#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 4.23 0.81 1.97 -1.05 -1.26 -5.06 118.70 118.34 9rsa s GLU 2 Ca 0.00 0.96 -0.11 0.00 -0.15 0.00 0.00 54.97 55.67 9rsa s GLU 2 Cb 0.00 -2.52 0.08 0.00 -0.44 0.00 0.00 34.13 31.24 9rsa s GLU 2 CO 0.00 0.18 1.09 0.95 0.95 0.00 0.00 175.26 178.43 9rsa s THR 3 N -1.87 3.12 0.46 1.83 -4.23 -1.26 -4.85 115.64 108.84 9rsa s THR 3 Ca 0.53 0.36 0.24 0.00 -1.18 0.00 0.00 61.69 61.64 9rsa s THR 3 Cb -0.13 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.00 9rsa s THR 3 CO 0.18 -0.48 2.09 0.00 -0.54 0.00 0.00 174.62 175.87 9rsa h ALA 4 N -1.18 1.48 0.08 3.99 0.00 -1.97 -1.64 119.26 120.01 9rsa h ALA 4 Ca -0.47 -0.10 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 9rsa h ALA 4 Cb 1.26 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.06 9rsa h ALA 4 CO 0.56 0.14 -1.18 0.00 0.00 0.00 0.00 179.25 178.77 9rsa h ALA 5 N 1.89 0.04 -0.30 0.00 0.00 -1.89 -2.20 119.26 116.80 9rsa h ALA 5 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 54.91 54.10 9rsa h ALA 5 Cb 0.25 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 9rsa h ALA 5 CO 0.01 0.69 -0.08 0.00 0.00 0.00 0.00 179.25 179.87 9rsa h ALA 6 N 0.32 1.32 -0.18 0.00 0.00 -1.83 -2.05 119.26 116.83 9rsa h ALA 6 Ca -0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 9rsa h ALA 6 Cb 1.84 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 9rsa h ALA 6 CO 0.23 0.46 0.02 -0.22 0.00 0.00 0.00 179.25 179.74 9rsa h LYS 7 N 0.46 0.31 -0.63 0.00 3.64 -1.25 -1.81 116.57 117.28 9rsa h LYS 7 Ca 0.09 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.48 9rsa h LYS 7 Cb 0.42 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.13 9rsa h LYS 7 CO 0.02 0.48 0.26 0.35 -2.27 0.00 0.00 179.45 178.29 9rsa h PHE 8 N 0.09 0.46 -0.21 1.91 3.57 -0.98 -1.71 116.94 120.07 9rsa h PHE 8 Ca 0.06 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 9rsa h PHE 8 Cb 0.33 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 9rsa h PHE 8 CO 0.02 0.13 0.09 0.93 -2.23 0.00 0.00 178.31 177.25 9rsa h GLU 9 N 0.46 0.31 -0.30 1.11 5.08 -1.14 -0.46 114.58 119.64 9rsa h GLU 9 Ca 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 9rsa h GLU 9 Cb 0.38 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 9rsa h GLU 9 CO -0.30 0.36 0.15 -0.09 -1.00 0.00 0.00 179.01 178.14 9rsa h ARG 10 N 0.19 0.42 -0.12 2.33 2.43 -1.07 -2.07 114.38 116.48 9rsa h ARG 10 Ca 0.07 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.01 9rsa h ARG 10 Cb 0.17 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 9rsa h ARG 10 CO -0.01 0.38 -0.64 1.96 -1.51 0.00 0.00 179.97 180.16 9rsa h GLN 11 N 0.35 0.45 0.00 0.20 4.20 -1.25 -3.41 115.11 115.66 9rsa h GLN 11 Ca 0.10 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.49 9rsa h GLN 11 Cb 0.09 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.93 9rsa h GLN 11 CO -0.01 0.94 0.00 0.72 -0.67 0.00 0.00 178.83 179.80 9rsa n HIS 12 N -3.90 0.00 -3.86 2.96 8.25 -0.19 -4.67 115.22 113.81 9rsa n HIS 12 Ca -0.04 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.07 9rsa n HIS 12 Cb 0.65 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.28 4.03 -0.38 -0.41 -1.94 -0.78 0.22 119.30 119.76 9rsa s MET 13 Ca 0.00 -0.27 0.10 0.00 -1.71 0.00 0.00 55.69 53.81 9rsa s MET 13 Cb 0.00 -3.31 0.31 0.00 2.01 0.00 0.00 34.83 33.84 9rsa s MET 13 CO 0.00 0.33 0.64 -3.47 -0.01 0.00 0.00 175.02 172.51 9rsa n ASP 14 N 3.39 0.58 0.29 3.03 4.64 0.63 -4.80 116.55 124.31 9rsa n ASP 14 Ca -0.17 -2.88 0.15 0.00 -1.38 0.00 0.00 54.79 50.52 9rsa n ASP 14 Cb 0.52 -0.63 0.87 0.00 -1.04 0.00 0.00 41.12 40.85 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 3.43 0.00 1.00 1.67 0.02 -1.73 -3.17 113.55 114.78 9rsa h SER 15 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 9rsa h SER 15 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 9rsa h SER 15 CO 0.49 0.05 0.00 -1.54 -1.14 0.00 0.00 176.83 174.68 9rsa n SER 16 N -3.65 0.68 -4.17 3.07 3.41 -1.26 -4.74 113.62 106.95 9rsa n SER 16 Ca -0.02 0.62 -0.23 0.00 -0.26 0.00 0.00 58.87 58.98 9rsa n SER 16 Cb 0.15 -0.78 -0.14 0.00 -0.26 0.00 0.00 64.21 63.17 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 -3.22 1.32 -0.46 6.66 -4.23 -1.20 -5.03 115.64 109.50 9rsa s THR 17 Ca 0.07 -0.93 0.23 0.00 -1.18 0.00 0.00 61.69 59.88 9rsa s THR 17 Cb 0.11 -1.15 0.27 0.00 1.34 0.00 0.00 72.50 73.08 9rsa s THR 17 CO 0.47 0.19 1.54 0.77 -0.54 0.00 0.00 174.62 177.05 9rsa h SER 18 N 5.23 0.00 -4.90 3.99 4.64 -1.85 -3.44 113.55 117.22 9rsa h SER 18 Ca -0.38 -0.01 0.09 0.00 -0.47 0.00 0.00 61.79 61.02 9rsa h SER 18 Cb 1.16 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.13 9rsa h SER 18 CO 0.46 0.00 0.41 0.00 -0.87 0.00 0.00 176.83 176.83 9rsa s ALA 19 N -3.22 -1.69 0.01 5.18 0.00 -1.26 -4.86 121.76 115.92 9rsa s ALA 19 Ca 0.06 0.61 -0.35 0.00 0.00 0.00 0.00 51.96 52.28 9rsa s ALA 19 Cb 0.07 0.60 -0.14 0.00 0.00 0.00 0.00 23.12 23.65 9rsa s ALA 19 CO 0.68 -0.81 1.68 0.00 0.00 0.00 0.00 175.76 177.31 9rsa n ALA 20 N -0.34 0.69 0.38 0.00 0.00 -1.26 -4.86 120.51 115.12 9rsa n ALA 20 Ca -0.10 0.39 -0.18 0.00 0.00 0.00 0.00 53.44 53.55 9rsa n ALA 20 Cb 0.62 -2.36 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 9rsa n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 9rsa h SER 21 N 7.12 -0.80 -1.52 0.00 4.64 -1.99 -3.48 113.55 117.52 9rsa h SER 21 Ca -0.47 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.86 9rsa h SER 21 Cb 1.28 0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.57 9rsa h SER 21 CO 0.90 -0.57 0.00 -1.54 -0.87 0.00 0.00 176.83 174.76 9rsa n SER 22 N -5.49 -0.14 0.07 4.97 3.41 -1.26 -5.03 113.62 110.14 9rsa n SER 22 Ca -0.14 -1.14 0.09 0.00 -0.26 0.00 0.00 58.87 57.42 9rsa n SER 22 Cb 0.38 0.25 0.39 0.00 -0.26 0.00 0.00 64.21 64.97 9rsa n SER 22 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 9rsa n SER 23 N -1.67 0.33 -0.11 4.04 3.41 -1.26 -2.01 113.62 116.35 9rsa n SER 23 Ca -0.00 0.59 0.11 0.00 -0.26 0.00 0.00 58.87 59.30 9rsa n SER 23 Cb 0.05 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.38 9rsa n SER 23 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 9rsa n ASN 24 N -1.87 1.06 -0.05 4.04 2.85 -1.26 -4.50 115.26 115.54 9rsa n ASN 24 Ca 0.02 -0.90 -0.12 0.00 -0.11 0.00 0.00 54.58 53.48 9rsa n ASN 24 Cb 0.18 0.64 -0.06 0.00 1.24 0.00 0.00 39.78 41.78 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 0.55 -1.28 -0.96 1.20 3.20 -1.80 -1.85 116.97 116.02 9rsa h TYR 25 Ca 0.00 0.06 0.09 0.00 3.14 0.00 0.00 58.73 62.02 9rsa h TYR 25 Cb 0.55 0.59 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 9rsa h TYR 25 CO 0.00 -0.47 0.62 0.00 -1.64 0.00 0.00 178.16 176.67 9rsa h ASN 27 N 1.02 0.73 0.23 0.00 2.35 -1.71 -0.57 115.58 117.63 9rsa h ASN 27 Ca 0.44 -0.24 -0.01 0.00 -0.55 0.00 0.00 56.30 55.94 9rsa h ASN 27 Cb 0.34 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.52 9rsa h ASN 27 CO -0.20 0.78 -0.11 1.56 -1.65 0.00 0.00 177.43 177.81 9rsa h GLN 28 N 0.64 -0.30 -0.44 0.81 1.08 -0.84 -3.16 115.11 112.91 9rsa h GLN 28 Ca 0.15 0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.22 9rsa h GLN 28 Cb 0.34 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 9rsa h GLN 28 CO 0.00 0.04 -0.29 0.52 -0.95 0.00 0.00 178.83 178.16 9rsa h MET 29 N -0.68 0.98 -0.52 1.46 2.86 -0.98 -1.67 114.93 116.37 9rsa h MET 29 Ca -0.03 -0.46 0.08 0.00 -2.06 0.00 0.00 59.70 57.23 9rsa h MET 29 Cb 0.48 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 9rsa h MET 29 CO 0.05 1.13 0.18 0.52 1.06 0.00 0.00 176.91 179.85 9rsa h MET 30 N 0.82 0.34 0.76 1.72 2.86 -1.22 -1.36 114.93 118.85 9rsa h MET 30 Ca 0.09 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 9rsa h MET 30 Cb 0.88 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.47 9rsa h MET 30 CO 0.08 0.22 -0.36 -0.22 1.06 0.00 0.00 176.91 177.69 9rsa h LYS 31 N 0.35 -0.98 0.00 1.72 3.64 -1.49 -0.66 116.57 119.14 9rsa h LYS 31 Ca 0.26 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 9rsa h LYS 31 Cb 0.29 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 9rsa h LYS 31 CO -0.27 -0.64 0.00 0.66 -2.27 0.00 0.00 179.45 176.93 9rsa h SER 32 N -1.13 0.00 -0.38 4.20 4.64 -1.08 0.35 113.55 120.15 9rsa h SER 32 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 9rsa h SER 32 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 9rsa h SER 32 CO 0.17 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.67 9rsa n ARG 33 N -2.90 2.15 -1.67 4.77 5.12 -0.53 -4.94 116.66 118.66 9rsa n ARG 33 Ca -0.02 -1.76 -0.13 0.00 -1.93 0.00 0.00 57.85 54.02 9rsa n ARG 33 Cb 0.12 -1.43 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 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 0.95 -4.34 -0.65 0.55 3.02 0.11 -4.83 115.26 110.07 9rsa n ASN 34 Ca 0.18 0.20 0.08 0.00 -0.03 0.00 0.00 54.58 55.00 9rsa n ASN 34 Cb 0.45 -3.16 0.25 0.00 -0.61 0.00 0.00 39.78 36.71 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 -1.57 1.91 -0.06 3.41 4.77 -0.27 -3.81 117.00 121.38 9rsa n LEU 35 Ca -0.13 -0.90 0.02 0.00 -0.03 0.00 0.00 56.01 54.96 9rsa n LEU 35 Cb 0.49 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 9rsa n LEU 35 CO 0.19 0.45 0.42 0.41 -1.33 0.00 0.00 177.39 177.52 9rsa n THR 36 N 0.51 0.77 0.14 -5.08 -1.04 -1.25 -2.27 114.28 106.07 9rsa n THR 36 Ca 0.14 -0.83 -0.07 0.00 -2.04 0.00 0.00 64.05 61.25 9rsa n THR 36 Cb 0.33 0.52 -0.04 0.00 -1.82 0.00 0.00 70.33 69.32 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 0.00 -0.42 0.00 -2.82 3.64 -1.91 -3.38 116.57 111.68 9rsa h LYS 37 Ca 0.00 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 9rsa h LYS 37 Cb 0.79 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.71 9rsa h LYS 37 CO 0.00 -0.28 -0.59 -0.25 -2.27 0.00 0.00 179.45 176.06 9rsa n ASP 38 N -3.49 1.22 -3.46 4.20 10.43 -1.26 -5.03 116.55 119.16 9rsa n ASP 38 Ca -0.05 -0.46 -0.11 0.00 2.57 0.00 0.00 54.79 56.74 9rsa n ASP 38 Cb 0.19 1.09 -0.02 0.00 1.84 0.00 0.00 41.12 44.21 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 -1.85 1.14 -0.27 -1.24 1.70 -1.26 -5.09 118.95 112.09 9rsa s ARG 39 Ca 0.01 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.56 9rsa s ARG 39 Cb 0.05 0.52 0.01 0.00 -0.57 0.00 0.00 34.95 34.96 9rsa s ARG 39 CO 0.27 -0.50 0.99 0.00 -1.08 0.00 0.00 175.30 174.98 9rsa s LYS 41 N 3.25 4.32 0.17 0.00 2.20 -0.96 -4.91 119.74 123.81 9rsa s LYS 41 Ca 0.42 1.90 -0.12 0.00 -0.36 0.00 0.00 55.97 57.81 9rsa s LYS 41 Cb -0.14 -3.51 0.07 0.00 -1.51 0.00 0.00 37.83 32.74 9rsa s LYS 41 CO 0.10 -0.50 1.73 -1.00 -0.36 0.00 0.00 175.35 175.31 9rsa h PRO 42 N 7.54 0.88 -4.36 4.03 0.13 -1.94 -3.43 132.00 134.86 9rsa h PRO 42 Ca -0.38 -0.16 -0.22 0.00 -0.87 0.00 0.00 66.00 64.37 9rsa h PRO 42 Cb 1.18 -0.14 -0.20 0.00 0.13 0.00 0.00 31.00 31.97 9rsa h PRO 42 CO 0.88 0.76 -0.71 0.08 -0.23 0.00 0.00 178.00 178.78 9rsa s VAL 43 N -5.54 0.39 -0.19 1.56 1.01 -1.26 0.36 120.40 116.73 9rsa s VAL 43 Ca -0.13 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.34 9rsa s VAL 43 Cb 0.13 -0.73 0.15 0.00 0.00 0.00 0.00 36.38 35.93 9rsa s VAL 43 CO 0.79 -0.54 1.13 0.21 0.00 0.00 0.00 175.10 176.69 9rsa s ASN 44 N -1.86 -0.24 -0.03 3.32 2.47 -0.36 -5.02 114.94 113.23 9rsa s ASN 44 Ca -0.07 0.21 0.05 0.00 0.42 0.00 0.00 52.86 53.46 9rsa s ASN 44 Cb -0.06 0.20 -0.01 0.00 -1.45 0.00 0.00 41.25 39.93 9rsa s ASN 44 CO -0.02 -0.25 -0.16 -0.89 -3.72 0.00 0.00 177.10 172.06 9rsa s THR 45 N -1.39 1.34 -0.07 -5.21 2.01 -1.26 -0.52 115.64 110.53 9rsa s THR 45 Ca 0.03 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.34 9rsa s THR 45 Cb -0.01 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 9rsa s THR 45 CO -0.03 0.38 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.87 9rsa s PHE 46 N -0.19 2.98 -0.12 4.92 0.08 -0.44 -4.24 117.98 120.97 9rsa s PHE 46 Ca 0.02 0.05 -0.02 0.00 0.12 0.00 0.00 56.93 57.10 9rsa s PHE 46 Cb -0.09 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 9rsa s PHE 46 CO 0.01 0.35 -0.06 0.08 -0.10 0.00 0.00 175.22 175.49 9rsa s VAL 47 N -0.80 3.72 -0.97 -0.44 1.01 0.60 -1.76 120.40 121.77 9rsa s VAL 47 Ca 0.12 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 9rsa s VAL 47 Cb -0.11 -2.58 0.30 0.00 0.00 0.00 0.00 36.38 33.99 9rsa s VAL 47 CO 0.02 0.53 1.38 1.41 0.00 0.00 0.00 175.10 178.44 9rsa n HIS 48 N 3.07 2.63 -3.89 5.22 -0.00 0.18 -0.27 115.22 122.16 9rsa n HIS 48 Ca -0.18 -2.91 -0.09 0.00 -0.00 0.00 0.00 57.72 54.55 9rsa n HIS 48 Cb 0.53 -1.09 -0.07 0.00 -0.00 0.00 0.00 29.99 29.36 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 -2.99 0.88 0.77 -0.41 0.41 -1.26 -4.53 118.70 111.56 9rsa s GLU 49 Ca 0.34 -1.01 -0.15 0.00 -0.41 0.00 0.00 54.97 53.74 9rsa s GLU 49 Cb 0.10 0.34 0.05 0.00 -1.78 0.00 0.00 34.13 32.83 9rsa s GLU 49 CO 0.05 -0.28 1.13 -1.13 -0.49 0.00 0.00 175.26 174.53 9rsa n SER 50 N -0.08 0.95 -0.32 -0.19 3.41 -1.26 -4.19 113.62 111.94 9rsa n SER 50 Ca -0.14 0.64 -0.05 0.00 -0.26 0.00 0.00 58.87 59.07 9rsa n SER 50 Cb 0.62 -1.48 0.08 0.00 -0.26 0.00 0.00 64.21 63.17 9rsa n SER 50 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 9rsa h LEU 51 N -0.54 1.12 -0.43 1.04 5.85 -1.98 -2.37 115.31 118.00 9rsa h LEU 51 Ca -0.47 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.19 9rsa h LEU 51 Cb 1.31 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 9rsa h LEU 51 CO 0.47 0.92 0.07 0.00 -0.34 0.00 0.00 178.44 179.56 9rsa h ALA 52 N 1.24 0.46 -0.22 1.25 0.00 -1.99 0.17 119.26 120.16 9rsa h ALA 52 Ca 0.30 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.22 9rsa h ALA 52 Cb 0.09 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 9rsa h ALA 52 CO -0.04 -0.33 -0.23 -0.44 0.00 0.00 0.00 179.25 178.21 9rsa h ASP 53 N 0.20 0.40 0.06 0.00 3.32 -1.85 -2.20 116.42 116.35 9rsa h ASP 53 Ca 0.21 -0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.86 9rsa h ASP 53 Cb 0.27 -0.11 0.02 0.00 0.22 0.00 0.00 39.33 39.73 9rsa h ASP 53 CO -0.29 0.64 -1.11 0.58 -1.72 0.00 0.00 179.24 177.34 9rsa h VAL 54 N 0.37 1.29 -0.28 -1.35 2.07 -0.85 -3.20 116.25 114.29 9rsa h VAL 54 Ca 0.06 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.23 9rsa h VAL 54 Cb 0.60 2.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 9rsa h VAL 54 CO 0.04 0.72 0.10 1.56 0.02 0.00 0.00 177.57 180.00 9rsa h GLN 55 N 0.35 0.39 0.00 1.57 4.20 -0.58 -1.62 115.11 119.41 9rsa h GLN 55 Ca -0.15 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 9rsa h GLN 55 Cb 1.77 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.47 9rsa h GLN 55 CO 0.21 0.34 -0.00 0.00 -0.67 0.00 0.00 178.83 178.71 9rsa h ALA 56 N 1.72 1.27 0.00 3.87 0.00 -1.39 -2.30 119.26 122.43 9rsa h ALA 56 Ca 0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 9rsa h ALA 56 Cb 0.11 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 9rsa h ALA 56 CO -0.01 0.00 -0.06 0.28 0.00 0.00 0.00 179.25 179.46 9rsa h VAL 57 N 0.00 0.34 0.00 0.00 2.07 -1.35 -1.46 116.25 115.85 9rsa h VAL 57 Ca -0.00 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.17 9rsa h VAL 57 Cb 0.01 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 9rsa h VAL 57 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 9rsa n SER 59 N -1.40 2.15 0.00 0.00 3.41 -0.55 -4.99 113.62 112.24 9rsa n SER 59 Ca 0.03 -2.75 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 9rsa n SER 59 Cb 0.09 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.73 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 -1.14 2.84 -2.59 4.33 6.02 -0.19 -4.98 117.38 121.67 9rsa n GLN 60 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 9rsa n GLN 60 Cb 0.54 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 2.88 4.13 0.03 -1.09 2.20 -0.89 -4.89 119.74 122.11 9rsa s LYS 61 Ca 0.00 1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 56.58 9rsa s LYS 61 Cb 0.00 -3.73 -0.05 0.00 -1.51 0.00 0.00 37.83 32.54 9rsa s LYS 61 CO 0.00 -0.82 1.20 1.21 -0.36 0.00 0.00 175.35 176.59 9rsa s ASN 62 N 1.70 7.07 0.12 1.43 3.04 -1.26 -0.50 114.94 126.54 9rsa s ASN 62 Ca 0.48 1.96 -0.00 0.00 0.04 0.00 0.00 52.86 55.33 9rsa s ASN 62 Cb -0.15 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 9rsa s ASN 62 CO 0.13 -0.50 0.02 0.68 -3.04 0.00 0.00 177.10 174.39 9rsa s VAL 63 N 1.41 0.25 0.23 -5.21 -7.23 -0.50 -4.94 120.40 104.42 9rsa s VAL 63 Ca 0.58 -1.90 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 9rsa s VAL 63 Cb -0.28 -1.92 -0.09 0.00 0.56 0.00 0.00 36.38 34.65 9rsa s VAL 63 CO 0.27 -0.61 0.91 0.00 -0.31 0.00 0.00 175.10 175.36 9rsa s ALA 64 N -3.93 3.35 0.75 1.32 0.00 -1.26 -3.06 121.76 118.93 9rsa s ALA 64 Ca 0.19 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 9rsa s ALA 64 Cb 0.07 -3.16 0.05 0.00 0.00 0.00 0.00 23.12 20.08 9rsa s ALA 64 CO -0.01 0.22 1.13 0.00 0.00 0.00 0.00 175.76 177.10 9rsa h LYS 66 N -0.83 0.17 -0.03 0.00 1.57 -1.93 -1.07 116.57 114.44 9rsa h LYS 66 Ca -0.45 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 9rsa h LYS 66 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.57 9rsa h LYS 66 CO 0.65 0.11 0.00 0.27 -0.57 0.00 0.00 179.45 179.91 9rsa n ASN 67 N -4.43 0.67 0.00 0.86 0.23 -1.26 -4.94 115.26 106.38 9rsa n ASN 67 Ca 0.09 -1.33 0.00 0.00 -0.53 0.00 0.00 54.58 52.81 9rsa n ASN 67 Cb 0.49 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.18 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 1.03 2.18 3.85 4.83 0.00 -0.41 -5.06 105.19 111.61 9rsa n GLY 68 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 9rsa n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 9rsa s GLN 69 N -0.67 3.95 -0.75 1.61 -2.07 -1.26 -4.72 119.66 115.75 9rsa s GLN 69 Ca 0.00 0.71 -0.02 0.00 -1.82 0.00 0.00 55.36 54.23 9rsa s GLN 69 Cb 0.00 -2.34 0.40 0.00 -1.09 0.00 0.00 33.01 29.98 9rsa s GLN 69 CO 0.00 0.01 2.01 0.25 -1.32 0.00 0.00 175.29 176.24 9rsa n THR 70 N -0.87 3.59 -1.01 3.63 -2.24 -1.26 -1.19 114.28 114.92 9rsa n THR 70 Ca 0.04 -3.68 0.06 0.00 -2.27 0.00 0.00 64.05 58.20 9rsa n THR 70 Cb 0.54 -1.20 0.30 0.00 -2.10 0.00 0.00 70.33 67.87 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 -0.72 4.42 -4.89 3.42 6.94 -1.26 -4.77 115.26 118.41 9rsa n ASN 71 Ca 0.58 -3.08 -0.34 0.00 -0.02 0.00 0.00 54.58 51.72 9rsa n ASN 71 Cb 0.44 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 37.20 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 -1.36 0.73 -0.19 0.00 2.02 0.30 -1.41 117.35 117.44 9rsa s TYR 73 Ca 0.30 -0.16 -0.06 0.00 -0.37 0.00 0.00 57.07 56.78 9rsa s TYR 73 Cb -0.13 -0.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.89 9rsa s TYR 73 CO 0.18 -0.06 0.02 -1.14 -1.57 0.00 0.00 175.55 172.99 9rsa s GLN 74 N 0.07 3.75 0.40 -0.62 0.74 0.34 -1.51 119.66 122.84 9rsa s GLN 74 Ca -0.01 -0.46 -0.26 0.00 0.05 0.00 0.00 55.36 54.69 9rsa s GLN 74 Cb -0.06 -3.12 -0.09 0.00 1.10 0.00 0.00 33.01 30.85 9rsa s GLN 74 CO -0.00 0.12 1.26 -1.54 -0.55 0.00 0.00 175.29 174.58 9rsa s SER 75 N 0.73 6.38 0.13 6.67 1.04 -0.04 -2.09 113.70 126.51 9rsa s SER 75 Ca 0.01 2.55 -0.16 0.00 0.48 0.00 0.00 55.95 58.83 9rsa s SER 75 Cb -0.14 -2.63 -0.01 0.00 0.10 0.00 0.00 66.02 63.34 9rsa s SER 75 CO 0.02 -0.79 1.66 1.88 0.98 0.00 0.00 173.24 176.99 9rsa h TYR 76 N 2.66 0.61 -1.81 5.02 0.05 -1.95 -3.43 116.97 118.13 9rsa h TYR 76 Ca -0.49 -0.05 -0.45 0.00 0.05 0.00 0.00 58.73 57.78 9rsa h TYR 76 Cb 1.24 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.80 9rsa h TYR 76 CO 0.54 0.56 -0.37 -1.12 -1.05 0.00 0.00 178.16 176.72 9rsa s SER 77 N -5.88 5.80 0.59 3.88 0.01 -1.26 -5.07 113.70 111.76 9rsa s SER 77 Ca -0.13 -0.27 -0.13 0.00 1.31 0.00 0.00 55.95 56.73 9rsa s SER 77 Cb 0.10 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.11 9rsa s SER 77 CO 0.75 -0.41 1.02 0.42 0.41 0.00 0.00 173.24 175.43 9rsa s THR 78 N -2.21 4.52 0.05 1.44 -4.23 -1.26 -4.52 115.64 109.43 9rsa s THR 78 Ca 0.44 0.98 -0.00 0.00 -1.18 0.00 0.00 61.69 61.93 9rsa s THR 78 Cb -0.09 -3.73 -0.04 0.00 1.34 0.00 0.00 72.50 69.98 9rsa s THR 78 CO 0.30 -0.91 -0.04 -0.04 -0.54 0.00 0.00 174.62 173.40 9rsa s MET 79 N -4.68 0.59 -0.18 3.99 -1.94 0.14 -4.85 119.30 112.37 9rsa s MET 79 Ca 0.57 -1.10 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 9rsa s MET 79 Cb -0.11 0.10 -0.01 0.00 2.01 0.00 0.00 34.83 36.82 9rsa s MET 79 CO 0.44 -0.08 1.20 0.45 -0.01 0.00 0.00 175.02 177.03 9rsa s SER 80 N -2.60 6.99 0.08 3.03 0.15 -1.26 -1.42 113.70 118.67 9rsa s SER 80 Ca 0.03 1.60 0.03 0.00 0.70 0.00 0.00 55.95 58.31 9rsa s SER 80 Cb 0.03 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 9rsa s SER 80 CO -0.07 -0.73 -0.09 0.27 1.20 0.00 0.00 173.24 173.81 9rsa s ILE 81 N 3.40 0.81 -0.13 6.45 -4.36 -0.64 0.49 121.20 127.23 9rsa s ILE 81 Ca 0.52 -1.52 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 9rsa s ILE 81 Cb -0.20 -1.20 0.01 0.00 1.25 0.00 0.00 42.46 42.33 9rsa s ILE 81 CO 0.12 -0.54 -0.19 -0.89 0.24 0.00 0.00 174.94 173.69 9rsa s THR 82 N -2.27 1.81 -0.08 8.37 2.01 -0.72 -1.34 115.64 123.42 9rsa s THR 82 Ca 0.02 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.02 9rsa s THR 82 Cb -0.04 -1.62 -0.05 0.00 0.01 0.00 0.00 72.50 70.80 9rsa s THR 82 CO -0.00 0.50 0.46 -0.62 -0.69 0.00 0.00 174.62 174.27 9rsa s ASP 83 N 0.91 6.73 -0.16 3.53 2.15 0.13 -1.33 116.67 128.62 9rsa s ASP 83 Ca -0.06 0.86 0.01 0.00 0.43 0.00 0.00 52.55 53.78 9rsa s ASP 83 Cb -0.15 -2.28 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 9rsa s ASP 83 CO -0.02 0.09 -0.14 0.00 -0.17 0.00 0.00 175.17 174.93 9rsa s ARG 85 N 1.45 2.39 0.19 0.00 6.06 -0.58 -1.22 118.95 127.23 9rsa s ARG 85 Ca 0.04 -0.60 -0.32 0.00 -2.50 0.00 0.00 55.73 52.34 9rsa s ARG 85 Cb -0.14 -2.10 -0.12 0.00 0.06 0.00 0.00 34.95 32.66 9rsa s ARG 85 CO -0.10 -0.16 1.75 -1.91 -2.50 0.00 0.00 175.30 172.38 9rsa n GLU 86 N 4.52 2.76 -1.91 5.12 2.13 0.16 -1.21 120.64 132.20 9rsa n GLU 86 Ca -0.18 1.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.34 9rsa n GLU 86 Cb 0.51 -2.86 0.06 0.00 0.27 0.00 0.00 31.44 29.42 9rsa n GLU 86 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 9rsa s THR 87 N 1.55 2.93 0.44 6.31 -4.23 0.05 -4.89 115.64 117.79 9rsa s THR 87 Ca 0.77 0.28 0.11 0.00 -1.18 0.00 0.00 61.69 61.67 9rsa s THR 87 Cb -0.51 -3.29 0.22 0.00 1.34 0.00 0.00 72.50 70.26 9rsa s THR 87 CO 0.34 -0.38 2.03 1.23 -0.54 0.00 0.00 174.62 177.29 9rsa h GLY 88 N -0.78 0.22 2.00 3.99 0.00 -1.93 -2.65 103.07 103.91 9rsa h GLY 88 Ca -0.45 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.77 9rsa h GLY 88 CO 0.64 0.10 0.00 1.76 0.00 0.00 0.00 176.54 179.04 9rsa h SER 89 N 0.20 0.00 -3.43 0.19 0.02 -1.93 -3.47 113.55 105.13 9rsa h SER 89 Ca 0.05 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.46 9rsa h SER 89 Cb 0.16 0.00 0.09 0.00 0.14 0.00 0.00 62.40 62.79 9rsa h SER 89 CO 0.00 0.00 0.85 -0.24 -1.14 0.00 0.00 176.83 176.30 9rsa n SER 90 N -2.56 3.83 -3.53 3.07 2.88 -1.00 -4.94 113.62 111.37 9rsa n SER 90 Ca 0.04 1.17 -0.21 0.00 -1.33 0.00 0.00 58.87 58.54 9rsa n SER 90 Cb 0.43 -1.60 -0.14 0.00 -0.75 0.00 0.00 64.21 62.15 9rsa n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 9rsa s LYS 91 N -0.92 0.15 0.27 -1.46 2.47 -1.25 -4.89 119.74 114.11 9rsa s LYS 91 Ca 0.61 0.10 -0.27 0.00 -1.56 0.00 0.00 55.97 54.85 9rsa s LYS 91 Cb -0.49 -1.42 -0.15 0.00 -1.46 0.00 0.00 37.83 34.31 9rsa s LYS 91 CO 0.52 -0.66 0.76 0.98 0.16 0.00 0.00 175.35 177.11 9rsa n TYR 92 N 5.31 0.37 1.06 4.03 9.36 -1.26 -1.20 117.16 134.83 9rsa n TYR 92 Ca -0.06 0.80 0.09 0.00 3.32 0.00 0.00 57.90 62.05 9rsa n TYR 92 Cb 0.49 -2.10 0.30 0.00 -0.63 0.00 0.00 39.34 37.40 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 0.82 1.80 -1.95 2.98 -0.04 -1.26 -4.93 135.00 132.41 9rsa n PRO 93 Ca 0.13 -1.21 -0.36 0.00 -0.04 0.00 0.00 63.50 62.01 9rsa n PRO 93 Cb 0.30 -1.37 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.45 7.40 -4.65 3.54 3.02 -0.34 -5.02 115.26 119.66 9rsa n ASN 94 Ca 0.15 -3.34 -0.47 0.00 -0.03 0.00 0.00 54.58 50.88 9rsa n ASN 94 Cb 0.33 -1.25 -0.05 0.00 -0.61 0.00 0.00 39.78 38.21 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 0.86 2.28 0.05 0.00 0.00 -1.26 -4.92 121.76 118.78 9rsa s ALA 96 Ca 0.80 -0.99 0.08 0.00 0.00 0.00 0.00 51.96 51.85 9rsa s ALA 96 Cb -0.74 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.52 9rsa s ALA 96 CO 0.40 0.36 -0.21 0.71 0.00 0.00 0.00 175.76 177.02 9rsa s TYR 97 N 0.04 1.87 -0.20 0.00 2.02 -1.26 -0.78 117.35 119.04 9rsa s TYR 97 Ca -0.09 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.08 9rsa s TYR 97 Cb -0.15 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 9rsa s TYR 97 CO 0.05 0.10 0.37 0.21 -1.57 0.00 0.00 175.55 174.72 9rsa s LYS 98 N -1.23 4.18 -0.21 -0.62 2.20 -0.35 -4.69 119.74 119.02 9rsa s LYS 98 Ca 0.08 0.16 -0.10 0.00 -0.36 0.00 0.00 55.97 55.75 9rsa s LYS 98 Cb -0.09 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.66 9rsa s LYS 98 CO 0.02 0.00 0.13 0.99 -0.36 0.00 0.00 175.35 176.14 9rsa s THR 99 N 1.19 5.31 -0.11 3.43 2.01 -1.26 -1.53 115.64 124.67 9rsa s THR 99 Ca 0.18 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.34 9rsa s THR 99 Cb -0.14 -3.44 0.02 0.00 0.01 0.00 0.00 72.50 68.95 9rsa s THR 99 CO 0.07 0.40 -0.09 -0.89 -0.69 0.00 0.00 174.62 173.42 9rsa s THR 100 N 0.66 1.14 -0.15 -0.82 2.01 -0.28 -4.96 115.64 113.24 9rsa s THR 100 Ca 0.07 -0.38 -0.07 0.00 0.31 0.00 0.00 61.69 61.62 9rsa s THR 100 Cb -0.12 -1.12 -0.04 0.00 0.01 0.00 0.00 72.50 71.22 9rsa s THR 100 CO 0.01 0.38 0.11 -1.58 -0.69 0.00 0.00 174.62 172.85 9rsa s GLN 101 N 1.52 3.67 0.25 4.92 2.00 -1.26 0.19 119.66 130.94 9rsa s GLN 101 Ca 0.02 -0.23 -0.20 0.00 -2.00 0.00 0.00 55.36 52.96 9rsa s GLN 101 Cb -0.13 -3.20 0.02 0.00 0.80 0.00 0.00 33.01 30.50 9rsa s GLN 101 CO -0.07 0.56 0.64 0.00 -0.50 0.00 0.00 175.29 175.92 9rsa s ALA 102 N -0.40 -1.10 -0.30 1.58 0.00 -0.45 -5.01 121.76 116.08 9rsa s ALA 102 Ca 0.11 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.82 9rsa s ALA 102 Cb -0.12 0.88 0.07 0.00 0.00 0.00 0.00 23.12 23.96 9rsa s ALA 102 CO 0.02 -0.94 -0.02 -0.80 0.00 0.00 0.00 175.76 174.01 9rsa s ASN 103 N -2.90 4.69 0.15 0.00 -0.87 -1.26 -1.61 114.94 113.13 9rsa s ASN 103 Ca 0.11 -1.59 0.01 0.00 -1.57 0.00 0.00 52.86 49.82 9rsa s ASN 103 Cb -0.04 -1.63 -0.04 0.00 -0.02 0.00 0.00 41.25 39.52 9rsa s ASN 103 CO 0.03 -0.28 0.02 -0.54 -2.57 0.00 0.00 177.10 173.76 9rsa s LYS 104 N 1.10 1.00 0.43 -0.60 1.02 -0.50 -4.77 119.74 117.42 9rsa s LYS 104 Ca -0.02 -1.47 -0.23 0.00 0.02 0.00 0.00 55.97 54.27 9rsa s LYS 104 Cb -0.20 -0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 36.98 9rsa s LYS 104 CO -0.05 -0.17 1.05 -1.01 -0.92 0.00 0.00 175.35 174.26 9rsa s HIS 105 N -3.81 3.14 0.08 3.18 3.76 -1.26 0.28 115.29 120.66 9rsa s HIS 105 Ca 0.22 1.61 0.08 0.00 -0.15 0.00 0.00 55.06 56.82 9rsa s HIS 105 Cb 0.07 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.60 9rsa s HIS 105 CO 0.02 -0.76 -0.17 0.96 -0.85 0.00 0.00 174.74 173.94 9rsa s ILE 106 N -1.77 2.91 -0.15 0.60 -4.36 -1.26 -1.24 121.20 115.93 9rsa s ILE 106 Ca 0.62 -1.34 0.00 0.00 -0.26 0.00 0.00 60.65 59.67 9rsa s ILE 106 Cb -0.20 -2.29 0.03 0.00 1.25 0.00 0.00 42.46 41.24 9rsa s ILE 106 CO 0.25 0.20 -0.11 -0.63 0.24 0.00 0.00 174.94 174.89 9rsa s ILE 107 N -1.07 1.43 0.13 8.37 1.01 0.12 -0.86 121.20 130.33 9rsa s ILE 107 Ca 0.17 -0.64 0.09 0.00 0.00 0.00 0.00 60.65 60.27 9rsa s ILE 107 Cb -0.11 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 9rsa s ILE 107 CO 0.09 0.35 -0.20 0.68 0.00 0.00 0.00 174.94 175.85 9rsa s VAL 108 N 1.53 1.80 -0.10 2.92 -7.23 -0.57 -0.40 120.40 118.36 9rsa s VAL 108 Ca 0.03 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.39 9rsa s VAL 108 Cb -0.14 -1.70 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 9rsa s VAL 108 CO -0.09 -0.14 0.25 0.00 -0.31 0.00 0.00 175.10 174.81 9rsa s ALA 109 N -1.47 3.75 0.05 1.32 0.00 0.19 -0.54 121.76 125.06 9rsa s ALA 109 Ca 0.10 -0.48 0.06 0.00 0.00 0.00 0.00 51.96 51.64 9rsa s ALA 109 Cb -0.08 -2.20 -0.04 0.00 0.00 0.00 0.00 23.12 20.80 9rsa s ALA 109 CO 0.05 0.43 -0.10 0.00 0.00 0.00 0.00 175.76 176.14 9rsa s GLU 111 N -1.75 1.09 0.46 0.00 2.56 -0.27 -4.89 118.70 115.90 9rsa s GLU 111 Ca 0.18 0.12 0.00 0.00 0.00 0.00 0.00 54.97 55.27 9rsa s GLU 111 Cb -0.11 0.51 0.00 0.00 2.00 0.00 0.00 34.13 36.53 9rsa s GLU 111 CO 0.10 -0.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.84 9rsa n GLY 112 N 0.69 -2.13 2.73 -1.50 0.00 -1.26 -2.71 105.19 101.01 9rsa n GLY 112 Ca -0.19 -1.73 -0.27 0.00 0.00 0.00 0.00 46.02 43.84 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 -3.53 2.68 0.78 1.61 3.84 -1.26 -2.39 114.94 116.66 9rsa s ASN 113 Ca 0.00 -0.71 -0.13 0.00 0.21 0.00 0.00 52.86 52.24 9rsa s ASN 113 Cb 0.00 -0.54 0.07 0.00 -0.55 0.00 0.00 41.25 40.23 9rsa s ASN 113 CO 0.00 -0.30 1.15 -2.16 -2.79 0.00 0.00 177.10 173.01 9rsa s PRO 114 N 1.90 1.96 -0.63 0.43 0.04 -1.26 -5.08 135.00 132.36 9rsa s PRO 114 Ca 0.00 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.30 9rsa s PRO 114 Cb -0.16 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.58 9rsa s PRO 114 CO -0.08 -1.93 1.15 -0.47 0.04 0.00 0.00 177.00 175.72 9rsa s TYR 115 N -2.41 2.54 0.24 0.56 5.04 -1.01 -4.90 117.35 117.42 9rsa s TYR 115 Ca 0.68 0.10 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 9rsa s TYR 115 Cb -0.24 -4.45 -0.05 0.00 0.35 0.00 0.00 41.96 37.57 9rsa s TYR 115 CO 0.50 -1.71 -0.04 0.14 -1.34 0.00 0.00 175.55 173.11 9rsa s VAL 116 N 4.94 1.28 0.19 3.14 -7.23 -1.10 -4.80 120.40 116.82 9rsa s VAL 116 Ca 0.36 -2.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.15 9rsa s VAL 116 Cb -0.09 -2.32 -0.10 0.00 0.56 0.00 0.00 36.38 34.42 9rsa s VAL 116 CO 0.20 -0.37 1.50 -2.84 -0.31 0.00 0.00 175.10 173.28 9rsa s PRO 117 N -3.80 4.24 0.00 4.82 0.02 -1.26 -1.11 135.00 137.91 9rsa s PRO 117 Ca 0.27 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.60 9rsa s PRO 117 Cb 0.04 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.42 9rsa s PRO 117 CO 0.09 -0.52 0.00 1.33 -0.33 0.00 0.00 177.00 177.57 9rsa n VAL 118 N 3.35 0.00 -3.72 3.83 0.24 0.33 -4.57 118.33 117.79 9rsa n VAL 118 Ca 0.11 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.98 9rsa n VAL 118 Cb 0.40 0.99 -0.11 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.65 -0.47 -0.43 6.34 5.65 -1.14 -4.68 115.29 119.92 9rsa s HIS 119 Ca 0.00 1.06 -0.21 0.00 0.25 0.00 0.00 55.06 56.15 9rsa s HIS 119 Cb 0.00 0.17 0.02 0.00 -1.18 0.00 0.00 32.58 31.59 9rsa s HIS 119 CO 0.00 -0.26 0.68 0.12 -0.65 0.00 0.00 174.74 174.63 9rsa s PHE 120 N 0.89 3.06 -0.15 3.88 2.19 -1.26 0.56 117.98 127.15 9rsa s PHE 120 Ca -0.06 0.07 -0.24 0.00 0.33 0.00 0.00 56.93 57.04 9rsa s PHE 120 Cb -0.06 -3.40 -0.21 0.00 -1.31 0.00 0.00 43.02 38.04 9rsa s PHE 120 CO -0.07 -0.86 0.56 0.22 1.83 0.00 0.00 175.22 176.90 9rsa h ASP 121 N 8.83 0.00 -5.96 6.13 3.58 -1.06 -3.48 116.42 124.47 9rsa h ASP 121 Ca -0.25 -0.77 0.39 0.00 0.42 0.00 0.00 57.03 56.82 9rsa h ASP 121 Cb 1.10 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.03 9rsa h ASP 121 CO 0.90 1.01 0.98 0.00 -2.88 0.00 0.00 179.24 179.25 9rsa s ALA 122 N -2.30 -2.57 0.04 -0.78 0.00 -1.01 -4.97 121.76 110.16 9rsa s ALA 122 Ca -0.18 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.48 9rsa s ALA 122 Cb -0.01 0.52 -0.03 0.00 0.00 0.00 0.00 23.12 23.60 9rsa s ALA 122 CO 0.57 -1.11 -0.24 -1.54 0.00 0.00 0.00 175.76 173.45 9rsa s SER 123 N -3.36 2.92 0.00 0.00 1.04 -1.26 0.12 113.70 113.16 9rsa s SER 123 Ca 0.21 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.09 9rsa s SER 123 Cb 0.04 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.90 9rsa s SER 123 CO -0.05 0.23 0.06 0.52 0.98 0.00 0.00 173.24 174.99