#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oco s VAL 5 N 0.00 4.37 -0.07 0.44 1.01 -1.26 -5.04 120.40 119.85 1oco s VAL 5 Ca 0.00 1.85 -0.10 0.00 0.00 0.00 0.00 61.98 63.73 1oco s VAL 5 Cb 0.00 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1oco s VAL 5 CO 0.00 0.22 0.25 -0.69 0.00 0.00 0.00 175.10 174.88 1oco s VAL 6 N 0.44 5.32 -0.07 2.92 1.01 -1.26 -5.10 120.40 123.65 1oco s VAL 6 Ca 0.51 0.46 0.05 0.00 0.00 0.00 0.00 61.98 63.00 1oco s VAL 6 Cb -0.25 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 1oco s VAL 6 CO 0.30 0.60 -0.22 -0.54 0.00 0.00 0.00 175.10 175.24 1oco s LYS 7 N -1.05 2.66 0.57 2.72 1.02 -1.26 -5.02 119.74 119.38 1oco s LYS 7 Ca 0.18 -0.85 0.26 0.00 0.02 0.00 0.00 55.97 55.58 1oco s LYS 7 Cb -0.14 -2.25 1.67 0.00 -0.52 0.00 0.00 37.83 36.59 1oco s LYS 7 CO 0.08 0.38 2.22 0.77 -0.92 0.00 0.00 175.35 177.89 1oco h SER 8 N 6.07 0.00 0.69 2.83 0.02 -2.04 0.24 113.55 121.37 1oco h SER 8 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1oco h SER 8 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1oco h SER 8 CO 0.48 0.01 -0.04 -0.62 -1.14 0.00 0.00 176.83 175.52 1oco n GLU 9 N -4.02 0.28 -0.34 3.45 4.71 -1.26 -3.33 120.64 120.13 1oco n GLU 9 Ca -0.03 -0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.09 1oco n GLU 9 Cb 0.09 -1.50 0.13 0.00 -1.01 0.00 0.00 31.44 29.14 1oco n GLU 9 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1oco n ASP 10 N -1.33 2.81 0.28 1.62 8.00 0.84 -4.42 116.55 124.35 1oco n ASP 10 Ca 0.11 -2.38 0.13 0.00 0.71 0.00 0.00 54.79 53.36 1oco n ASP 10 Cb 0.29 -0.58 0.83 0.00 -0.02 0.00 0.00 41.12 41.64 1oco n ASP 10 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 1oco h TYR 11 N 1.18 0.00 -0.15 1.24 -0.00 -1.71 -2.49 116.97 115.04 1oco h TYR 11 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.78 1oco h TYR 11 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.90 1oco h TYR 11 CO 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.59 1oco n ALA 12 N -2.39 2.49 -2.89 0.10 0.00 -1.26 -4.94 120.51 111.61 1oco n ALA 12 Ca -0.03 -0.68 -0.29 0.00 0.00 0.00 0.00 53.44 52.44 1oco n ALA 12 Cb 0.10 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.54 1oco n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1oco s LEU 13 N -1.77 4.21 0.37 0.00 1.43 -0.94 -5.06 118.68 116.93 1oco s LEU 13 Ca 0.34 0.17 -0.27 0.00 -1.03 0.00 0.00 54.13 53.33 1oco s LEU 13 Cb 0.20 -2.82 -0.11 0.00 0.03 0.00 0.00 46.19 43.49 1oco s LEU 13 CO 0.30 0.13 1.30 -2.65 0.23 0.00 0.00 176.35 175.67 1oco n PRO 14 N 0.07 2.12 -4.63 1.29 -0.02 -1.26 -4.97 135.00 127.59 1oco n PRO 14 Ca -0.06 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.87 1oco n PRO 14 Cb 0.52 -2.38 -0.08 0.00 -0.02 0.00 0.00 33.50 31.54 1oco n PRO 14 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1oco s SER 15 N -0.37 3.44 0.03 2.55 1.04 -1.26 -4.89 113.70 114.24 1oco s SER 15 Ca 0.57 -1.68 0.02 0.00 0.48 0.00 0.00 55.95 55.34 1oco s SER 15 Cb -0.54 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.09 1oco s SER 15 CO 0.61 -0.91 0.04 -0.47 0.98 0.00 0.00 173.24 173.49 1oco s TYR 16 N -3.05 3.15 -0.22 5.02 5.04 -1.26 -3.65 117.35 122.38 1oco s TYR 16 Ca 0.15 0.10 -0.16 0.00 -2.44 0.00 0.00 57.07 54.71 1oco s TYR 16 Cb 0.02 -1.66 0.06 0.00 0.35 0.00 0.00 41.96 40.73 1oco s TYR 16 CO 0.09 0.50 0.56 0.54 -1.34 0.00 0.00 175.55 175.91 1oco s VAL 17 N -1.22 -0.01 -0.40 3.14 0.11 -1.26 -5.06 120.40 115.71 1oco s VAL 17 Ca 0.24 0.02 -0.16 0.00 -2.93 0.00 0.00 61.98 59.15 1oco s VAL 17 Cb -0.12 -0.80 0.01 0.00 -1.53 0.00 0.00 36.38 33.94 1oco s VAL 17 CO 0.15 0.01 0.38 -1.81 -3.33 0.00 0.00 175.10 170.50 1oco s ASP 18 N 0.89 6.17 -0.30 3.54 1.01 -1.26 -4.57 116.67 122.14 1oco s ASP 18 Ca -0.05 -0.61 -0.08 0.00 0.71 0.00 0.00 52.55 52.52 1oco s ASP 18 Cb -0.05 -2.20 0.17 0.00 1.01 0.00 0.00 42.92 41.85 1oco s ASP 18 CO -0.07 -0.48 0.79 0.00 0.21 0.00 0.00 175.17 175.61 1oco s ARG 19 N 1.99 0.43 0.02 8.23 1.70 -1.26 -5.06 118.95 125.00 1oco s ARG 19 Ca 0.10 0.86 0.01 0.00 -0.47 0.00 0.00 55.73 56.23 1oco s ARG 19 Cb -0.17 0.49 0.07 0.00 -0.57 0.00 0.00 34.95 34.77 1oco s ARG 19 CO 0.12 -0.36 0.08 0.54 -1.08 0.00 0.00 175.30 174.60 1oco n ARG 20 N 5.37 -0.00 -0.46 3.89 1.74 -1.26 0.70 116.66 126.64 1oco n ARG 20 Ca -0.06 0.07 0.06 0.00 -0.77 0.00 0.00 57.85 57.16 1oco n ARG 20 Cb 0.52 -0.13 0.26 0.00 -1.02 0.00 0.00 32.46 32.08 1oco n ARG 20 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1oco n ASP 21 N -3.25 3.60 -2.86 0.55 5.75 -1.26 -4.12 116.55 114.96 1oco n ASP 21 Ca 0.02 -2.36 -0.12 0.00 -0.01 0.00 0.00 54.79 52.32 1oco n ASP 21 Cb 0.06 -0.50 0.04 0.00 -1.03 0.00 0.00 41.12 39.69 1oco n ASP 21 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1oco n TYR 22 N 0.68 -2.22 -0.03 2.11 9.36 0.22 -5.01 117.16 122.27 1oco n TYR 22 Ca 0.18 -2.47 0.14 0.00 3.32 0.00 0.00 57.90 59.07 1oco n TYR 22 Cb 0.70 1.06 0.57 0.00 -0.63 0.00 0.00 39.34 41.04 1oco n TYR 22 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1oco h PRO 23 N 3.35 0.24 -3.75 2.98 0.13 -1.71 -3.36 132.00 129.88 1oco h PRO 23 Ca -0.06 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.36 1oco h PRO 23 Cb 1.04 -0.05 -0.35 0.00 0.13 0.00 0.00 31.00 31.76 1oco h PRO 23 CO 0.28 0.16 -0.40 -0.51 -0.23 0.00 0.00 178.00 177.30 1oco s LEU 24 N -9.14 5.23 1.13 1.56 1.43 -1.26 -4.95 118.68 112.67 1oco s LEU 24 Ca -0.07 -2.71 -0.12 0.00 -1.03 0.00 0.00 54.13 50.20 1oco s LEU 24 Cb 0.19 -1.85 0.27 0.00 0.03 0.00 0.00 46.19 44.83 1oco s LEU 24 CO 0.74 -0.40 1.04 -2.16 0.23 0.00 0.00 176.35 175.80 1oco s PRO 25 N 0.15 -0.68 0.00 1.29 0.04 -1.26 -4.93 135.00 129.62 1oco s PRO 25 Ca 0.15 0.94 0.31 0.00 0.04 0.00 0.00 61.00 62.43 1oco s PRO 25 Cb -0.21 -1.57 1.59 0.00 0.04 0.00 0.00 34.50 34.35 1oco s PRO 25 CO -0.03 -3.59 2.06 -0.25 0.04 0.00 0.00 177.00 175.23 1oco n ASP 26 N -4.84 0.25 -3.91 6.66 8.00 -1.25 -4.86 116.55 116.61 1oco n ASP 26 Ca 0.04 -0.76 -0.09 0.00 0.71 0.00 0.00 54.79 54.69 1oco n ASP 26 Cb 0.54 -0.08 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 1oco n ASP 26 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1oco s VAL 27 N -2.24 0.13 0.30 2.53 1.01 -1.24 -4.85 120.40 116.05 1oco s VAL 27 Ca 0.38 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.03 1oco s VAL 27 Cb 0.21 -0.99 -0.09 0.00 0.00 0.00 0.00 36.38 35.51 1oco s VAL 27 CO 0.41 -0.61 0.85 0.00 0.00 0.00 0.00 175.10 175.75 1oco s ALA 28 N -2.83 3.27 0.43 5.51 0.00 -1.26 -4.76 121.76 122.11 1oco s ALA 28 Ca -0.03 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.37 1oco s ALA 28 Cb 0.00 -3.02 0.93 0.00 0.00 0.00 0.00 23.12 21.02 1oco s ALA 28 CO -0.06 0.23 2.05 1.25 0.00 0.00 0.00 175.76 179.24 1oco h HIS 29 N 3.02 0.37 -3.32 0.00 2.76 -0.89 -3.39 115.15 113.69 1oco h HIS 29 Ca -0.48 0.00 -0.61 0.00 -2.20 0.00 0.00 60.37 57.09 1oco h HIS 29 Cb 1.19 -0.12 -0.37 0.00 1.55 0.00 0.00 27.41 29.66 1oco h HIS 29 CO 0.62 0.27 -0.82 0.08 -1.30 0.00 0.00 177.93 176.79 1oco s VAL 30 N -5.28 1.58 -0.18 5.26 1.01 0.03 -3.13 120.40 119.70 1oco s VAL 30 Ca -0.07 -0.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 1oco s VAL 30 Cb 0.17 -1.61 -0.22 0.00 0.00 0.00 0.00 36.38 34.72 1oco s VAL 30 CO 0.72 0.26 0.34 0.11 0.00 0.00 0.00 175.10 176.52 1oco h LYS 31 N 8.01 0.07 -5.78 2.72 6.56 -1.89 -3.46 116.57 122.80 1oco h LYS 31 Ca -0.31 -0.12 -0.60 0.00 -1.06 0.00 0.00 60.65 58.56 1oco h LYS 31 Cb 1.11 0.04 -0.10 0.00 -0.57 0.00 0.00 32.23 32.71 1oco h LYS 31 CO 0.49 1.06 0.40 -0.80 -2.06 0.00 0.00 179.45 178.53 1oco s ASN 32 N -6.85 6.64 -0.03 0.86 0.01 -1.26 -5.04 114.94 109.27 1oco s ASN 32 Ca -0.26 0.59 -0.05 0.00 -0.71 0.00 0.00 52.86 52.43 1oco s ASN 32 Cb 0.05 -2.41 -0.04 0.00 0.41 0.00 0.00 41.25 39.26 1oco s ASN 32 CO 0.65 -0.65 0.21 -0.76 -1.51 0.00 0.00 177.10 175.04 1oco s LEU 33 N 3.00 4.38 0.60 0.60 1.43 -1.26 -5.07 118.68 122.35 1oco s LEU 33 Ca 0.32 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1oco s LEU 33 Cb -0.14 -2.49 0.04 0.00 0.03 0.00 0.00 46.19 43.62 1oco s LEU 33 CO 0.14 0.30 0.86 -0.94 0.23 0.00 0.00 176.35 176.94 1oco s SER 34 N -1.60 5.20 0.19 2.29 1.04 -1.26 -4.78 113.70 114.78 1oco s SER 34 Ca 0.24 0.25 -0.21 0.00 0.48 0.00 0.00 55.95 56.72 1oco s SER 34 Cb -0.13 -1.10 0.13 0.00 0.10 0.00 0.00 66.02 65.03 1oco s SER 34 CO 0.14 -1.25 1.58 0.00 0.98 0.00 0.00 173.24 174.69 1oco h ALA 35 N -0.16 -0.03 -0.63 5.32 0.00 -1.99 0.18 119.26 121.95 1oco h ALA 35 Ca -0.44 0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1oco h ALA 35 Cb 1.30 0.82 -0.03 0.00 0.00 0.00 0.00 17.79 19.87 1oco h ALA 35 CO 0.56 -0.68 0.26 0.66 0.00 0.00 0.00 179.25 180.06 1oco h SER 36 N -0.15 0.83 -0.32 0.00 4.64 -1.99 -2.12 113.55 114.45 1oco h SER 36 Ca 0.24 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1oco h SER 36 Cb 0.56 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 1oco h SER 36 CO -0.71 0.74 -0.17 1.56 -0.87 0.00 0.00 176.83 177.38 1oco h GLN 37 N 0.90 0.68 -0.80 4.77 4.20 -1.30 0.11 115.11 123.67 1oco h GLN 37 Ca 0.22 -0.30 0.12 0.00 0.06 0.00 0.00 58.65 58.74 1oco h GLN 37 Cb 0.16 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.84 1oco h GLN 37 CO -0.02 0.90 0.41 0.87 -0.67 0.00 0.00 178.83 180.32 1oco h LYS 38 N 0.44 0.63 -0.49 1.46 1.57 -0.58 0.38 116.57 119.99 1oco h LYS 38 Ca 0.07 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1oco h LYS 38 Cb 0.70 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 1oco h LYS 38 CO 0.05 0.42 -0.01 0.00 -0.57 0.00 0.00 179.45 179.34 1oco h ALA 39 N 1.49 0.66 -0.66 3.86 0.00 -0.98 -1.15 119.26 122.49 1oco h ALA 39 Ca 0.41 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1oco h ALA 39 Cb 0.49 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1oco h ALA 39 CO -0.31 0.47 0.22 1.25 0.00 0.00 0.00 179.25 180.88 1oco h LEU 40 N 0.72 0.94 -1.76 0.00 6.46 0.68 -1.49 115.31 120.86 1oco h LEU 40 Ca 0.14 -0.20 -0.01 0.00 -0.12 0.00 0.00 57.88 57.69 1oco h LEU 40 Cb 0.53 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.20 1oco h LEU 40 CO 0.03 0.89 0.03 0.11 -0.62 0.00 0.00 178.44 178.88 1oco h LYS 41 N 0.94 0.18 -0.29 1.25 1.79 -0.08 -1.57 116.57 118.79 1oco h LYS 41 Ca 0.21 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.52 1oco h LYS 41 Cb 0.28 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1oco h LYS 41 CO -0.01 0.17 -0.38 0.93 -1.08 0.00 0.00 179.45 179.09 1oco h GLU 42 N 0.18 0.77 -0.47 3.15 4.39 -0.29 -3.05 114.58 119.26 1oco h GLU 42 Ca 0.05 -0.44 0.01 0.00 0.34 0.00 0.00 59.36 59.32 1oco h GLU 42 Cb 0.08 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1oco h GLU 42 CO -0.00 1.07 0.31 0.87 -1.16 0.00 0.00 179.01 180.10 1oco h LYS 43 N 0.53 0.58 -0.17 2.33 1.57 -0.34 -2.24 116.57 118.83 1oco h LYS 43 Ca 0.04 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 1oco h LYS 43 Cb 0.97 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 1oco h LYS 43 CO 0.09 0.38 0.13 1.49 -0.57 0.00 0.00 179.45 180.98 1oco h GLU 44 N 0.60 0.00 0.00 3.15 4.81 -1.30 0.30 114.58 122.14 1oco h GLU 44 Ca 0.18 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 1oco h GLU 44 Cb -0.01 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1oco h GLU 44 CO -0.04 0.00 -0.05 0.87 -0.73 0.00 0.00 179.01 179.06 1oco h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.49 -3.43 116.57 115.13 1oco h LYS 45 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1oco h LYS 45 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1oco h LYS 45 CO -0.00 0.05 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1oco n ALA 46 N -2.15 0.00 -2.17 3.86 0.00 0.09 -5.01 120.51 115.14 1oco n ALA 46 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.01 1oco n ALA 46 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.67 1oco n ALA 46 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1oco s SER 47 N -1.00 6.82 0.52 0.00 0.15 -1.26 -4.90 113.70 114.02 1oco s SER 47 Ca 0.00 2.27 0.34 0.00 0.70 0.00 0.00 55.95 59.27 1oco s SER 47 Cb 0.00 -2.58 1.63 0.00 -1.71 0.00 0.00 66.02 63.36 1oco s SER 47 CO 0.00 -0.69 2.03 -0.50 1.20 0.00 0.00 173.24 175.28 1oco h TRP 48 N 7.21 0.00 0.00 3.44 6.55 -1.89 -2.17 115.95 129.10 1oco h TRP 48 Ca -0.41 0.00 -0.02 0.00 0.95 0.00 0.00 58.89 59.41 1oco h TRP 48 Cb 1.20 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 29.50 1oco h TRP 48 CO 0.69 0.00 -0.09 0.77 -1.05 0.00 0.00 178.44 178.77 1oco h SER 49 N 0.00 0.00 -0.06 -3.49 0.02 -2.00 -1.92 113.55 106.10 1oco h SER 49 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1oco h SER 49 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1oco h SER 49 CO 0.00 0.09 0.00 -1.54 -1.14 0.00 0.00 176.83 174.24 1oco n SER 50 N -4.21 1.02 -4.85 3.07 3.41 -0.81 -4.88 113.62 106.36 1oco n SER 50 Ca -0.03 -1.48 -0.34 0.00 -0.26 0.00 0.00 58.87 56.76 1oco n SER 50 Cb 0.17 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.02 1oco n SER 50 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oco s LEU 51 N -1.76 4.29 0.31 1.04 1.43 -0.72 -5.08 118.68 118.19 1oco s LEU 51 Ca 0.35 1.03 -0.15 0.00 -1.03 0.00 0.00 54.13 54.34 1oco s LEU 51 Cb 0.18 -3.39 -0.09 0.00 0.03 0.00 0.00 46.19 42.93 1oco s LEU 51 CO 0.29 0.05 0.73 -0.94 0.23 0.00 0.00 176.35 176.71 1oco s SER 52 N -1.90 6.79 0.39 2.29 1.04 -1.26 -4.87 113.70 116.19 1oco s SER 52 Ca 0.40 1.28 0.23 0.00 0.48 0.00 0.00 55.95 58.34 1oco s SER 52 Cb -0.14 -2.37 1.27 0.00 0.10 0.00 0.00 66.02 64.88 1oco s SER 52 CO 0.20 -0.18 1.65 0.40 0.98 0.00 0.00 173.24 176.29 1oco h ILE 53 N 2.04 0.22 -0.53 -1.02 2.04 -1.98 0.61 117.51 118.89 1oco h ILE 53 Ca -0.48 -0.07 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 1oco h ILE 53 Cb 1.18 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1oco h ILE 53 CO 0.65 0.04 -0.14 0.44 0.00 0.00 0.00 178.15 179.14 1oco h ASP 54 N 0.20 1.05 -0.62 1.72 3.32 -1.99 -0.19 116.42 119.91 1oco h ASP 54 Ca 0.76 -0.36 -0.08 0.00 0.02 0.00 0.00 57.03 57.37 1oco h ASP 54 Cb 2.10 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 41.34 1oco h ASP 54 CO -0.50 1.17 0.06 -0.33 -1.72 0.00 0.00 179.24 177.92 1oco h GLU 55 N 0.91 1.06 -0.55 3.56 5.08 -0.21 -0.39 114.58 124.04 1oco h GLU 55 Ca 0.13 -0.30 -0.07 0.00 -1.00 0.00 0.00 59.36 58.13 1oco h GLU 55 Cb 0.72 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1oco h GLU 55 CO 0.05 1.00 0.08 0.87 -1.00 0.00 0.00 179.01 180.02 1oco h LYS 56 N 0.99 0.92 0.26 2.33 1.57 -0.84 0.44 116.57 122.23 1oco h LYS 56 Ca 0.19 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1oco h LYS 56 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 1oco h LYS 56 CO 0.02 0.89 -0.12 0.28 -0.57 0.00 0.00 179.45 179.95 1oco h VAL 57 N 0.81 0.80 -0.89 0.50 2.07 -0.72 -0.73 116.25 118.09 1oco h VAL 57 Ca 0.17 -0.43 0.18 0.00 0.82 0.00 0.00 66.70 67.44 1oco h VAL 57 Cb 0.42 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 31.16 1oco h VAL 57 CO 0.01 0.09 0.58 -0.08 0.02 0.00 0.00 177.57 178.20 1oco h GLU 58 N -0.57 0.49 -0.41 1.57 4.81 -0.94 0.68 114.58 120.21 1oco h GLU 58 Ca -0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 1oco h GLU 58 Cb 0.42 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1oco h GLU 58 CO 0.06 0.32 0.14 1.25 -0.73 0.00 0.00 179.01 180.05 1oco h LEU 59 N 0.50 0.58 -0.54 1.64 5.85 -0.63 -2.57 115.31 120.15 1oco h LEU 59 Ca 0.46 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.95 1oco h LEU 59 Cb 1.00 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1oco h LEU 59 CO -0.19 0.62 0.17 0.22 -0.34 0.00 0.00 178.44 178.92 1oco h TYR 60 N 0.52 0.86 0.00 1.25 5.03 0.17 -2.80 116.97 121.99 1oco h TYR 60 Ca 0.13 -0.08 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1oco h TYR 60 Cb 0.24 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.27 1oco h TYR 60 CO 0.01 0.73 0.00 0.54 -1.32 0.00 0.00 178.16 178.11 1oco n ARG 61 N -4.47 0.65 0.02 1.82 5.12 0.65 -1.78 116.66 118.67 1oco n ARG 61 Ca 0.02 0.02 -0.20 0.00 -1.93 0.00 0.00 57.85 55.75 1oco n ARG 61 Cb 0.19 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.85 1oco n ARG 61 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1oco h LEU 62 N 0.00 0.41 0.03 0.55 5.85 -1.18 -3.40 115.31 117.57 1oco h LEU 62 Ca 0.00 -0.85 -0.05 0.00 0.84 0.00 0.00 57.88 57.82 1oco h LEU 62 Cb 0.05 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 40.95 1oco h LEU 62 CO 0.00 1.76 -0.20 0.50 -0.34 0.00 0.00 178.44 180.15 1oco h LYS 63 N 0.07 0.08 -6.53 1.25 1.63 -1.53 0.15 116.57 111.71 1oco h LYS 63 Ca -0.39 -0.13 -0.68 0.00 -0.85 0.00 0.00 60.65 58.59 1oco h LYS 63 Cb 2.04 0.05 -0.22 0.00 -0.60 0.00 0.00 32.23 33.51 1oco h LYS 63 CO 0.11 1.04 -0.79 -0.06 -3.45 0.00 0.00 179.45 176.29 1oco s PHE 64 N -2.38 2.60 -0.05 1.91 0.08 -0.73 -0.86 117.98 118.55 1oco s PHE 64 Ca -0.17 -0.23 -0.17 0.00 0.12 0.00 0.00 56.93 56.48 1oco s PHE 64 Cb -0.02 -1.49 -0.11 0.00 -0.57 0.00 0.00 43.02 40.83 1oco s PHE 64 CO 0.73 0.26 0.70 -0.22 -0.10 0.00 0.00 175.22 176.58 1oco h LYS 65 N 4.60 -0.34 -4.88 0.44 3.64 -1.87 -3.39 116.57 114.76 1oco h LYS 65 Ca -0.48 0.02 -0.35 0.00 -1.27 0.00 0.00 60.65 58.58 1oco h LYS 65 Cb 1.16 0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 32.83 1oco h LYS 65 CO 0.49 -0.06 -0.76 -1.83 -2.27 0.00 0.00 179.45 175.02 1oco s GLU 66 N -3.24 0.66 0.72 1.90 -1.05 -1.26 -5.01 118.70 111.42 1oco s GLU 66 Ca -0.10 -0.75 -0.11 0.00 -0.15 0.00 0.00 54.97 53.86 1oco s GLU 66 Cb 0.01 -0.56 0.02 0.00 -0.44 0.00 0.00 34.13 33.16 1oco s GLU 66 CO 0.33 0.12 1.07 -1.54 0.95 0.00 0.00 175.26 176.20 1oco s SER 67 N -1.39 5.17 0.43 0.83 1.04 -1.26 -4.78 113.70 113.74 1oco s SER 67 Ca -0.05 1.57 0.20 0.00 0.48 0.00 0.00 55.95 58.15 1oco s SER 67 Cb -0.09 -2.41 1.15 0.00 0.10 0.00 0.00 66.02 64.77 1oco s SER 67 CO 0.01 -1.57 1.84 -0.26 0.98 0.00 0.00 173.24 174.24 1oco h PHE 68 N -0.81 0.48 -0.48 5.02 -1.00 -2.01 0.11 116.94 118.26 1oco h PHE 68 Ca -0.44 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.23 1oco h PHE 68 Cb 1.22 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.62 1oco h PHE 68 CO 0.59 0.11 -0.19 0.00 -1.61 0.00 0.00 178.31 177.21 1oco h ALA 69 N 1.60 0.75 -0.03 2.45 0.00 -1.95 -0.51 119.26 121.56 1oco h ALA 69 Ca 0.49 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1oco h ALA 69 Cb 1.34 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1oco h ALA 69 CO -0.17 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 180.44 1oco h GLU 70 N 0.84 0.21 0.00 0.00 5.08 -1.41 -2.96 114.58 116.33 1oco h GLU 70 Ca 0.12 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1oco h GLU 70 Cb 0.75 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1oco h GLU 70 CO 0.06 0.86 -0.12 0.00 -1.00 0.00 0.00 179.01 178.81 1oco h MET 71 N -0.37 0.00 -0.64 2.33 -0.00 -0.77 -1.09 114.93 114.38 1oco h MET 71 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1oco h MET 71 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.52 1oco h MET 71 CO 0.05 0.12 0.00 0.09 -0.00 0.00 0.00 176.91 177.17 1oco n ASN 72 N -3.71 4.05 -4.72 -0.10 3.02 -0.21 -4.96 115.26 108.63 1oco n ASN 72 Ca -0.02 -2.30 -0.42 0.00 -0.03 0.00 0.00 54.58 51.82 1oco n ASN 72 Cb 0.23 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 38.86 1oco n ASN 72 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1oco s ARG 73 N -1.65 4.19 0.36 3.52 3.52 -0.41 -4.99 118.95 123.49 1oco s ARG 73 Ca 0.45 2.44 -0.20 0.00 -0.13 0.00 0.00 55.73 58.28 1oco s ARG 73 Cb 0.27 -3.12 -0.10 0.00 -1.56 0.00 0.00 34.95 30.44 1oco s ARG 73 CO 0.24 -0.65 0.88 -1.54 -0.81 0.00 0.00 175.30 173.41 1oco s SER 74 N 1.11 6.98 0.40 -2.12 1.04 -1.26 -5.07 113.70 114.78 1oco s SER 74 Ca 0.71 1.59 0.08 0.00 0.48 0.00 0.00 55.95 58.81 1oco s SER 74 Cb -0.46 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.12 1oco s SER 74 CO 0.32 -0.23 0.18 0.42 0.98 0.00 0.00 173.24 174.91 1oco s THR 75 N -1.97 2.45 -0.34 2.02 -4.23 -1.26 -5.02 115.64 107.29 1oco s THR 75 Ca 0.56 -1.68 0.11 0.00 -1.18 0.00 0.00 61.69 59.50 1oco s THR 75 Cb -0.12 -2.98 0.71 0.00 1.34 0.00 0.00 72.50 71.45 1oco s THR 75 CO 0.17 -0.04 1.65 0.59 -0.54 0.00 0.00 174.62 176.46 1oco n ASN 76 N -1.24 4.93 -0.18 3.99 4.13 -1.26 -4.55 115.26 121.08 1oco n ASN 76 Ca -0.01 -2.95 -0.07 0.00 1.68 0.00 0.00 54.58 53.23 1oco n ASN 76 Cb 0.64 -0.69 0.02 0.00 -1.54 0.00 0.00 39.78 38.20 1oco n ASN 76 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1oco h GLU 77 N 3.05 0.72 -1.23 3.52 4.81 -2.02 -3.08 114.58 120.36 1oco h GLU 77 Ca 0.11 -0.07 0.38 0.00 -0.13 0.00 0.00 59.36 59.65 1oco h GLU 77 Cb 1.99 -0.15 -0.12 0.00 0.63 0.00 0.00 28.75 31.11 1oco h GLU 77 CO 0.55 0.54 0.79 0.11 -0.73 0.00 0.00 179.01 180.27 1oco h TRP 78 N 0.71 0.55 -0.17 0.92 5.08 -2.00 0.28 115.95 121.32 1oco h TRP 78 Ca 0.19 0.02 0.00 0.00 1.08 0.00 0.00 58.89 60.18 1oco h TRP 78 Cb 0.01 -0.14 -0.01 0.00 -3.00 0.00 0.00 29.16 26.02 1oco h TRP 78 CO -0.02 -0.13 0.11 0.87 -1.28 0.00 0.00 178.44 177.99 1oco h LYS 79 N 0.17 0.23 -0.62 0.12 1.57 -1.91 0.27 116.57 116.40 1oco h LYS 79 Ca 0.75 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 59.48 1oco h LYS 79 Cb 2.25 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 34.48 1oco h LYS 79 CO -0.38 0.18 0.27 1.15 -0.57 0.00 0.00 179.45 180.10 1oco h THR 80 N 0.21 1.22 0.56 -0.16 2.02 -0.62 -1.45 112.91 114.69 1oco h THR 80 Ca 0.06 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.54 1oco h THR 80 Cb 0.00 0.52 0.01 0.00 -1.74 0.00 0.00 68.15 66.93 1oco h THR 80 CO -0.01 0.27 -0.27 0.58 0.37 0.00 0.00 175.52 176.46 1oco h VAL 81 N 0.86 0.41 0.73 3.16 2.07 -1.19 -0.13 116.25 122.15 1oco h VAL 81 Ca 0.21 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1oco h VAL 81 Cb 0.16 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 1oco h VAL 81 CO -0.02 0.03 -0.42 0.58 0.02 0.00 0.00 177.57 177.76 1oco h VAL 82 N -0.89 0.00 -0.46 2.57 2.07 -0.95 -0.41 116.25 118.19 1oco h VAL 82 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1oco h VAL 82 Cb 0.62 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.30 1oco h VAL 82 CO 0.13 0.00 -0.16 1.23 0.02 0.00 0.00 177.57 178.78 1oco h GLY 83 N -1.06 0.23 1.38 2.17 0.00 -1.36 0.60 103.07 105.04 1oco h GLY 83 Ca -0.10 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 1oco h GLY 83 CO 0.12 -0.20 0.26 0.00 0.00 0.00 0.00 176.54 176.73 1oco h ALA 84 N 1.34 1.40 -0.39 3.60 0.00 -0.99 -0.56 119.26 123.66 1oco h ALA 84 Ca 0.22 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1oco h ALA 84 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1oco h ALA 84 CO -0.50 0.47 0.15 0.00 0.00 0.00 0.00 179.25 179.37 1oco h ALA 85 N 1.49 0.50 0.00 0.00 0.00 0.03 -1.69 119.26 119.60 1oco h ALA 85 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1oco h ALA 85 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1oco h ALA 85 CO -0.03 0.11 -0.30 0.52 0.00 0.00 0.00 179.25 179.55 1oco h MET 86 N 0.48 0.00 -0.18 0.00 2.07 -0.42 0.12 114.93 117.00 1oco h MET 86 Ca 0.13 0.00 -0.12 0.00 -2.07 0.00 0.00 59.70 57.64 1oco h MET 86 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 1oco h MET 86 CO -0.01 0.30 -0.34 0.35 1.07 0.00 0.00 176.91 178.29 1oco h PHE 87 N 0.00 0.69 -0.05 -0.22 3.57 -0.78 0.30 116.94 120.46 1oco h PHE 87 Ca -0.00 -0.25 -0.09 0.00 3.53 0.00 0.00 57.97 61.16 1oco h PHE 87 Cb 0.57 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1oco h PHE 87 CO 0.00 0.98 -0.40 0.74 -2.23 0.00 0.00 178.31 177.39 1oco h PHE 88 N 0.21 0.13 -0.15 0.41 0.04 -0.98 0.27 116.94 116.88 1oco h PHE 88 Ca 0.01 -0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.57 1oco h PHE 88 Cb 0.93 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 39.04 1oco h PHE 88 CO 0.09 0.51 -0.62 0.82 -0.60 0.00 0.00 178.31 178.50 1oco h ILE 89 N 0.10 1.34 -0.55 -0.55 2.04 -0.92 -3.01 117.51 115.96 1oco h ILE 89 Ca 0.01 -1.92 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 1oco h ILE 89 Cb 0.76 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 1oco h ILE 89 CO 0.06 0.59 0.13 1.23 0.00 0.00 0.00 178.15 180.16 1oco h GLY 90 N 1.10 0.91 0.96 5.37 0.00 0.28 -2.64 103.07 109.05 1oco h GLY 90 Ca -0.01 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1oco h GLY 90 CO 0.11 0.49 0.29 -2.75 0.00 0.00 0.00 176.54 174.68 1oco h PHE 91 N 0.82 0.54 -1.01 5.60 3.57 -0.42 -2.71 116.94 123.32 1oco h PHE 91 Ca 0.18 0.01 0.24 0.00 3.53 0.00 0.00 57.97 61.93 1oco h PHE 91 Cb 0.30 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 38.74 1oco h PHE 91 CO 0.02 0.33 0.61 1.15 -2.23 0.00 0.00 178.31 178.18 1oco h THR 92 N 0.58 0.56 0.00 4.41 2.02 -1.34 0.92 112.91 120.06 1oco h THR 92 Ca 0.17 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 1oco h THR 92 Cb -0.04 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.29 1oco h THR 92 CO -0.06 0.11 -0.00 0.00 0.37 0.00 0.00 175.52 175.94 1oco h ALA 93 N 1.71 1.42 -0.09 6.16 0.00 -1.47 0.39 119.26 127.37 1oco h ALA 93 Ca 0.63 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.33 1oco h ALA 93 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1oco h ALA 93 CO -0.44 0.00 -0.78 -0.07 0.00 0.00 0.00 179.25 177.96 1oco h LEU 94 N 0.00 0.68 -0.40 0.00 3.38 -0.93 -1.48 115.31 116.55 1oco h LEU 94 Ca -0.00 -0.46 -0.03 0.00 0.09 0.00 0.00 57.88 57.48 1oco h LEU 94 Cb 0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1oco h LEU 94 CO 0.00 1.23 0.14 -0.07 0.09 0.00 0.00 178.44 179.83 1oco h LEU 95 N 0.38 0.57 -0.88 1.67 3.38 -0.23 -1.20 115.31 119.00 1oco h LEU 95 Ca -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1oco h LEU 95 Cb 1.39 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.95 1oco h LEU 95 CO 0.15 0.60 0.52 -0.07 0.09 0.00 0.00 178.44 179.73 1oco h LEU 96 N 0.50 1.06 -0.65 1.67 3.38 -1.21 -1.39 115.31 118.67 1oco h LEU 96 Ca 0.13 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1oco h LEU 96 Cb 0.23 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1oco h LEU 96 CO -0.01 0.82 0.13 0.40 0.09 0.00 0.00 178.44 179.87 1oco h ILE 97 N 1.21 1.26 -0.73 1.22 2.04 -0.94 -2.17 117.51 119.40 1oco h ILE 97 Ca 0.31 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1oco h ILE 97 Cb -0.04 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1oco h ILE 97 CO -0.06 0.37 0.30 -0.25 0.00 0.00 0.00 178.15 178.51 1oco h TRP 98 N 0.99 1.10 -0.05 1.37 7.01 -0.26 -1.98 115.95 124.12 1oco h TRP 98 Ca 0.20 -0.08 -0.09 0.00 2.11 0.00 0.00 58.89 61.03 1oco h TRP 98 Cb 0.41 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1oco h TRP 98 CO 0.03 0.84 -0.39 1.05 -2.79 0.00 0.00 178.44 177.18 1oco h GLU 99 N 1.04 0.11 -0.07 2.65 4.11 -1.10 0.18 114.58 121.50 1oco h GLU 99 Ca 0.24 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 1oco h GLU 99 Cb 0.20 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1oco h GLU 99 CO -0.02 0.49 -0.03 -0.22 0.07 0.00 0.00 179.01 179.30 1oco h LYS 100 N 0.10 0.14 0.00 1.06 1.63 -0.96 0.84 116.57 119.37 1oco h LYS 100 Ca 0.01 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.67 1oco h LYS 100 Cb 0.73 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.35 1oco h LYS 100 CO 0.05 0.50 -0.38 1.25 -3.45 0.00 0.00 179.45 177.43 1oco h HIS 101 N -0.23 0.00 0.00 1.91 2.76 -1.22 -3.30 115.15 115.07 1oco h HIS 101 Ca 0.02 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 58.06 1oco h HIS 101 Cb 0.46 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.40 1oco h HIS 101 CO 0.06 0.38 -1.47 0.66 -1.30 0.00 0.00 177.93 176.27 1oco n TYR 102 N -3.36 0.00 -0.11 5.26 4.01 0.60 -4.88 117.16 118.69 1oco n TYR 102 Ca 0.01 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 1oco n TYR 102 Cb 0.58 -0.33 -0.12 0.00 -0.31 0.00 0.00 39.34 39.17 1oco n TYR 102 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1oco n VAL 103 N -2.44 1.55 -2.71 -0.72 0.31 -0.03 -4.95 118.33 109.35 1oco n VAL 103 Ca -0.12 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.28 1oco n VAL 103 Cb 0.69 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 1oco n VAL 103 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1oco s TYR 104 N -2.51 3.40 0.00 3.52 2.02 0.08 -5.03 117.35 118.82 1oco s TYR 104 Ca -0.33 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 57.83 1oco s TYR 104 Cb 0.10 -3.21 0.00 0.00 -0.40 0.00 0.00 41.96 38.45 1oco s TYR 104 CO 0.60 -0.38 0.00 0.41 -1.57 0.00 0.00 175.55 174.62 1oco n GLY 105 N 3.30 -1.42 3.79 0.71 0.00 -1.26 -4.79 105.19 105.52 1oco n GLY 105 Ca 0.10 -1.61 -0.35 0.00 0.00 0.00 0.00 46.02 44.15 1oco n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oco s PRO 106 N -2.76 4.21 0.61 1.61 0.04 -1.26 -5.05 135.00 132.40 1oco s PRO 106 Ca 0.00 1.37 -0.09 0.00 0.04 0.00 0.00 61.00 62.32 1oco s PRO 106 Cb 0.00 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 1oco s PRO 106 CO 0.00 -0.07 0.97 0.96 0.04 0.00 0.00 177.00 178.90 1oco s ILE 107 N -1.81 4.17 0.83 0.56 -0.00 -1.26 -5.02 121.20 118.67 1oco s ILE 107 Ca 0.59 0.43 -0.16 0.00 -0.00 0.00 0.00 60.65 61.51 1oco s ILE 107 Cb -0.18 -3.67 -0.08 0.00 -0.00 0.00 0.00 42.46 38.54 1oco s ILE 107 CO 0.22 -0.79 -0.05 -0.81 -0.00 0.00 0.00 174.94 173.51 1oco n PRO 108 N -2.69 0.02 0.20 0.37 -0.04 -1.26 -4.87 135.00 126.74 1oco n PRO 108 Ca 0.05 0.03 0.15 0.00 -0.04 0.00 0.00 63.50 63.69 1oco n PRO 108 Cb 0.56 -1.42 0.62 0.00 -0.04 0.00 0.00 33.50 33.22 1oco n PRO 108 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 1oco h HIS 109 N -0.77 0.00 0.00 0.54 2.07 -2.01 -2.89 115.15 112.08 1oco h HIS 109 Ca -0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.08 1oco h HIS 109 Cb 1.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.32 1oco h HIS 109 CO 0.29 0.00 0.00 0.25 -3.07 0.00 0.00 177.93 175.40 1oco n THR 110 N -2.63 0.13 0.99 6.12 -2.24 -1.26 -2.49 114.28 112.90 1oco n THR 110 Ca 0.01 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 1oco n THR 110 Cb 0.24 -0.77 -0.02 0.00 -2.10 0.00 0.00 70.33 67.67 1oco n THR 110 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1oco n PHE 111 N -1.07 0.00 -1.73 4.78 3.72 -1.09 -4.27 117.46 117.81 1oco n PHE 111 Ca 0.11 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.12 1oco n PHE 111 Cb 0.07 -0.07 0.02 0.00 -0.94 0.00 0.00 39.48 38.57 1oco n PHE 111 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1oco n GLU 112 N -1.51 1.90 -0.36 -1.08 1.02 -1.04 -4.74 120.64 114.83 1oco n GLU 112 Ca 0.04 0.68 0.04 0.00 -0.02 0.00 0.00 57.16 57.91 1oco n GLU 112 Cb 0.33 -2.50 0.11 0.00 -0.02 0.00 0.00 31.44 29.37 1oco n GLU 112 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1oco n GLU 113 N -0.38 -0.12 0.04 3.49 1.02 -1.26 -1.69 120.64 121.73 1oco n GLU 113 Ca 0.08 1.52 -0.13 0.00 -0.02 0.00 0.00 57.16 58.61 1oco n GLU 113 Cb 0.42 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.49 1oco n GLU 113 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1oco h GLU 114 N 0.00 -0.09 -0.79 3.49 4.81 -1.97 -2.82 114.58 117.21 1oco h GLU 114 Ca 0.44 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.79 1oco h GLU 114 Cb 0.68 0.02 -0.08 0.00 0.63 0.00 0.00 28.75 30.00 1oco h GLU 114 CO -1.00 0.23 0.40 2.35 -0.73 0.00 0.00 179.01 180.27 1oco h TRP 115 N -0.43 0.71 0.00 0.92 2.91 -1.65 0.12 115.95 118.53 1oco h TRP 115 Ca -0.01 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.99 1oco h TRP 115 Cb 0.37 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1oco h TRP 115 CO 0.04 0.21 -0.23 -0.39 -1.03 0.00 0.00 178.44 177.03 1oco h VAL 116 N 0.62 0.64 0.07 2.65 -1.51 -1.33 0.20 116.25 117.59 1oco h VAL 116 Ca 0.41 -1.05 -0.27 0.00 -1.23 0.00 0.00 66.70 64.56 1oco h VAL 116 Cb 0.52 1.69 0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1oco h VAL 116 CO -0.32 0.23 -1.13 0.00 -1.23 0.00 0.00 177.57 175.12 1oco h ALA 117 N 1.77 0.14 -0.30 5.19 0.00 -0.58 0.10 119.26 125.58 1oco h ALA 117 Ca -0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 54.91 54.02 1oco h ALA 117 Cb 0.67 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1oco h ALA 117 CO 0.03 0.77 -0.30 0.87 0.00 0.00 0.00 179.25 180.62 1oco h LYS 118 N 0.25 0.74 -0.37 0.00 1.79 -0.85 -1.45 116.57 116.68 1oco h LYS 118 Ca -0.14 -0.39 -0.05 0.00 -2.18 0.00 0.00 60.65 57.89 1oco h LYS 118 Cb 1.79 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 32.44 1oco h LYS 118 CO 0.21 1.01 0.02 0.37 -1.08 0.00 0.00 179.45 179.97 1oco h GLN 119 N 0.49 0.57 -0.11 3.15 4.15 -0.56 -0.90 115.11 121.90 1oco h GLN 119 Ca 0.05 -0.12 -0.16 0.00 0.77 0.00 0.00 58.65 59.19 1oco h GLN 119 Cb 0.87 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1oco h GLN 119 CO 0.07 0.58 -0.62 1.15 -1.93 0.00 0.00 178.83 178.08 1oco h THR 120 N 0.55 1.36 -0.18 2.39 2.02 -0.49 -1.87 112.91 116.69 1oco h THR 120 Ca 0.12 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.31 1oco h THR 120 Cb 0.32 1.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.69 1oco h THR 120 CO 0.01 0.59 0.05 0.50 0.37 0.00 0.00 175.52 177.04 1oco h LYS 121 N 0.28 0.28 -0.44 6.66 1.63 -0.57 -1.87 116.57 122.53 1oco h LYS 121 Ca -0.01 -0.06 0.04 0.00 -0.85 0.00 0.00 60.65 59.77 1oco h LYS 121 Cb 1.16 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 32.71 1oco h LYS 121 CO 0.11 0.40 0.21 -0.09 -3.45 0.00 0.00 179.45 176.62 1oco h ARG 122 N 0.10 0.40 -0.57 1.90 2.43 -1.06 0.25 114.38 117.84 1oco h ARG 122 Ca 0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1oco h ARG 122 Cb 0.24 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1oco h ARG 122 CO -0.00 0.27 0.37 0.52 -1.51 0.00 0.00 179.97 179.62 1oco h MET 123 N 0.42 0.74 0.00 0.20 2.86 -1.31 0.15 114.93 117.98 1oco h MET 123 Ca 0.19 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.75 1oco h MET 123 Cb 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 1oco h MET 123 CO -0.15 0.49 -0.18 -0.07 1.06 0.00 0.00 176.91 178.07 1oco h LEU 124 N 0.76 0.00 -0.07 1.22 3.38 -0.64 0.16 115.31 120.11 1oco h LEU 124 Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 1oco h LEU 124 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1oco h LEU 124 CO -0.05 0.18 -0.23 0.44 0.09 0.00 0.00 178.44 178.86 1oco h ASP 125 N 0.00 0.33 -0.04 -0.43 3.32 0.19 -2.72 116.42 117.06 1oco h ASP 125 Ca -0.00 -0.62 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1oco h ASP 125 Cb 0.43 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1oco h ASP 125 CO 0.02 0.89 0.00 1.15 -1.72 0.00 0.00 179.24 179.58 1oco n MET 126 N -4.51 1.09 -3.80 3.56 0.00 0.27 -4.90 117.12 108.83 1oco n MET 126 Ca -0.08 -0.14 -0.23 0.00 0.00 0.00 0.00 57.70 57.25 1oco n MET 126 Cb 0.44 -1.03 0.01 0.00 0.00 0.00 0.00 33.22 32.64 1oco n MET 126 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1oco n LYS 127 N -0.38 -4.08 -1.68 3.17 4.01 -0.59 -4.88 118.16 113.72 1oco n LYS 127 Ca 0.01 0.53 -0.48 0.00 -0.51 0.00 0.00 58.31 57.86 1oco n LYS 127 Cb 0.03 -4.88 -0.05 0.00 -0.51 0.00 0.00 35.03 29.63 1oco n LYS 127 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1oco n VAL 128 N -4.31 0.50 -3.54 -0.18 0.31 0.44 -3.08 118.33 108.48 1oco n VAL 128 Ca -0.30 -0.09 -0.18 0.00 -0.01 0.00 0.00 64.34 63.76 1oco n VAL 128 Cb 0.68 -1.82 0.01 0.00 -0.91 0.00 0.00 33.84 31.79 1oco n VAL 128 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1oco n ALA 129 N 6.20 -2.66 0.24 3.52 0.00 -1.26 -0.19 120.51 126.36 1oco n ALA 129 Ca 0.22 -0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.61 1oco n ALA 129 Cb 0.29 -1.59 0.46 0.00 0.00 0.00 0.00 19.45 18.60 1oco n ALA 129 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1oco h PRO 130 N -0.37 0.00 0.00 0.00 0.13 -1.90 -1.15 132.00 128.72 1oco h PRO 130 Ca -0.43 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 1oco h PRO 130 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 1oco h PRO 130 CO 0.37 0.07 -1.32 0.82 -0.23 0.00 0.00 178.00 177.71 1oco h ILE 131 N 0.00 0.66 0.00 -3.56 2.04 -1.90 -3.34 117.51 111.41 1oco h ILE 131 Ca -0.00 -2.20 0.00 0.00 1.00 0.00 0.00 64.86 63.66 1oco h ILE 131 Cb 0.75 2.18 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 1oco h ILE 131 CO 0.01 0.37 0.00 0.00 0.00 0.00 0.00 178.15 178.53 1oco n GLN 132 N -2.98 0.00 0.15 2.37 6.02 -1.25 -4.92 117.38 116.77 1oco n GLN 132 Ca -0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.84 1oco n GLN 132 Cb 0.86 -0.05 -0.03 0.00 1.02 0.00 0.00 30.24 32.04 1oco n GLN 132 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.06 176.83 1oco h GLY 133 N 0.00 -0.41 0.00 1.08 0.00 -1.89 -3.43 103.07 98.42 1oco h GLY 133 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1oco h GLY 133 CO 0.00 -0.15 0.00 0.33 0.00 0.00 0.00 176.54 176.72 1oco n PHE 134 N -3.24 0.00 0.23 5.60 7.35 -0.47 -4.77 117.46 122.17 1oco n PHE 134 Ca -0.05 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.80 1oco n PHE 134 Cb 0.16 0.00 0.83 0.00 0.35 0.00 0.00 39.48 40.81 1oco n PHE 134 CO 0.00 0.00 0.00 0.77 -0.76 0.00 0.00 176.76 176.77 1oco h SER 135 N 0.00 0.00 0.48 -2.13 0.02 -0.21 0.10 113.55 111.81 1oco h SER 135 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1oco h SER 135 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1oco h SER 135 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1oco n ALA 136 N -2.37 1.52 -1.31 3.77 0.00 -1.15 -1.57 120.51 119.41 1oco n ALA 136 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.27 1oco n ALA 136 Cb 0.23 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.58 1oco n ALA 136 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oco n LYS 137 N -1.87 2.21 -4.03 0.00 5.02 0.35 -4.91 118.16 114.92 1oco n LYS 137 Ca 0.02 -3.10 -0.14 0.00 -2.02 0.00 0.00 58.31 53.07 1oco n LYS 137 Cb 0.16 -2.11 -0.14 0.00 -0.02 0.00 0.00 35.03 32.93 1oco n LYS 137 CO 0.00 0.00 0.00 -0.46 -0.52 0.00 0.00 177.40 176.42 1oco s TRP 138 N -3.34 0.28 -0.74 2.13 -0.11 -0.61 -2.04 118.94 114.51 1oco s TRP 138 Ca 0.55 -0.10 -0.15 0.00 1.22 0.00 0.00 56.10 57.62 1oco s TRP 138 Cb 0.46 -0.18 0.18 0.00 -1.50 0.00 0.00 33.47 32.44 1oco s TRP 138 CO 0.07 -0.02 0.71 0.34 -4.62 0.00 0.00 176.95 173.43 1oco s ASP 139 N -0.21 6.57 0.65 5.86 -1.08 0.16 -4.58 116.67 124.05 1oco s ASP 139 Ca -0.00 -2.35 0.44 0.00 -0.52 0.00 0.00 52.55 50.12 1oco s ASP 139 Cb -0.02 -2.22 2.38 0.00 -1.46 0.00 0.00 42.92 41.60 1oco s ASP 139 CO -0.00 -0.70 2.34 1.88 0.52 0.00 0.00 175.17 179.21 1oco h TYR 140 N 8.21 0.00 0.00 -5.34 0.05 -1.92 0.50 116.97 118.47 1oco h TYR 140 Ca -0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1oco h TYR 140 Cb 1.06 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.80 1oco h TYR 140 CO 0.95 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 177.81 1oco n ASP 141 N -3.04 0.00 0.00 3.88 8.00 -1.26 -4.00 116.55 120.13 1oco n ASP 141 Ca -0.03 0.36 0.05 0.00 0.71 0.00 0.00 54.79 55.88 1oco n ASP 141 Cb 0.07 -0.33 0.28 0.00 -0.02 0.00 0.00 41.12 41.12 1oco n ASP 141 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1oco n LYS 142 N -1.50 0.59 -3.94 -1.24 5.02 -1.20 -4.85 118.16 111.03 1oco n LYS 142 Ca 0.00 0.00 -0.40 0.00 -2.02 0.00 0.00 58.31 55.89 1oco n LYS 142 Cb 0.00 -1.25 0.02 0.00 -0.02 0.00 0.00 35.03 33.78 1oco n LYS 142 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1oco n ASN 143 N -0.75 -4.55 -3.56 4.39 3.02 0.17 -4.97 115.26 109.01 1oco n ASN 143 Ca 0.07 -1.18 -0.12 0.00 -0.03 0.00 0.00 54.58 53.32 1oco n ASN 143 Cb 0.03 -2.07 -0.04 0.00 -0.61 0.00 0.00 39.78 37.09 1oco n ASN 143 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1oco s GLU 144 N -6.74 1.11 -0.06 3.52 -1.05 -0.98 -4.99 118.70 109.51 1oco s GLU 144 Ca 0.42 -0.49 -0.30 0.00 -0.15 0.00 0.00 54.97 54.45 1oco s GLU 144 Cb -0.21 0.50 -0.06 0.00 -0.44 0.00 0.00 34.13 33.92 1oco s GLU 144 CO 0.94 -0.44 1.82 -1.58 0.95 0.00 0.00 175.26 176.95 1oco s TRP 145 N -3.34 1.66 0.20 4.83 0.52 -1.26 0.40 118.94 121.95 1oco s TRP 145 Ca -0.00 0.04 -0.32 0.00 0.02 0.00 0.00 56.10 55.83 1oco s TRP 145 Cb 0.00 -4.05 -0.14 0.00 -1.15 0.00 0.00 33.47 28.13 1oco s TRP 145 CO -0.09 -4.38 1.39 1.17 0.02 0.00 0.00 176.95 175.06 1oco n LYS 146 N 7.52 1.84 0.00 4.98 4.81 -0.87 -4.74 118.16 131.70 1oco n LYS 146 Ca 0.20 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 1oco n LYS 146 Cb 0.43 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.18 1oco n LYS 146 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74