -0.42 -1.35 2.07 -0.87 -3.17 116.25 114.57 9rsa h VAL 54 Ca 0.13 -1.83 -0.03 0.00 0.82 0.00 0.00 66.70 65.78 9rsa h VAL 54 Cb 0.54 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.41 9rsa h VAL 54 CO 0.03 0.56 0.12 1.56 0.02 0.00 0.00 177.57 179.86 9rsa h GLN 55 N 0.21 0.62 0.00 1.57 4.20 -0.42 -2.13 115.11 119.16 9rsa h GLN 55 Ca -0.03 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 9rsa h GLN 55 Cb 1.18 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 9rsa h GLN 55 CO 0.11 0.55 -0.01 0.00 -0.67 0.00 0.00 178.83 178.82 9rsa h ALA 56 N 1.53 1.12 -0.20 3.87 0.00 -1.27 -2.62 119.26 121.68 9rsa h ALA 56 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 9rsa h ALA 56 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 9rsa h ALA 56 CO -0.01 0.01 -0.08 0.28 0.00 0.00 0.00 179.25 179.46 9rsa h VAL 57 N 0.00 1.17 0.00 0.00 2.07 -1.45 -2.55 116.25 115.50 9rsa h VAL 57 Ca -0.00 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.79 9rsa h VAL 57 Cb 0.07 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 9rsa h VAL 57 CO 0.00 0.23 0.06 0.00 0.02 0.00 0.00 177.57 177.88 9rsa n SER 59 N -1.29 1.53 0.00 0.00 3.41 -0.96 -5.01 113.62 111.30 9rsa n SER 59 Ca 0.00 -2.39 0.00 0.00 -0.26 0.00 0.00 58.87 56.22 9rsa n SER 59 Cb 0.06 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 63.77 9rsa n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 9rsa n GLN 60 N -0.77 3.43 -2.14 4.33 6.02 0.00 -4.99 117.38 123.26 9rsa n GLN 60 Ca 0.07 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.63 9rsa n GLN 60 Cb 0.55 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.78 9rsa n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 9rsa s LYS 61 N 4.54 3.59 0.00 -1.09 2.20 -0.85 -4.81 119.74 123.33 9rsa s LYS 61 Ca 0.00 1.40 -0.30 0.00 -0.36 0.00 0.00 55.97 56.71 9rsa s LYS 61 Cb 0.00 -4.08 -0.05 0.00 -1.51 0.00 0.00 37.83 32.19 9rsa s LYS 61 CO 0.00 -1.54 1.28 1.21 -0.36 0.00 0.00 175.35 175.94 9rsa s ASN 62 N 4.74 6.97 0.09 1.43 3.04 -1.26 0.07 114.94 130.03 9rsa s ASN 62 Ca 0.71 2.00 -0.04 0.00 0.04 0.00 0.00 52.86 55.57 9rsa s ASN 62 Cb -0.21 -2.57 -0.03 0.00 -1.54 0.00 0.00 41.25 36.91 9rsa s ASN 62 CO 0.31 -0.61 0.09 0.68 -3.04 0.00 0.00 177.10 174.53 9rsa s VAL 63 N 1.93 0.15 0.42 -5.21 -7.23 -0.07 -4.95 120.40 105.44 9rsa s VAL 63 Ca 0.60 -1.63 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 9rsa s VAL 63 Cb -0.29 -1.65 -0.08 0.00 0.56 0.00 0.00 36.38 34.92 9rsa s VAL 63 CO 0.26 -0.69 1.21 0.00 -0.31 0.00 0.00 175.10 175.57 9rsa s ALA 64 N -3.94 3.13 0.69 1.32 0.00 -1.26 -2.55 121.76 119.15 9rsa s ALA 64 Ca 0.12 1.04 -0.10 0.00 0.00 0.00 0.00 51.96 53.03 9rsa s ALA 64 Cb 0.06 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.79 9rsa s ALA 64 CO -0.06 -0.67 1.06 0.00 0.00 0.00 0.00 175.76 176.09 9rsa h LYS 66 N -0.60 0.54 -0.07 0.00 6.56 -1.93 -1.10 116.57 119.96 9rsa h LYS 66 Ca -0.45 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.11 9rsa h LYS 66 Cb 1.27 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.81 9rsa h LYS 66 CO 0.63 0.36 0.00 0.27 -2.06 0.00 0.00 179.45 178.65 9rsa n ASN 67 N -4.92 0.90 0.00 0.86 0.23 -1.26 -4.94 115.26 106.13 9rsa n ASN 67 Ca 0.23 -1.51 0.00 0.00 -0.53 0.00 0.00 54.58 52.77 9rsa n ASN 67 Cb 0.62 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 9rsa n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 9rsa n GLY 68 N 1.00 3.19 3.68 4.83 0.00 -0.42 -5.06 105.19 112.42 9rsa n GLY 68 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 9rsa n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 9rsa s GLN 69 N -0.38 1.28 -0.20 1.61 -0.21 -1.26 -4.58 119.66 115.91 9rsa s GLN 69 Ca 0.00 1.66 0.15 0.00 0.02 0.00 0.00 55.36 57.20 9rsa s GLN 69 Cb 0.00 -1.74 0.50 0.00 1.00 0.00 0.00 33.01 32.77 9rsa s GLN 69 CO 0.00 -2.47 1.40 0.25 -2.12 0.00 0.00 175.29 172.36 9rsa n THR 70 N -3.81 2.30 -1.71 -0.19 -2.24 -1.26 0.07 114.28 107.45 9rsa n THR 70 Ca 0.13 -2.09 -0.35 0.00 -2.27 0.00 0.00 64.05 59.47 9rsa n THR 70 Cb 0.51 -0.27 0.05 0.00 -2.10 0.00 0.00 70.33 68.53 9rsa n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 9rsa n ASN 71 N -0.73 7.14 -4.70 3.42 6.94 -1.26 -4.71 115.26 121.36 9rsa n ASN 71 Ca 0.23 -3.80 -0.31 0.00 -0.02 0.00 0.00 54.58 50.68 9rsa n ASN 71 Cb 0.90 -0.91 -0.08 0.00 -2.36 0.00 0.00 39.78 37.33 9rsa n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 9rsa s TYR 73 N -1.25 0.37 -0.14 0.00 2.02 -0.38 -0.89 117.35 117.09 9rsa s TYR 73 Ca 0.24 -0.06 -0.04 0.00 -0.37 0.00 0.00 57.07 56.85 9rsa s TYR 73 Cb -0.12 -0.32 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 9rsa s TYR 73 CO 0.16 -0.06 -0.01 -1.14 -1.57 0.00 0.00 175.55 172.93 9rsa s GLN 74 N 0.34 3.53 0.29 -0.62 0.74 0.11 -2.00 119.66 122.06 9rsa s GLN 74 Ca -0.03 -0.45 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 9rsa s GLN 74 Cb -0.07 -2.94 -0.11 0.00 1.10 0.00 0.00 33.01 31.00 9rsa s GLN 74 CO -0.01 0.38 1.49 -1.54 -0.55 0.00 0.00 175.29 175.07 9rsa s SER 75 N -0.00 6.53 0.19 6.67 1.04 -0.35 -2.01 113.70 125.77 9rsa s SER 75 Ca 0.02 2.81 -0.06 0.00 0.48 0.00 0.00 55.95 59.21 9rsa s SER 75 Cb -0.13 -2.63 0.12 0.00 0.10 0.00 0.00 66.02 63.48 9rsa s SER 75 CO 0.02 -0.78 1.57 1.88 0.98 0.00 0.00 173.24 176.91 9rsa h TYR 76 N 4.58 0.90 -2.89 5.02 0.05 -1.96 -3.43 116.97 119.24 9rsa h TYR 76 Ca -0.47 -0.24 -0.52 0.00 0.05 0.00 0.00 58.73 57.55 9rsa h TYR 76 Cb 1.22 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 38.75 9rsa h TYR 76 CO 0.58 0.99 -0.27 -1.12 -1.05 0.00 0.00 178.16 177.29 9rsa s SER 77 N -6.81 6.38 0.58 3.88 0.01 -1.26 -5.05 113.70 111.43 9rsa s SER 77 Ca -0.09 0.46 -0.14 0.00 1.31 0.00 0.00 55.95 57.49 9rsa s SER 77 Cb 0.12 -2.04 -0.05 0.00 0.21 0.00 0.00 66.02 64.26 9rsa s SER 77 CO 0.85 -0.12 1.02 0.42 0.41 0.00 0.00 173.24 175.82 9rsa s THR 78 N -1.99 4.42 0.09 1.44 -4.23 -1.26 -4.57 115.64 109.54 9rsa s THR 78 Ca 0.40 1.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.94 9rsa s THR 78 Cb -0.11 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 9rsa s THR 78 CO 0.30 -0.82 -0.09 -0.04 -0.54 0.00 0.00 174.62 173.43 9rsa s MET 79 N -4.51 0.81 -0.33 3.99 -1.94 0.10 -4.82 119.30 112.60 9rsa s MET 79 Ca 0.58 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 53.15 9rsa s MET 79 Cb -0.12 -0.47 -0.00 0.00 2.01 0.00 0.00 34.83 36.25 9rsa s MET 79 CO 0.42 0.07 1.41 0.45 -0.01 0.00 0.00 175.02 177.36 9rsa s SER 80 N -2.40 6.47 0.13 3.03 0.15 -1.26 -0.91 113.70 118.91 9rsa s SER 80 Ca 0.04 1.15 0.08 0.00 0.70 0.00 0.00 55.95 57.92 9rsa s SER 80 Cb -0.03 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 9rsa s SER 80 CO -0.00 -1.26 -0.19 0.27 1.20 0.00 0.00 173.24 173.26 9rsa s ILE 81 N 4.98 1.71 -0.19 6.45 -5.25 0.65 -0.90 121.20 128.66 9rsa s ILE 81 Ca 0.61 -1.72 0.01 0.00 -0.99 0.00 0.00 60.65 58.56 9rsa s ILE 81 Cb -0.17 -1.67 0.03 0.00 2.95 0.00 0.00 42.46 43.60 9rsa s ILE 81 CO 0.28 -0.21 -0.16 -0.89 -1.79 0.00 0.00 174.94 172.17 9rsa s THR 82 N -1.66 1.93 -0.19 8.37 2.01 0.59 -1.50 115.64 125.19 9rsa s THR 82 Ca 0.11 -1.02 -0.21 0.00 0.31 0.00 0.00 61.69 60.88 9rsa s THR 82 Cb -0.08 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.57 9rsa s THR 82 CO 0.05 0.37 0.63 -0.62 -0.69 0.00 0.00 174.62 174.36 9rsa s ASP 83 N 1.31 6.71 -0.17 3.53 2.15 0.44 -0.82 116.67 129.82 9rsa s ASP 83 Ca 0.02 0.86 0.00 0.00 0.43 0.00 0.00 52.55 53.86 9rsa s ASP 83 Cb -0.15 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 40.13 9rsa s ASP 83 CO -0.10 -0.25 -0.16 0.00 -0.17 0.00 0.00 175.17 174.49 9rsa s ARG 85 N 1.06 1.50 0.26 0.00 6.06 -1.01 -1.62 118.95 125.20 9rsa s ARG 85 Ca -0.01 -0.30 -0.30 0.00 -2.50 0.00 0.00 55.73 52.62 9rsa s ARG 85 Cb -0.14 -1.39 -0.10 0.00 0.06 0.00 0.00 34.95 33.37 9rsa s ARG 85 CO -0.05 -0.10 1.40 -2.00 -2.50 0.00 0.00 175.30 172.05 9rsa s GLU 86 N 1.12 4.29 0.66 5.12 2.12 0.18 -0.77 118.70 131.42 9rsa s GLU 86 Ca -0.06 2.26 -0.07 0.00 0.36 0.00 0.00 54.97 57.45 9rsa s GLU 86 Cb -0.14 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.16 9rsa s GLU 86 CO -0.01 -0.36 0.99 0.95 -0.54 0.00 0.00 175.26 176.28 9rsa s THR 87 N -0.17 3.10 -1.15 -1.70 -4.23 -0.26 -4.86 115.64 106.37 9rsa s THR 87 Ca 0.57 0.01 0.15 0.00 -1.18 0.00 0.00 61.69 61.24 9rsa s THR 87 Cb -0.41 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.31 9rsa s THR 87 CO 0.44 -0.33 1.45 0.61 -0.54 0.00 0.00 174.62 176.25 9rsa n GLY 88 N -2.81 -0.92 0.58 3.99 0.00 -1.26 -2.67 105.19 102.09 9rsa n GLY 88 Ca 0.06 -0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.09 9rsa n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 9rsa n SER 89 N -1.42 2.35 -4.76 1.61 3.41 -1.26 -5.00 113.62 108.54 9rsa n SER 89 Ca 0.05 -1.66 -0.39 0.00 -0.26 0.00 0.00 58.87 56.60 9rsa n SER 89 Cb 0.15 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 63.98 9rsa n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 9rsa s SER 90 N -1.05 7.30 -0.12 4.04 1.04 -1.09 -4.94 113.70 118.87 9rsa s SER 90 Ca 0.18 2.12 -0.04 0.00 0.48 0.00 0.00 55.95 58.69 9rsa s SER 90 Cb 0.12 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.68 9rsa s SER 90 CO 0.17 -0.11 0.20 -0.75 0.98 0.00 0.00 173.24 173.73 9rsa s LYS 91 N -1.57 0.10 0.31 4.02 2.20 -1.21 -4.89 119.74 118.70 9rsa s LYS 91 Ca 0.46 0.54 -0.28 0.00 -0.36 0.00 0.00 55.97 56.32 9rsa s LYS 91 Cb -0.28 -0.41 -0.13 0.00 -1.51 0.00 0.00 37.83 35.50 9rsa s LYS 91 CO 0.35 -0.38 1.18 0.98 -0.36 0.00 0.00 175.35 177.13 9rsa n TYR 92 N 5.33 1.82 0.20 4.03 9.36 -1.26 0.32 117.16 136.96 9rsa n TYR 92 Ca -0.05 0.61 0.06 0.00 3.32 0.00 0.00 57.90 61.84 9rsa n TYR 92 Cb 0.50 -2.35 0.23 0.00 -0.63 0.00 0.00 39.34 37.09 9rsa n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 9rsa n PRO 93 N 0.78 2.71 -2.81 2.98 -0.04 -1.26 -4.94 135.00 132.42 9rsa n PRO 93 Ca 0.08 -1.79 -0.42 0.00 -0.04 0.00 0.00 63.50 61.33 9rsa n PRO 93 Cb 0.34 -1.65 0.01 0.00 -0.04 0.00 0.00 33.50 32.16 9rsa n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 9rsa n ASN 94 N 0.62 6.92 -4.71 3.54 3.02 0.15 -5.00 115.26 119.80 9rsa n ASN 94 Ca 0.16 -3.57 -0.43 0.00 -0.03 0.00 0.00 54.58 50.71 9rsa n ASN 94 Cb 0.60 -1.21 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 9rsa n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 9rsa s ALA 96 N 0.47 1.22 0.11 0.00 0.00 -1.26 -4.94 121.76 117.36 9rsa s ALA 96 Ca 0.71 -0.53 0.04 0.00 0.00 0.00 0.00 51.96 52.17 9rsa s ALA 96 Cb -0.56 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 9rsa s ALA 96 CO 0.42 0.22 -0.10 0.71 0.00 0.00 0.00 175.76 177.01 9rsa s TYR 97 N 0.09 1.10 -0.26 0.00 2.02 -1.26 -1.11 117.35 117.93 9rsa s TYR 97 Ca -0.03 -0.73 -0.18 0.00 -0.37 0.00 0.00 57.07 55.76 9rsa s TYR 97 Cb -0.10 -0.59 -0.03 0.00 -0.40 0.00 0.00 41.96 40.84 9rsa s TYR 97 CO 0.01 0.00 0.52 0.21 -1.57 0.00 0.00 175.55 174.73 9rsa s LYS 98 N -3.26 4.06 -0.18 -0.62 2.20 0.05 -4.67 119.74 117.32 9rsa s LYS 98 Ca 0.10 0.33 -0.17 0.00 -0.36 0.00 0.00 55.97 55.87 9rsa s LYS 98 Cb 0.00 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 9rsa s LYS 98 CO -0.01 -0.36 0.44 0.99 -0.36 0.00 0.00 175.35 176.05 9rsa s THR 99 N 2.33 5.18 -0.16 3.43 2.01 -1.26 -2.41 115.64 124.75 9rsa s THR 99 Ca 0.21 0.81 0.00 0.00 0.31 0.00 0.00 61.69 63.02 9rsa s THR 99 Cb -0.16 -3.77 0.04 0.00 0.01 0.00 0.00 72.50 68.62 9rsa s THR 99 CO 0.09 0.25 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.30 9rsa s THR 100 N 1.23 1.31 -0.12 -0.82 2.01 -0.35 -4.99 115.64 113.90 9rsa s THR 100 Ca 0.21 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.43 9rsa s THR 100 Cb -0.15 -1.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 9rsa s THR 100 CO 0.09 0.23 0.24 -1.58 -0.69 0.00 0.00 174.62 172.91 9rsa s GLN 101 N 1.56 3.93 0.16 4.92 2.00 -1.26 -0.42 119.66 130.55 9rsa s GLN 101 Ca 0.02 0.04 -0.24 0.00 -2.00 0.00 0.00 55.36 53.18 9rsa s GLN 101 Cb -0.15 -3.31 0.06 0.00 0.80 0.00 0.00 33.01 30.41 9rsa s GLN 101 CO -0.08 0.50 0.75 0.00 -0.50 0.00 0.00 175.29 175.96 9rsa s ALA 102 N -0.31 -1.55 -0.31 1.58 0.00 -0.57 -5.01 121.76 115.60 9rsa s ALA 102 Ca 0.16 0.32 -0.05 0.00 0.00 0.00 0.00 51.96 52.39 9rsa s ALA 102 Cb -0.13 0.74 0.03 0.00 0.00 0.00 0.00 23.12 23.76 9rsa s ALA 102 CO 0.05 -0.87 0.05 -0.80 0.00 0.00 0.00 175.76 174.19 9rsa s ASN 103 N -2.77 5.04 0.07 0.00 -0.87 -1.26 -0.25 114.94 114.90 9rsa s ASN 103 Ca 0.06 -1.02 -0.06 0.00 -1.57 0.00 0.00 52.86 50.28 9rsa s ASN 103 Cb -0.02 -1.81 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 9rsa s ASN 103 CO -0.04 -0.25 0.12 -0.54 -2.57 0.00 0.00 177.10 173.82 9rsa s LYS 104 N 1.39 0.76 0.40 -0.60 1.02 -0.09 -4.80 119.74 117.82 9rsa s LYS 104 Ca -0.01 -1.01 -0.16 0.00 0.02 0.00 0.00 55.97 54.81 9rsa s LYS 104 Cb -0.19 0.30 -0.09 0.00 -0.52 0.00 0.00 37.83 37.33 9rsa s LYS 104 CO 0.01 -0.21 0.84 -1.01 -0.92 0.00 0.00 175.35 174.06 9rsa s HIS 105 N -3.77 3.39 0.20 3.18 3.76 -1.26 0.03 115.29 120.81 9rsa s HIS 105 Ca 0.05 1.33 0.09 0.00 -0.15 0.00 0.00 55.06 56.37 9rsa s HIS 105 Cb 0.05 -2.64 -0.04 0.00 1.11 0.00 0.00 32.58 31.06 9rsa s HIS 105 CO -0.10 -0.08 -0.07 0.96 -0.85 0.00 0.00 174.74 174.60 9rsa s ILE 106 N -2.23 3.27 -0.13 0.60 -4.36 -1.26 -0.75 121.20 116.35 9rsa s ILE 106 Ca 0.56 -1.70 -0.00 0.00 -0.26 0.00 0.00 60.65 59.25 9rsa s ILE 106 Cb -0.10 -2.65 0.03 0.00 1.25 0.00 0.00 42.46 40.99 9rsa s ILE 106 CO 0.21 -0.17 -0.08 -0.63 0.24 0.00 0.00 174.94 174.51 9rsa s ILE 107 N -1.84 1.15 0.29 8.37 1.01 0.55 -1.21 121.20 129.51 9rsa s ILE 107 Ca 0.26 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.58 9rsa s ILE 107 Cb -0.08 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 41.16 9rsa s ILE 107 CO 0.16 0.34 -0.10 0.68 0.00 0.00 0.00 174.94 176.02 9rsa s VAL 108 N 1.65 1.99 -0.15 2.92 -7.23 -0.85 0.37 120.40 119.11 9rsa s VAL 108 Ca 0.04 -2.21 -0.04 0.00 -1.81 0.00 0.00 61.98 57.96 9rsa s VAL 108 Cb -0.13 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.33 9rsa s VAL 108 CO -0.09 -0.31 -0.02 0.00 -0.31 0.00 0.00 175.10 174.37 9rsa s ALA 109 N -2.79 3.07 0.12 1.32 0.00 0.23 -1.24 121.76 122.48 9rsa s ALA 109 Ca 0.30 -0.81 0.07 0.00 0.00 0.00 0.00 51.96 51.52 9rsa s ALA 109 Cb 0.01 -1.59 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 9rsa s ALA 109 CO 0.13 0.25 -0.04 0.00 0.00 0.00 0.00 175.76 176.10 9rsa s GLU 111 N -2.47 1.73 0.70 0.00 2.12 -0.04 -4.90 118.70 115.85 9rsa s GLU 111 Ca 0.24 -0.96 0.00 0.00 0.36 0.00 0.00 54.97 54.61 9rsa s GLU 111 Cb -0.11 0.59 0.00 0.00 0.26 0.00 0.00 34.13 34.87 9rsa s GLU 111 CO 0.16 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 9rsa n GLY 112 N -0.46 -2.10 2.69 -1.50 0.00 -1.26 -1.87 105.19 100.68 9rsa n GLY 112 Ca -0.04 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.26 9rsa n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 9rsa s ASN 113 N -3.42 3.13 0.79 1.61 3.84 -1.26 -2.32 114.94 117.30 9rsa s ASN 113 Ca 0.00 -1.01 -0.11 0.00 0.21 0.00 0.00 52.86 51.95 9rsa s ASN 113 Cb 0.00 -0.56 0.06 0.00 -0.55 0.00 0.00 41.25 40.21 9rsa s ASN 113 CO 0.00 -0.35 1.09 -2.16 -2.79 0.00 0.00 177.10 172.88 9rsa s PRO 114 N 1.89 2.15 -0.61 0.43 0.04 -1.26 -5.08 135.00 132.56 9rsa s PRO 114 Ca 0.03 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 61.79 9rsa s PRO 114 Cb -0.17 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.50 9rsa s PRO 114 CO -0.16 -1.67 1.21 -0.47 0.04 0.00 0.00 177.00 175.96 9rsa s TYR 115 N -2.96 2.54 0.16 0.56 5.04 -0.98 -4.83 117.35 116.86 9rsa s TYR 115 Ca 0.61 0.31 0.02 0.00 -2.44 0.00 0.00 57.07 55.57 9rsa s TYR 115 Cb -0.16 -4.54 -0.05 0.00 0.35 0.00 0.00 41.96 37.56 9rsa s TYR 115 CO 0.56 -1.69 -0.01 0.14 -1.34 0.00 0.00 175.55 173.20 9rsa s VAL 116 N 5.12 0.68 0.26 3.14 -7.23 -0.78 -4.86 120.40 116.74 9rsa s VAL 116 Ca 0.41 -1.97 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 9rsa s VAL 116 Cb -0.08 -2.03 -0.11 0.00 0.56 0.00 0.00 36.38 34.73 9rsa s VAL 116 CO 0.23 -0.56 1.51 -2.84 -0.31 0.00 0.00 175.10 173.14 9rsa s PRO 117 N -3.90 4.20 0.00 4.82 0.02 -1.26 -0.86 135.00 138.03 9rsa s PRO 117 Ca 0.22 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.66 9rsa s PRO 117 Cb 0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.50 9rsa s PRO 117 CO 0.02 -0.52 0.02 1.33 -0.33 0.00 0.00 177.00 177.52 9rsa n VAL 118 N 2.36 0.00 -3.74 3.83 0.24 0.48 -4.54 118.33 116.95 9rsa n VAL 118 Ca 0.08 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.93 9rsa n VAL 118 Cb 0.39 1.02 -0.11 0.00 -1.47 0.00 0.00 33.84 33.67 9rsa n VAL 118 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 9rsa s HIS 119 N -0.61 -0.40 -0.45 6.34 5.65 -1.07 -4.67 115.29 120.07 9rsa s HIS 119 Ca 0.00 0.95 -0.18 0.00 0.25 0.00 0.00 55.06 56.08 9rsa s HIS 119 Cb 0.00 0.14 0.04 0.00 -1.18 0.00 0.00 32.58 31.58 9rsa s HIS 119 CO 0.00 -0.21 0.50 0.12 -0.65 0.00 0.00 174.74 174.50 9rsa s PHE 120 N 0.54 3.14 -0.11 3.88 2.19 -1.26 0.77 117.98 127.12 9rsa s PHE 120 Ca -0.03 -0.46 -0.13 0.00 0.33 0.00 0.00 56.93 56.64 9rsa s PHE 120 Cb -0.04 -3.14 -0.11 0.00 -1.31 0.00 0.00 43.02 38.41 9rsa s PHE 120 CO -0.03 -0.82 0.38 0.22 1.83 0.00 0.00 175.22 176.80 9rsa h ASP 121 N 8.82 -0.02 -5.50 6.13 3.58 -0.39 -3.48 116.42 125.54 9rsa h ASP 121 Ca -0.27 -0.41 0.22 0.00 0.42 0.00 0.00 57.03 57.00 9rsa h ASP 121 Cb 1.10 0.01 -0.08 0.00 1.72 0.00 0.00 39.33 42.08 9rsa h ASP 121 CO 0.86 0.67 0.63 0.00 -2.88 0.00 0.00 179.24 178.52 9rsa s ALA 122 N -2.54 -1.85 -0.01 -0.78 0.00 -0.92 -4.97 121.76 110.69 9rsa s ALA 122 Ca -0.08 0.15 0.06 0.00 0.00 0.00 0.00 51.96 52.08 9rsa s ALA 122 Cb -0.01 0.62 -0.02 0.00 0.00 0.00 0.00 23.12 23.71 9rsa s ALA 122 CO 0.31 -1.06 -0.20 -1.54 0.00 0.00 0.00 175.76 173.27 9rsa s SER 123 N -3.13 2.32 0.00 0.00 1.04 -1.26 -0.33 113.70 112.34 9rsa s SER 123 Ca 0.16 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.23 9rsa s SER 123 Cb 0.00 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.87 9rsa s SER 123 CO 0.01 0.24 0.12 1.33 0.98 0.00 0.00 173.24 175.92