#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8rsa s GLU 2 N 0.00 4.03 0.98 1.64 -1.05 -1.26 -5.08 118.70 117.96 8rsa s GLU 2 Ca 0.00 0.56 -0.12 0.00 -0.15 0.00 0.00 54.97 55.26 8rsa s GLU 2 Cb 0.00 -2.92 0.18 0.00 -0.44 0.00 0.00 34.13 30.95 8rsa s GLU 2 CO 0.00 0.46 1.10 0.95 0.95 0.00 0.00 175.26 178.72 8rsa s THR 3 N -1.48 2.12 0.23 1.83 -4.23 -1.26 -4.84 115.64 108.01 8rsa s THR 3 Ca 0.39 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.90 8rsa s THR 3 Cb -0.15 -2.56 0.06 0.00 1.34 0.00 0.00 72.50 71.18 8rsa s THR 3 CO 0.19 -0.05 1.67 0.00 -0.54 0.00 0.00 174.62 175.90 8rsa h ALA 4 N -1.82 0.95 -0.27 3.99 0.00 -1.98 -2.02 119.26 118.12 8rsa h ALA 4 Ca -0.54 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 53.97 8rsa h ALA 4 Cb 1.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 8rsa h ALA 4 CO 0.58 0.61 -0.08 0.00 0.00 0.00 0.00 179.25 180.36 8rsa h ALA 5 N 1.14 0.37 -0.62 0.00 0.00 -1.89 -1.22 119.26 117.04 8rsa h ALA 5 Ca 0.11 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 8rsa h ALA 5 Cb 0.64 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 8rsa h ALA 5 CO 0.05 0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.77 8rsa h ALA 6 N 0.76 1.32 -0.46 0.00 0.00 -1.88 -2.36 119.26 116.64 8rsa h ALA 6 Ca 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 8rsa h ALA 6 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 8rsa h ALA 6 CO 0.03 0.52 0.23 -0.22 0.00 0.00 0.00 179.25 179.81 8rsa h LYS 7 N 0.88 0.66 -0.64 0.00 3.64 -1.22 -0.65 116.57 119.24 8rsa h LYS 7 Ca 0.21 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 8rsa h LYS 7 Cb 0.13 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 8rsa h LYS 7 CO -0.02 0.56 0.36 0.35 -2.27 0.00 0.00 179.45 178.43 8rsa h PHE 8 N 0.61 0.67 -0.17 1.91 3.57 -0.80 -1.73 116.94 121.00 8rsa h PHE 8 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 8rsa h PHE 8 Cb 0.11 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 38.63 8rsa h PHE 8 CO -0.01 0.34 0.08 0.93 -2.23 0.00 0.00 178.31 177.41 8rsa h GLU 9 N 0.69 0.25 -0.01 1.11 5.08 -1.07 0.18 114.58 120.81 8rsa h GLU 9 Ca 0.28 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.62 8rsa h GLU 9 Cb 0.13 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 8rsa h GLU 9 CO -0.16 0.31 -0.14 -0.09 -1.00 0.00 0.00 179.01 177.92 8rsa h ARG 10 N 0.13 -0.23 -0.01 2.33 2.43 -0.88 -2.17 114.38 115.98 8rsa h ARG 10 Ca 0.06 0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 8rsa h ARG 10 Cb 0.14 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 8rsa h ARG 10 CO -0.01 -0.15 -0.80 1.96 -1.51 0.00 0.00 179.97 179.46 8rsa h GLN 11 N -0.23 0.17 0.00 0.20 4.20 -1.25 -3.41 115.11 114.78 8rsa h GLN 11 Ca 0.05 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.60 8rsa h GLN 11 Cb 0.30 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.13 8rsa h GLN 11 CO -0.15 0.88 0.00 0.72 -0.67 0.00 0.00 178.83 179.61 8rsa n HIS 12 N -3.70 0.00 -4.85 2.96 8.25 0.04 -4.70 115.22 113.22 8rsa n HIS 12 Ca -0.03 -0.08 -0.33 0.00 -0.26 0.00 0.00 57.72 57.03 8rsa n HIS 12 Cb 0.76 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 31.72 8rsa n HIS 12 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 8rsa s MET 13 N -0.15 3.09 -0.42 -0.41 -1.94 -0.82 0.47 119.30 119.11 8rsa s MET 13 Ca 0.00 -0.71 0.07 0.00 -1.71 0.00 0.00 55.69 53.34 8rsa s MET 13 Cb 0.00 -2.53 0.23 0.00 2.01 0.00 0.00 34.83 34.54 8rsa s MET 13 CO 0.00 0.33 0.56 -3.47 -0.01 0.00 0.00 175.02 172.44 8rsa n ASP 14 N 3.16 -0.78 0.28 3.03 4.64 -0.03 -4.82 116.55 122.02 8rsa n ASP 14 Ca -0.18 -2.75 0.14 0.00 -1.38 0.00 0.00 54.79 50.63 8rsa n ASP 14 Cb 0.53 -0.01 0.79 0.00 -1.04 0.00 0.00 41.12 41.39 8rsa n ASP 14 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 8rsa h SER 15 N 4.43 0.00 0.93 1.67 0.02 -1.73 -3.16 113.55 115.71 8rsa h SER 15 Ca 0.07 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 8rsa h SER 15 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 8rsa h SER 15 CO 0.39 0.09 0.00 0.77 -1.14 0.00 0.00 176.83 176.93 8rsa h SER 16 N 0.00 0.00 -4.21 3.07 4.64 -1.93 -3.44 113.55 111.67 8rsa h SER 16 Ca -0.00 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 60.90 8rsa h SER 16 Cb 0.27 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.09 8rsa h SER 16 CO 0.01 0.00 -0.79 0.42 -0.87 0.00 0.00 176.83 175.60 8rsa s THR 17 N -3.33 0.90 0.17 2.95 -4.23 -1.19 -5.02 115.64 105.88 8rsa s THR 17 Ca 0.05 -0.67 0.06 0.00 -1.18 0.00 0.00 61.69 59.95 8rsa s THR 17 Cb 0.10 -0.79 -0.15 0.00 1.34 0.00 0.00 72.50 73.00 8rsa s THR 17 CO 0.46 0.12 1.38 0.28 -0.54 0.00 0.00 174.62 176.32 8rsa h SER 18 N 5.49 0.12 -4.95 3.99 0.02 -1.85 -3.43 113.55 112.94 8rsa h SER 18 Ca -0.34 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 8rsa h SER 18 Cb 1.18 -0.04 -0.13 0.00 0.14 0.00 0.00 62.40 63.55 8rsa h SER 18 CO 0.47 0.93 0.25 0.00 -1.14 0.00 0.00 176.83 177.34 8rsa s ALA 19 N -3.10 -1.64 -0.05 3.77 0.00 -1.26 -4.84 121.76 114.64 8rsa s ALA 19 Ca -0.01 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.25 8rsa s ALA 19 Cb 0.10 0.76 -0.10 0.00 0.00 0.00 0.00 23.12 23.89 8rsa s ALA 19 CO 0.81 -0.73 1.99 0.00 0.00 0.00 0.00 175.76 177.83 8rsa n ALA 20 N -0.27 1.35 0.13 0.00 0.00 -1.26 -4.90 120.51 115.56 8rsa n ALA 20 Ca -0.16 0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 8rsa n ALA 20 Cb 0.64 -2.65 -0.03 0.00 0.00 0.00 0.00 19.45 17.41 8rsa n ALA 20 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 8rsa h SER 21 N 10.80 -0.47 -2.24 0.00 4.64 -2.00 -3.48 113.55 120.80 8rsa h SER 21 Ca -0.47 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 8rsa h SER 21 Cb 1.25 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.49 8rsa h SER 21 CO 0.95 -0.25 0.00 -1.54 -0.87 0.00 0.00 176.83 175.12 8rsa n SER 22 N -3.37 0.62 0.30 4.97 3.41 -1.26 -5.03 113.62 113.25 8rsa n SER 22 Ca -0.05 -0.97 0.19 0.00 -0.26 0.00 0.00 58.87 57.79 8rsa n SER 22 Cb 0.17 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.02 8rsa n SER 22 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 8rsa h SER 23 N 0.00 0.00 0.16 4.04 4.64 -1.92 -2.18 113.55 118.29 8rsa h SER 23 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 8rsa h SER 23 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 8rsa h SER 23 CO 0.00 0.01 -0.34 -3.20 -0.87 0.00 0.00 176.83 172.43 8rsa n ASN 24 N -3.14 1.33 -0.13 4.97 2.85 -1.26 -4.46 115.26 115.41 8rsa n ASN 24 Ca -0.01 -1.08 -0.11 0.00 -0.11 0.00 0.00 54.58 53.27 8rsa n ASN 24 Cb 0.21 0.26 -0.08 0.00 1.24 0.00 0.00 39.78 41.41 8rsa n ASN 24 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 8rsa h TYR 25 N 1.54 -1.39 -0.82 1.20 3.20 -1.79 -2.16 116.97 116.75 8rsa h TYR 25 Ca 0.00 0.07 0.10 0.00 3.14 0.00 0.00 58.73 62.04 8rsa h TYR 25 Cb 0.58 0.66 -0.08 0.00 1.54 0.00 0.00 36.73 39.44 8rsa h TYR 25 CO 0.00 -0.39 0.46 0.00 -1.64 0.00 0.00 178.16 176.59 8rsa h ASN 27 N 0.75 0.43 0.14 0.00 2.35 -1.75 -0.11 115.58 117.39 8rsa h ASN 27 Ca 0.40 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 56.16 8rsa h ASN 27 Cb 0.40 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.70 8rsa h ASN 27 CO -0.26 0.30 -0.07 -0.61 -1.65 0.00 0.00 177.43 175.14 8rsa h GLN 28 N 0.55 -0.18 -0.45 0.81 5.75 -0.97 -3.19 115.11 117.42 8rsa h GLN 28 Ca 0.21 0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.63 8rsa h GLN 28 Cb 0.07 0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 8rsa h GLN 28 CO -0.12 0.16 -0.07 0.52 -2.65 0.00 0.00 178.83 176.68 8rsa h MET 29 N -0.55 0.84 -0.92 1.69 2.86 -1.26 -0.95 114.93 116.64 8rsa h MET 29 Ca -0.02 -0.30 0.01 0.00 -2.06 0.00 0.00 59.70 57.32 8rsa h MET 29 Cb 0.43 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.98 8rsa h MET 29 CO 0.03 0.93 0.61 0.52 1.06 0.00 0.00 176.91 180.06 8rsa h MET 30 N 0.68 1.22 -0.05 1.72 2.86 -1.14 -1.61 114.93 118.61 8rsa h MET 30 Ca 0.12 -0.08 -0.07 0.00 -2.06 0.00 0.00 59.70 57.61 8rsa h MET 30 Cb 0.60 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.99 8rsa h MET 30 CO 0.04 0.81 -0.24 -0.22 1.06 0.00 0.00 176.91 178.36 8rsa h LYS 31 N 1.25 0.25 0.00 1.72 3.64 -1.49 0.43 116.57 122.37 8rsa h LYS 31 Ca 0.34 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 8rsa h LYS 31 Cb -0.14 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.72 8rsa h LYS 31 CO -0.07 0.86 -0.06 0.66 -2.27 0.00 0.00 179.45 178.56 8rsa h SER 32 N -0.30 0.00 -0.13 4.20 4.64 -1.05 -1.24 113.55 119.67 8rsa h SER 32 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 8rsa h SER 32 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 8rsa h SER 32 CO 0.05 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.61 8rsa n ARG 33 N -3.26 1.75 -1.78 4.77 5.12 -0.62 -4.94 116.66 117.71 8rsa n ARG 33 Ca -0.01 -1.12 -0.10 0.00 -1.93 0.00 0.00 57.85 54.70 8rsa n ARG 33 Cb 0.27 -1.42 -0.02 0.00 -1.16 0.00 0.00 32.46 30.12 8rsa n ARG 33 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 8rsa n ASN 34 N 0.34 -3.73 -0.68 0.55 4.13 -0.47 -4.88 115.26 110.53 8rsa n ASN 34 Ca 0.17 0.11 0.11 0.00 1.68 0.00 0.00 54.58 56.65 8rsa n ASN 34 Cb 0.35 -2.59 0.34 0.00 -1.54 0.00 0.00 39.78 36.34 8rsa n ASN 34 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 8rsa n LEU 35 N -1.29 2.04 -0.07 3.41 4.77 0.13 -3.89 117.00 122.11 8rsa n LEU 35 Ca -0.11 -0.84 0.04 0.00 -0.03 0.00 0.00 56.01 55.07 8rsa n LEU 35 Cb 0.47 -0.12 0.05 0.00 -2.33 0.00 0.00 43.42 41.49 8rsa n LEU 35 CO 0.14 0.42 0.48 0.35 -1.33 0.00 0.00 177.39 177.46 8rsa n THR 36 N 0.57 1.16 0.04 -5.08 -2.24 -1.22 -2.54 114.28 104.97 8rsa n THR 36 Ca 0.17 -1.30 -0.02 0.00 -2.27 0.00 0.00 64.05 60.62 8rsa n THR 36 Cb 0.39 0.27 -0.01 0.00 -2.10 0.00 0.00 70.33 68.88 8rsa n THR 36 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 8rsa h LYS 37 N 0.00 -0.12 0.00 -0.78 3.64 -1.90 -3.36 116.57 114.04 8rsa h LYS 37 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 8rsa h LYS 37 Cb 0.81 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 8rsa h LYS 37 CO 0.00 -0.08 -1.36 -0.25 -2.27 0.00 0.00 179.45 175.49 8rsa n ASP 38 N -2.61 0.74 -3.56 4.20 10.43 -1.26 -5.00 116.55 119.49 8rsa n ASP 38 Ca -0.02 -0.50 -0.08 0.00 2.57 0.00 0.00 54.79 56.77 8rsa n ASP 38 Cb 0.06 1.42 -0.02 0.00 1.84 0.00 0.00 41.12 44.42 8rsa n ASP 38 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 8rsa s ARG 39 N -3.04 1.02 -0.29 -1.24 1.70 -1.26 -5.10 118.95 110.74 8rsa s ARG 39 Ca 0.00 -0.44 -0.29 0.00 -0.47 0.00 0.00 55.73 54.53 8rsa s ARG 39 Cb 0.13 0.43 0.01 0.00 -0.57 0.00 0.00 34.95 34.95 8rsa s ARG 39 CO 0.79 -0.45 1.23 0.00 -1.08 0.00 0.00 175.30 175.78 8rsa s LYS 41 N 3.95 4.38 0.15 0.00 2.20 -1.05 -4.94 119.74 124.43 8rsa s LYS 41 Ca 0.53 1.96 -0.09 0.00 -0.36 0.00 0.00 55.97 58.00 8rsa s LYS 41 Cb -0.16 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 8rsa s LYS 41 CO 0.20 -0.31 1.47 -1.00 -0.36 0.00 0.00 175.35 175.35 8rsa h PRO 42 N 6.37 0.84 -4.04 4.03 0.13 -1.94 -3.43 132.00 133.97 8rsa h PRO 42 Ca -0.43 -0.48 -0.22 0.00 -0.87 0.00 0.00 66.00 64.00 8rsa h PRO 42 Cb 1.21 0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.13 8rsa h PRO 42 CO 0.82 1.12 -0.72 0.08 -0.23 0.00 0.00 178.00 179.07 8rsa s VAL 43 N -4.26 0.18 -0.17 1.56 1.01 -1.26 -0.17 120.40 117.29 8rsa s VAL 43 Ca -0.10 -0.57 -0.28 0.00 0.00 0.00 0.00 61.98 61.03 8rsa s VAL 43 Cb 0.11 -0.25 0.09 0.00 0.00 0.00 0.00 36.38 36.33 8rsa s VAL 43 CO 0.87 -0.25 0.81 0.21 0.00 0.00 0.00 175.10 176.74 8rsa s ASN 44 N -0.87 -0.60 -0.04 3.32 2.47 -0.57 -5.01 114.94 113.64 8rsa s ASN 44 Ca -0.08 0.91 0.05 0.00 0.42 0.00 0.00 52.86 54.17 8rsa s ASN 44 Cb -0.06 0.84 -0.01 0.00 -1.45 0.00 0.00 41.25 40.57 8rsa s ASN 44 CO -0.00 -0.38 -0.20 -0.89 -3.72 0.00 0.00 177.10 171.91 8rsa s THR 45 N -0.46 1.65 -0.14 -5.21 2.01 -1.26 -0.50 115.64 111.74 8rsa s THR 45 Ca -0.04 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.07 8rsa s THR 45 Cb -0.02 -1.40 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 8rsa s THR 45 CO 0.03 0.47 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.05 8rsa s PHE 46 N -0.15 3.07 -0.17 4.92 0.08 -0.59 -4.42 117.98 120.72 8rsa s PHE 46 Ca -0.01 -0.13 -0.11 0.00 0.12 0.00 0.00 56.93 56.80 8rsa s PHE 46 Cb -0.11 -1.92 -0.05 0.00 -0.57 0.00 0.00 43.02 40.37 8rsa s PHE 46 CO 0.02 0.12 0.19 0.08 -0.10 0.00 0.00 175.22 175.53 8rsa s VAL 47 N 0.01 5.38 -1.09 -0.44 1.01 0.18 -2.01 120.40 123.42 8rsa s VAL 47 Ca 0.02 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 8rsa s VAL 47 Cb -0.13 -3.52 0.28 0.00 0.00 0.00 0.00 36.38 33.01 8rsa s VAL 47 CO 0.02 0.45 1.92 1.41 0.00 0.00 0.00 175.10 178.90 8rsa n HIS 48 N 3.28 2.70 -4.14 5.22 -0.00 0.36 -0.85 115.22 121.79 8rsa n HIS 48 Ca -0.15 -2.61 -0.11 0.00 -0.00 0.00 0.00 57.72 54.85 8rsa n HIS 48 Cb 0.52 -1.34 -0.09 0.00 -0.00 0.00 0.00 29.99 29.08 8rsa n HIS 48 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 8rsa s GLU 49 N -3.56 1.16 0.65 -0.41 0.41 -1.26 -4.60 118.70 111.09 8rsa s GLU 49 Ca 0.41 -1.50 -0.16 0.00 -0.41 0.00 0.00 54.97 53.31 8rsa s GLU 49 Cb 0.18 0.29 -0.00 0.00 -1.78 0.00 0.00 34.13 32.82 8rsa s GLU 49 CO -0.11 -0.39 1.15 -1.54 -0.49 0.00 0.00 175.26 173.89 8rsa s SER 50 N -3.10 4.98 0.23 -0.19 1.04 -1.26 -4.21 113.70 111.20 8rsa s SER 50 Ca 0.32 2.16 -0.06 0.00 0.48 0.00 0.00 55.95 58.85 8rsa s SER 50 Cb 0.06 -2.57 0.32 0.00 0.10 0.00 0.00 66.02 63.93 8rsa s SER 50 CO 0.08 -1.72 1.83 0.25 0.98 0.00 0.00 173.24 174.66 8rsa h LEU 51 N 0.24 0.70 -1.10 2.42 5.85 -1.98 -1.35 115.31 120.09 8rsa h LEU 51 Ca -0.48 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 8rsa h LEU 51 Cb 1.27 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.16 8rsa h LEU 51 CO 0.54 0.44 0.23 0.00 -0.34 0.00 0.00 178.44 179.30 8rsa h ALA 52 N 1.40 1.29 -0.45 1.25 0.00 -1.98 0.30 119.26 121.07 8rsa h ALA 52 Ca 0.36 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 8rsa h ALA 52 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 8rsa h ALA 52 CO -0.20 0.52 -0.12 -0.44 0.00 0.00 0.00 179.25 179.01 8rsa h ASP 53 N 0.85 0.82 -0.01 0.00 3.32 -1.67 -0.84 116.42 118.88 8rsa h ASP 53 Ca 0.20 -0.25 -0.22 0.00 0.02 0.00 0.00 57.03 56.78 8rsa h ASP 53 Cb 0.18 -0.22 0.02 0.00 0.22 0.00 0.00 39.33 39.52 8rsa h ASP 53 CO -0.02 0.95 -0.85 0.58 -1.72 0.00 0.00 179.24 178.19 8rsa h VAL 54 N 0.74 1.34 -0.86 -1.35 2.07 -0.75 -3.19 116.25 114.24 8rsa h VAL 54 Ca 0.12 -2.15 0.06 0.00 0.82 0.00 0.00 66.70 65.55 8rsa h VAL 54 Cb 0.62 2.43 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 8rsa h VAL 54 CO 0.04 0.65 0.56 1.56 0.02 0.00 0.00 177.57 180.40 8rsa h GLN 55 N 0.21 0.93 -0.15 1.57 4.20 -0.32 -1.38 115.11 120.19 8rsa h GLN 55 Ca -0.10 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.59 8rsa h GLN 55 Cb 1.52 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 8rsa h GLN 55 CO 0.17 0.62 0.18 0.00 -0.67 0.00 0.00 178.83 179.13 8rsa h ALA 56 N 1.53 1.70 0.00 3.87 0.00 -1.13 -2.76 119.26 122.47 8rsa h ALA 56 Ca 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 8rsa h ALA 56 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 8rsa h ALA 56 CO -0.13 -0.26 -0.02 0.28 0.00 0.00 0.00 179.25 179.12 8rsa h VAL 57 N 0.00 0.71 0.00 0.00 2.07 -1.33 -1.56 116.25 116.14 8rsa h VAL 57 Ca 0.07 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.50 8rsa h VAL 57 Cb 0.43 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 8rsa h VAL 57 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 8rsa n SER 59 N -1.38 2.01 0.00 0.00 3.41 -0.59 -5.01 113.62 112.06 8rsa n SER 59 Ca 0.02 -3.01 0.00 0.00 -0.26 0.00 0.00 58.87 55.62 8rsa n SER 59 Cb 0.05 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 8rsa n SER 59 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 8rsa n GLN 60 N -1.23 0.89 -2.76 4.33 6.02 0.20 -5.00 117.38 119.83 8rsa n GLN 60 Ca 0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.71 8rsa n GLN 60 Cb 0.66 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.89 8rsa n GLN 60 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 8rsa s LYS 61 N 3.45 4.16 0.00 -1.09 2.20 -1.01 -4.90 119.74 122.56 8rsa s LYS 61 Ca 0.00 1.08 -0.30 0.00 -0.36 0.00 0.00 55.97 56.39 8rsa s LYS 61 Cb 0.00 -3.68 -0.04 0.00 -1.51 0.00 0.00 37.83 32.60 8rsa s LYS 61 CO 0.00 -0.67 1.19 1.21 -0.36 0.00 0.00 175.35 176.72 8rsa s ASN 62 N 1.40 7.08 0.23 1.43 3.04 -1.26 0.15 114.94 127.01 8rsa s ASN 62 Ca 0.40 1.91 0.00 0.00 0.04 0.00 0.00 52.86 55.21 8rsa s ASN 62 Cb -0.14 -2.57 -0.04 0.00 -1.54 0.00 0.00 41.25 36.95 8rsa s ASN 62 CO 0.09 -0.51 0.12 0.68 -3.04 0.00 0.00 177.10 174.44 8rsa s VAL 63 N 1.59 0.25 0.27 -5.21 -7.23 0.20 -4.93 120.40 105.34 8rsa s VAL 63 Ca 0.57 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.45 8rsa s VAL 63 Cb -0.27 -2.56 -0.09 0.00 0.56 0.00 0.00 36.38 34.02 8rsa s VAL 63 CO 0.26 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 176.02 8rsa s ALA 64 N -3.97 3.32 0.92 1.32 0.00 -1.26 -3.16 121.76 118.92 8rsa s ALA 64 Ca 0.38 0.66 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 8rsa s ALA 64 Cb 0.07 -3.23 0.18 0.00 0.00 0.00 0.00 23.12 20.14 8rsa s ALA 64 CO 0.13 0.12 1.27 0.00 0.00 0.00 0.00 175.76 177.28 8rsa h LYS 66 N -1.45 0.00 -0.03 0.00 1.57 -1.93 -1.08 116.57 113.65 8rsa h LYS 66 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 8rsa h LYS 66 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 8rsa h LYS 66 CO 0.41 0.04 0.00 0.27 -0.57 0.00 0.00 179.45 179.60 8rsa n ASN 67 N -4.33 0.56 0.00 0.86 0.23 -1.26 -4.90 115.26 106.42 8rsa n ASN 67 Ca -0.03 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 8rsa n ASN 67 Cb 0.12 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 8rsa n ASN 67 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 8rsa n GLY 68 N 1.00 1.61 3.86 4.83 0.00 -0.41 -5.04 105.19 111.04 8rsa n GLY 68 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 8rsa n GLY 68 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 8rsa s GLN 69 N -0.45 3.91 -0.71 1.61 -2.07 -1.26 -4.72 119.66 115.97 8rsa s GLN 69 Ca 0.00 0.56 -0.01 0.00 -1.82 0.00 0.00 55.36 54.09 8rsa s GLN 69 Cb 0.00 -2.43 0.41 0.00 -1.09 0.00 0.00 33.01 29.89 8rsa s GLN 69 CO 0.00 0.10 1.92 0.25 -1.32 0.00 0.00 175.29 176.24 8rsa n THR 70 N -0.68 3.46 -0.88 3.63 -2.24 -1.26 0.10 114.28 116.40 8rsa n THR 70 Ca 0.03 -3.74 0.08 0.00 -2.27 0.00 0.00 64.05 58.14 8rsa n THR 70 Cb 0.53 -1.20 0.34 0.00 -2.10 0.00 0.00 70.33 67.91 8rsa n THR 70 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 8rsa n ASN 71 N -0.71 4.90 -4.91 3.42 6.94 -1.26 -4.79 115.26 118.85 8rsa n ASN 71 Ca 0.56 -2.88 -0.32 0.00 -0.02 0.00 0.00 54.58 51.92 8rsa n ASN 71 Cb 0.49 -0.61 -0.04 0.00 -2.36 0.00 0.00 39.78 37.26 8rsa n ASN 71 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 8rsa s TYR 73 N -1.49 0.13 -0.17 0.00 2.02 0.20 -0.63 117.35 117.41 8rsa s TYR 73 Ca 0.34 0.00 -0.07 0.00 -0.37 0.00 0.00 57.07 56.98 8rsa s TYR 73 Cb -0.13 -0.14 -0.04 0.00 -0.40 0.00 0.00 41.96 41.25 8rsa s TYR 73 CO 0.25 -0.03 0.06 -1.14 -1.57 0.00 0.00 175.55 173.11 8rsa s GLN 74 N 0.27 3.83 0.40 -0.62 0.74 0.12 -0.84 119.66 123.56 8rsa s GLN 74 Ca -0.02 -0.34 -0.26 0.00 0.05 0.00 0.00 55.36 54.79 8rsa s GLN 74 Cb -0.04 -3.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.82 8rsa s GLN 74 CO -0.01 0.36 1.28 -1.54 -0.55 0.00 0.00 175.29 174.83 8rsa s SER 75 N 0.13 6.38 0.19 6.67 1.04 -0.29 -2.41 113.70 125.41 8rsa s SER 75 Ca 0.05 2.60 -0.10 0.00 0.48 0.00 0.00 55.95 58.98 8rsa s SER 75 Cb -0.12 -2.63 0.10 0.00 0.10 0.00 0.00 66.02 63.47 8rsa s SER 75 CO 0.01 -0.80 1.75 1.88 0.98 0.00 0.00 173.24 177.06 8rsa h TYR 76 N 2.72 1.01 -2.07 5.02 0.05 -1.95 -3.43 116.97 118.33 8rsa h TYR 76 Ca -0.49 -0.07 -0.51 0.00 0.05 0.00 0.00 58.73 57.70 8rsa h TYR 76 Cb 1.24 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 38.63 8rsa h TYR 76 CO 0.54 0.79 -0.52 -1.12 -1.05 0.00 0.00 178.16 176.79 8rsa s SER 77 N -6.18 5.24 0.51 3.88 0.01 -1.26 -5.08 113.70 110.83 8rsa s SER 77 Ca -0.13 -0.42 -0.19 0.00 1.31 0.00 0.00 55.95 56.52 8rsa s SER 77 Cb 0.14 -1.14 -0.07 0.00 0.21 0.00 0.00 66.02 65.16 8rsa s SER 77 CO 0.81 -0.15 1.03 0.42 0.41 0.00 0.00 173.24 175.76 8rsa s THR 78 N -2.24 3.88 0.10 1.44 -4.23 -1.26 -4.56 115.64 108.78 8rsa s THR 78 Ca 0.35 1.07 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 8rsa s THR 78 Cb -0.07 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.28 8rsa s THR 78 CO 0.24 -0.35 -0.14 -0.04 -0.54 0.00 0.00 174.62 173.79 8rsa s MET 79 N -3.53 0.93 -0.15 3.99 -1.94 0.11 -4.86 119.30 113.86 8rsa s MET 79 Ca 0.65 -1.13 -0.29 0.00 -1.71 0.00 0.00 55.69 53.21 8rsa s MET 79 Cb -0.15 -0.85 -0.01 0.00 2.01 0.00 0.00 34.83 35.83 8rsa s MET 79 CO 0.25 0.17 1.05 0.45 -0.01 0.00 0.00 175.02 176.93 8rsa s SER 80 N -2.19 7.16 0.06 3.03 0.15 -1.26 -1.28 113.70 119.38 8rsa s SER 80 Ca 0.05 1.51 0.01 0.00 0.70 0.00 0.00 55.95 58.21 8rsa s SER 80 Cb -0.07 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.66 8rsa s SER 80 CO 0.02 -0.56 -0.05 0.27 1.20 0.00 0.00 173.24 174.13 8rsa s ILE 81 N 2.54 0.42 -0.14 6.45 -4.36 -0.34 -0.49 121.20 125.28 8rsa s ILE 81 Ca 0.48 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 59.22 8rsa s ILE 81 Cb -0.18 -1.33 0.01 0.00 1.25 0.00 0.00 42.46 42.22 8rsa s ILE 81 CO 0.14 -0.82 -0.19 -0.89 0.24 0.00 0.00 174.94 173.42 8rsa s THR 82 N -3.22 1.86 -0.13 8.37 2.01 -0.85 -0.85 115.64 122.83 8rsa s THR 82 Ca 0.04 -0.84 -0.16 0.00 0.31 0.00 0.00 61.69 61.04 8rsa s THR 82 Cb 0.03 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.82 8rsa s THR 82 CO -0.06 0.51 0.39 -0.62 -0.69 0.00 0.00 174.62 174.15 8rsa s ASP 83 N 1.04 6.58 -0.16 3.53 2.15 0.15 -1.54 116.67 128.43 8rsa s ASP 83 Ca -0.03 0.69 0.01 0.00 0.43 0.00 0.00 52.55 53.65 8rsa s ASP 83 Cb -0.14 -2.24 0.01 0.00 -0.30 0.00 0.00 42.92 40.25 8rsa s ASP 83 CO -0.05 0.07 -0.19 0.00 -0.17 0.00 0.00 175.17 174.83 8rsa s ARG 85 N 0.95 1.03 0.20 0.00 6.06 -0.83 -1.50 118.95 124.86 8rsa s ARG 85 Ca -0.03 -0.16 -0.31 0.00 -2.50 0.00 0.00 55.73 52.72 8rsa s ARG 85 Cb -0.15 -1.02 -0.11 0.00 0.06 0.00 0.00 34.95 33.74 8rsa s ARG 85 CO -0.04 -0.09 1.62 -2.00 -2.50 0.00 0.00 175.30 172.29 8rsa s GLU 86 N 1.02 4.18 0.59 5.12 2.12 0.77 -0.52 118.70 131.97 8rsa s GLU 86 Ca -0.09 2.47 -0.06 0.00 0.36 0.00 0.00 54.97 57.64 8rsa s GLU 86 Cb -0.14 -3.11 0.00 0.00 0.26 0.00 0.00 34.13 31.14 8rsa s GLU 86 CO -0.00 -0.65 0.91 0.95 -0.54 0.00 0.00 175.26 175.93 8rsa s THR 87 N 0.99 3.78 0.27 -1.70 -4.23 -0.69 -4.88 115.64 109.18 8rsa s THR 87 Ca 0.71 0.09 -0.00 0.00 -1.18 0.00 0.00 61.69 61.30 8rsa s THR 87 Cb -0.46 -3.50 0.26 0.00 1.34 0.00 0.00 72.50 70.14 8rsa s THR 87 CO 0.34 -0.54 1.83 1.23 -0.54 0.00 0.00 174.62 176.94 8rsa h GLY 88 N -0.19 1.54 2.00 3.99 0.00 -1.94 -2.76 103.07 105.72 8rsa h GLY 88 Ca -0.45 -0.39 -0.11 0.00 0.00 0.00 0.00 47.33 46.37 8rsa h GLY 88 CO 0.61 0.15 -0.54 1.76 0.00 0.00 0.00 176.54 178.52 8rsa h SER 89 N 0.93 0.00 -1.13 0.19 0.02 -1.94 -3.47 113.55 108.15 8rsa h SER 89 Ca 0.47 0.00 -0.74 0.00 -0.84 0.00 0.00 61.79 60.68 8rsa h SER 89 Cb 0.46 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.07 8rsa h SER 89 CO -0.26 0.54 -0.06 -0.24 -1.14 0.00 0.00 176.83 175.67 8rsa n SER 90 N -3.82 -0.14 -3.53 3.07 2.88 -1.04 -4.98 113.62 106.06 8rsa n SER 90 Ca -0.01 1.15 -0.19 0.00 -1.33 0.00 0.00 58.87 58.48 8rsa n SER 90 Cb 0.56 -0.97 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 8rsa n SER 90 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 8rsa s LYS 91 N -0.30 0.16 0.21 -1.46 2.47 -1.19 -4.91 119.74 114.71 8rsa s LYS 91 Ca 0.81 0.20 -0.31 0.00 -1.56 0.00 0.00 55.97 55.12 8rsa s LYS 91 Cb -1.12 -1.20 -0.15 0.00 -1.46 0.00 0.00 37.83 33.90 8rsa s LYS 91 CO 0.56 -0.62 1.03 0.98 0.16 0.00 0.00 175.35 177.46 8rsa n TYR 92 N 5.31 1.03 0.88 4.03 9.36 -1.26 -0.35 117.16 136.17 8rsa n TYR 92 Ca -0.06 0.74 0.10 0.00 3.32 0.00 0.00 57.90 62.01 8rsa n TYR 92 Cb 0.49 -2.22 0.30 0.00 -0.63 0.00 0.00 39.34 37.28 8rsa n TYR 92 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 8rsa n PRO 93 N 1.33 1.98 -2.54 2.98 -0.04 -1.26 -4.94 135.00 132.51 8rsa n PRO 93 Ca 0.14 -1.49 -0.42 0.00 -0.04 0.00 0.00 63.50 61.69 8rsa n PRO 93 Cb 0.26 -1.42 0.01 0.00 -0.04 0.00 0.00 33.50 32.31 8rsa n PRO 93 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 8rsa n ASN 94 N 0.71 6.19 -4.69 3.54 3.02 0.52 -4.99 115.26 119.56 8rsa n ASN 94 Ca 0.17 -3.27 -0.42 0.00 -0.03 0.00 0.00 54.58 51.02 8rsa n ASN 94 Cb 0.41 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.19 8rsa n ASN 94 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 8rsa s ALA 96 N 2.66 2.54 0.12 0.00 0.00 -1.26 -4.90 121.76 120.93 8rsa s ALA 96 Ca 0.76 -0.96 0.07 0.00 0.00 0.00 0.00 51.96 51.83 8rsa s ALA 96 Cb -0.42 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 21.66 8rsa s ALA 96 CO 0.33 0.41 -0.17 0.71 0.00 0.00 0.00 175.76 177.05 8rsa s TYR 97 N -0.20 1.58 -0.11 0.00 2.02 -1.26 -1.70 117.35 117.68 8rsa s TYR 97 Ca -0.00 -0.49 -0.12 0.00 -0.37 0.00 0.00 57.07 56.09 8rsa s TYR 97 Cb -0.13 -0.83 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 8rsa s TYR 97 CO 0.03 0.20 0.27 0.21 -1.57 0.00 0.00 175.55 174.69 8rsa s LYS 98 N -2.44 3.94 -0.25 -0.62 2.20 0.32 -4.71 119.74 118.19 8rsa s LYS 98 Ca 0.09 0.09 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 8rsa s LYS 98 Cb -0.07 -3.31 -0.01 0.00 -1.51 0.00 0.00 37.83 32.94 8rsa s LYS 98 CO 0.04 0.51 0.02 0.99 -0.36 0.00 0.00 175.35 176.55 8rsa s THR 99 N -0.34 3.76 -0.16 3.43 2.01 -1.26 -1.96 115.64 121.11 8rsa s THR 99 Ca 0.17 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.70 8rsa s THR 99 Cb -0.14 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.60 8rsa s THR 99 CO 0.06 0.30 -0.18 -0.89 -0.69 0.00 0.00 174.62 173.22 8rsa s THR 100 N 1.51 1.86 -0.17 -0.82 2.01 -0.77 -4.95 115.64 114.31 8rsa s THR 100 Ca 0.05 -0.82 -0.10 0.00 0.31 0.00 0.00 61.69 61.13 8rsa s THR 100 Cb -0.15 -1.70 -0.05 0.00 0.01 0.00 0.00 72.50 70.61 8rsa s THR 100 CO 0.00 0.51 0.17 -1.58 -0.69 0.00 0.00 174.62 173.03 8rsa s GLN 101 N 1.34 4.02 0.24 4.92 2.00 -1.26 0.33 119.66 131.26 8rsa s GLN 101 Ca 0.04 -0.12 -0.15 0.00 -2.00 0.00 0.00 55.36 53.13 8rsa s GLN 101 Cb -0.13 -3.36 0.01 0.00 0.80 0.00 0.00 33.01 30.33 8rsa s GLN 101 CO -0.12 0.41 0.53 0.00 -0.50 0.00 0.00 175.29 175.62 8rsa s ALA 102 N 0.01 -0.60 -0.32 1.58 0.00 -0.03 -5.00 121.76 117.41 8rsa s ALA 102 Ca 0.12 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.48 8rsa s ALA 102 Cb -0.12 0.96 0.08 0.00 0.00 0.00 0.00 23.12 24.04 8rsa s ALA 102 CO 0.01 -0.87 0.01 -0.80 0.00 0.00 0.00 175.76 174.11 8rsa s ASN 103 N -2.96 4.77 0.19 0.00 -0.87 -1.26 -1.20 114.94 113.61 8rsa s ASN 103 Ca 0.17 -1.69 -0.01 0.00 -1.57 0.00 0.00 52.86 49.76 8rsa s ASN 103 Cb -0.02 -1.65 -0.04 0.00 -0.02 0.00 0.00 41.25 39.52 8rsa s ASN 103 CO 0.05 -0.32 0.10 -0.54 -2.57 0.00 0.00 177.10 173.83 8rsa s LYS 104 N 1.08 1.14 0.39 -0.60 1.02 -0.40 -4.78 119.74 117.59 8rsa s LYS 104 Ca 0.00 -1.59 -0.23 0.00 0.02 0.00 0.00 55.97 54.17 8rsa s LYS 104 Cb -0.20 0.16 -0.10 0.00 -0.52 0.00 0.00 37.83 37.17 8rsa s LYS 104 CO -0.05 -0.33 0.98 -1.01 -0.92 0.00 0.00 175.35 174.03 8rsa s HIS 105 N -4.05 3.40 0.24 3.18 3.76 -1.26 0.08 115.29 120.64 8rsa s HIS 105 Ca 0.34 1.67 0.08 0.00 -0.15 0.00 0.00 55.06 57.00 8rsa s HIS 105 Cb 0.07 -2.96 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 8rsa s HIS 105 CO 0.09 -0.20 0.05 0.96 -0.85 0.00 0.00 174.74 174.79 8rsa s ILE 106 N -1.85 3.77 -0.10 0.60 -4.36 -1.26 -1.44 121.20 116.55 8rsa s ILE 106 Ca 0.58 -1.68 -0.00 0.00 -0.26 0.00 0.00 60.65 59.28 8rsa s ILE 106 Cb -0.16 -3.00 0.02 0.00 1.25 0.00 0.00 42.46 40.58 8rsa s ILE 106 CO 0.21 -0.32 -0.06 -0.63 0.24 0.00 0.00 174.94 174.38 8rsa s ILE 107 N -2.16 0.89 0.15 8.37 1.01 0.84 -1.13 121.20 129.18 8rsa s ILE 107 Ca 0.31 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.83 8rsa s ILE 107 Cb -0.07 -0.93 -0.04 0.00 0.01 0.00 0.00 42.46 41.42 8rsa s ILE 107 CO 0.21 0.34 -0.19 0.68 0.00 0.00 0.00 174.94 175.99 8rsa s VAL 108 N 1.71 1.80 -0.15 2.92 -7.23 -0.02 -1.42 120.40 118.01 8rsa s VAL 108 Ca 0.04 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.21 8rsa s VAL 108 Cb -0.13 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 8rsa s VAL 108 CO -0.07 -0.28 0.32 0.00 -0.31 0.00 0.00 175.10 174.76 8rsa s ALA 109 N -1.91 3.58 0.06 1.32 0.00 -0.27 -0.63 121.76 123.91 8rsa s ALA 109 Ca 0.14 -0.42 0.08 0.00 0.00 0.00 0.00 51.96 51.76 8rsa s ALA 109 Cb -0.06 -2.42 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 8rsa s ALA 109 CO 0.06 0.10 -0.18 0.00 0.00 0.00 0.00 175.76 175.75 8rsa s GLU 111 N -1.67 0.85 0.38 0.00 2.02 -0.52 -4.89 118.70 114.87 8rsa s GLU 111 Ca 0.16 0.14 0.00 0.00 0.02 0.00 0.00 54.97 55.29 8rsa s GLU 111 Cb -0.11 0.39 0.00 0.00 0.10 0.00 0.00 34.13 34.52 8rsa s GLU 111 CO 0.07 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.52 8rsa n GLY 112 N 1.31 -1.80 2.61 -1.39 0.00 -1.26 -2.58 105.19 102.08 8rsa n GLY 112 Ca -0.19 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.70 8rsa n GLY 112 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 8rsa s ASN 113 N -4.00 2.81 0.70 1.61 3.04 -1.26 -2.48 114.94 115.35 8rsa s ASN 113 Ca 0.00 -0.86 -0.14 0.00 0.04 0.00 0.00 52.86 51.90 8rsa s ASN 113 Cb 0.00 -0.34 0.02 0.00 -1.54 0.00 0.00 41.25 39.39 8rsa s ASN 113 CO 0.00 -0.37 1.11 -2.16 -3.04 0.00 0.00 177.10 172.64 8rsa s PRO 114 N 2.08 2.60 -0.58 0.43 0.04 -1.26 -5.07 135.00 133.22 8rsa s PRO 114 Ca 0.04 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 8rsa s PRO 114 Cb -0.16 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 8rsa s PRO 114 CO -0.17 -1.40 1.54 -0.47 0.04 0.00 0.00 177.00 176.53 8rsa s TYR 115 N -2.48 2.09 0.24 0.56 5.04 -1.03 -4.88 117.35 116.88 8rsa s TYR 115 Ca 0.66 0.49 0.06 0.00 -2.44 0.00 0.00 57.07 55.84 8rsa s TYR 115 Cb -0.20 -4.33 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 8rsa s TYR 115 CO 0.46 -2.15 -0.08 0.14 -1.34 0.00 0.00 175.55 172.58 8rsa s VAL 116 N 6.86 1.51 0.18 3.14 -7.23 -1.06 -4.84 120.40 118.96 8rsa s VAL 116 Ca 0.56 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.29 8rsa s VAL 116 Cb -0.12 -2.26 -0.09 0.00 0.56 0.00 0.00 36.38 34.47 8rsa s VAL 116 CO 0.23 -0.43 1.41 -2.84 -0.31 0.00 0.00 175.10 173.16 8rsa s PRO 117 N -3.73 4.31 0.00 4.82 0.02 -1.26 -1.44 135.00 137.71 8rsa s PRO 117 Ca 0.26 2.18 0.00 0.00 0.02 0.00 0.00 61.00 63.46 8rsa s PRO 117 Cb 0.03 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.36 8rsa s PRO 117 CO 0.09 -0.42 0.00 1.33 -0.33 0.00 0.00 177.00 177.67 8rsa n VAL 118 N 3.24 0.00 -3.90 3.83 0.24 0.16 -4.62 118.33 117.28 8rsa n VAL 118 Ca 0.09 -0.11 -0.11 0.00 -2.04 0.00 0.00 64.34 62.17 8rsa n VAL 118 Cb 0.41 0.58 -0.11 0.00 -1.47 0.00 0.00 33.84 33.26 8rsa n VAL 118 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 8rsa s HIS 119 N -1.52 0.09 -0.40 6.34 3.76 -1.05 -4.57 115.29 117.93 8rsa s HIS 119 Ca 0.00 -0.18 -0.15 0.00 -0.15 0.00 0.00 55.06 54.58 8rsa s HIS 119 Cb 0.00 -0.08 0.01 0.00 1.11 0.00 0.00 32.58 33.62 8rsa s HIS 119 CO 0.00 -0.20 0.31 0.12 -0.85 0.00 0.00 174.74 174.12 8rsa s PHE 120 N -1.07 3.23 -0.12 1.40 2.19 -1.26 -1.12 117.98 121.23 8rsa s PHE 120 Ca -0.12 -0.48 -0.12 0.00 0.33 0.00 0.00 56.93 56.54 8rsa s PHE 120 Cb -0.07 -2.61 -0.11 0.00 -1.31 0.00 0.00 43.02 38.92 8rsa s PHE 120 CO 0.00 -0.56 0.29 0.22 1.83 0.00 0.00 175.22 177.01 8rsa h ASP 121 N 8.61 0.00 -5.47 6.13 3.58 -1.59 -3.48 116.42 124.20 8rsa h ASP 121 Ca -0.28 -0.40 0.26 0.00 0.42 0.00 0.00 57.03 57.03 8rsa h ASP 121 Cb 1.13 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 42.06 8rsa h ASP 121 CO 0.72 0.75 0.69 0.00 -2.88 0.00 0.00 179.24 178.52 8rsa s ALA 122 N -2.43 -2.00 0.08 -0.78 0.00 -1.11 -4.97 121.76 110.55 8rsa s ALA 122 Ca -0.09 0.57 0.10 0.00 0.00 0.00 0.00 51.96 52.53 8rsa s ALA 122 Cb -0.01 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 8rsa s ALA 122 CO 0.30 -1.00 -0.26 -1.54 0.00 0.00 0.00 175.76 173.26 8rsa s SER 123 N -2.89 3.29 0.00 0.00 1.04 -1.26 -0.11 113.70 113.76 8rsa s SER 123 Ca 0.13 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.91 8rsa s SER 123 Cb 0.02 -0.29 0.00 0.00 0.10 0.00 0.00 66.02 65.85 8rsa s SER 123 CO -0.02 0.22 0.13 0.52 0.98 0.00 0.00 173.24 175.08