#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 4.15 -0.06 0.44 1.01 -1.26 -5.03 120.40 119.64 1oco s VAL 5 Ca 0.00 1.68 -0.10 0.00 0.00 0.00 0.00 61.98 63.55 1oco s VAL 5 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 1oco s VAL 5 CO 0.00 0.20 0.26 -0.69 0.00 0.00 0.00 175.10 174.88 1oco s VAL 6 N 0.44 5.29 -0.08 2.92 1.01 -1.26 -5.10 120.40 123.62 1oco s VAL 6 Ca 0.53 0.49 0.04 0.00 0.00 0.00 0.00 61.98 63.04 1oco s VAL 6 Cb -0.27 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.55 1oco s VAL 6 CO 0.31 0.60 -0.21 -0.54 0.00 0.00 0.00 175.10 175.26 1oco s LYS 7 N -1.06 2.85 0.58 2.72 1.02 -1.26 -5.02 119.74 119.57 1oco s LYS 7 Ca 0.19 -0.83 0.27 0.00 0.02 0.00 0.00 55.97 55.62 1oco s LYS 7 Cb -0.14 -2.32 1.70 0.00 -0.52 0.00 0.00 37.83 36.55 1oco s LYS 7 CO 0.08 0.32 2.20 0.77 -0.92 0.00 0.00 175.35 177.80 1oco h SER 8 N 6.29 0.00 0.68 2.83 0.02 -2.04 0.40 113.55 121.73 1oco h SER 8 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1oco h SER 8 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 1oco h SER 8 CO 0.49 0.00 -0.05 -0.62 -1.14 0.00 0.00 176.83 175.51 1oco n GLU 9 N -3.95 0.29 -0.26 3.45 4.71 -1.26 -3.28 120.64 120.35 1oco n GLU 9 Ca -0.02 -0.04 0.01 0.00 -0.01 0.00 0.00 57.16 57.11 1oco n GLU 9 Cb 0.15 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.19 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 -1.32 2.38 0.32 1.62 8.00 0.14 -4.42 116.55 123.28 1oco n ASP 10 Ca 0.11 -2.27 0.19 0.00 0.71 0.00 0.00 54.79 53.54 1oco n ASP 10 Cb 0.29 -0.56 1.09 0.00 -0.02 0.00 0.00 41.12 41.92 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 1.05 0.00 -0.42 1.24 -0.00 -1.71 -2.05 116.97 115.08 1oco h TYR 11 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.74 1oco h TYR 11 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.69 1oco h TYR 11 CO 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.48 1oco n ALA 12 N -2.18 2.42 -2.85 0.10 0.00 -1.26 -4.97 120.51 111.77 1oco n ALA 12 Ca -0.03 -1.02 -0.29 0.00 0.00 0.00 0.00 53.44 52.10 1oco n ALA 12 Cb 0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.46 4.04 0.36 0.00 1.43 -0.77 -5.05 118.68 117.23 1oco s LEU 13 Ca 0.40 0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.31 1oco s LEU 13 Cb 0.23 -2.67 -0.12 0.00 0.03 0.00 0.00 46.19 43.66 1oco s LEU 13 CO 0.32 0.14 1.25 -2.65 0.23 0.00 0.00 176.35 175.64 1oco n PRO 14 N 0.14 1.99 -4.63 1.29 -0.02 -1.26 -4.98 135.00 127.53 1oco n PRO 14 Ca -0.07 0.70 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 1oco n PRO 14 Cb 0.52 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 1oco n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1oco n SER 15 N 0.66 2.64 -4.70 2.55 3.41 -1.26 -4.88 113.62 112.04 1oco n SER 15 Ca 0.06 -3.25 -0.32 0.00 -0.26 0.00 0.00 58.87 55.10 1oco n SER 15 Cb 0.37 0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 64.85 1oco n SER 15 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1oco s TYR 16 N -2.96 3.09 -0.25 7.33 5.04 -1.26 -3.48 117.35 124.86 1oco s TYR 16 Ca 0.08 0.07 -0.17 0.00 -2.44 0.00 0.00 57.07 54.61 1oco s TYR 16 Cb 0.00 -1.65 0.07 0.00 0.35 0.00 0.00 41.96 40.73 1oco s TYR 16 CO 0.05 0.47 0.62 0.54 -1.34 0.00 0.00 175.55 175.90 1oco s VAL 17 N -1.14 -0.00 -0.41 3.14 0.11 -1.26 -5.06 120.40 115.78 1oco s VAL 17 Ca 0.21 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 59.12 1oco s VAL 17 Cb -0.12 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 33.86 1oco s VAL 17 CO 0.12 0.01 0.37 -1.81 -3.33 0.00 0.00 175.10 170.46 1oco s ASP 18 N 1.08 6.16 -0.30 3.54 1.01 -1.26 -4.56 116.67 122.34 1oco s ASP 18 Ca -0.06 -0.73 -0.10 0.00 0.71 0.00 0.00 52.55 52.37 1oco s ASP 18 Cb -0.05 -2.19 0.17 0.00 1.01 0.00 0.00 42.92 41.85 1oco s ASP 18 CO -0.10 -0.50 0.82 0.00 0.21 0.00 0.00 175.17 175.59 1oco s ARG 19 N 1.93 0.41 0.05 8.23 1.70 -1.26 -5.06 118.95 124.94 1oco s ARG 19 Ca 0.09 0.88 0.03 0.00 -0.47 0.00 0.00 55.73 56.25 1oco s ARG 19 Cb -0.18 0.51 0.17 0.00 -0.57 0.00 0.00 34.95 34.88 1oco s ARG 19 CO 0.12 -0.29 0.20 0.54 -1.08 0.00 0.00 175.30 174.79 1oco n ARG 20 N 5.31 -0.01 -0.46 3.89 1.74 -1.26 0.52 116.66 126.40 1oco n ARG 20 Ca -0.07 0.18 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 1oco n ARG 20 Cb 0.52 -0.32 0.25 0.00 -1.02 0.00 0.00 32.46 31.88 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 -3.33 3.52 -2.86 0.55 5.75 -1.26 -4.15 116.55 114.77 1oco n ASP 21 Ca 0.05 -2.37 -0.12 0.00 -0.01 0.00 0.00 54.79 52.34 1oco n ASP 21 Cb 0.16 -0.51 0.04 0.00 -1.03 0.00 0.00 41.12 39.79 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 0.61 -2.24 -0.15 2.11 9.36 0.19 -5.01 117.16 122.02 1oco n TYR 22 Ca 0.17 -2.46 0.11 0.00 3.32 0.00 0.00 57.90 59.05 1oco n TYR 22 Cb 0.69 1.07 0.44 0.00 -0.63 0.00 0.00 39.34 40.91 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 3.38 0.53 -3.59 2.98 0.13 -1.72 -3.35 132.00 130.36 1oco h PRO 23 Ca -0.06 -0.03 -0.70 0.00 -0.87 0.00 0.00 66.00 64.33 1oco h PRO 23 Cb 1.04 -0.12 -0.35 0.00 0.13 0.00 0.00 31.00 31.70 1oco h PRO 23 CO 0.28 0.35 -0.33 -0.51 -0.23 0.00 0.00 178.00 177.57 1oco s LEU 24 N -9.51 5.35 1.17 1.56 1.43 -1.26 -4.95 118.68 112.48 1oco s LEU 24 Ca -0.09 -2.87 -0.13 0.00 -1.03 0.00 0.00 54.13 50.02 1oco s LEU 24 Cb 0.20 -1.88 0.27 0.00 0.03 0.00 0.00 46.19 44.81 1oco s LEU 24 CO 0.76 -0.38 0.93 -0.81 0.23 0.00 0.00 176.35 177.08 1oco n PRO 25 N 3.49 -2.39 0.00 1.29 -0.04 -1.26 -4.93 135.00 131.16 1oco n PRO 25 Ca 0.09 -0.67 0.15 0.00 -0.04 0.00 0.00 63.50 63.03 1oco n PRO 25 Cb 0.38 -2.13 0.76 0.00 -0.04 0.00 0.00 33.50 32.47 1oco n PRO 25 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1oco n ASP 26 N -4.68 0.37 -3.93 3.54 8.00 -1.24 -4.87 116.55 113.73 1oco n ASP 26 Ca 0.03 -0.82 -0.10 0.00 0.71 0.00 0.00 54.79 54.61 1oco n ASP 26 Cb 0.55 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.22 0.12 0.38 2.53 1.01 -1.23 -4.84 120.40 116.15 1oco s VAL 27 Ca 0.38 -0.99 -0.24 0.00 0.00 0.00 0.00 61.98 61.13 1oco s VAL 27 Cb 0.21 -0.69 -0.10 0.00 0.00 0.00 0.00 36.38 35.80 1oco s VAL 27 CO 0.41 -0.55 0.97 0.00 0.00 0.00 0.00 175.10 175.93 1oco s ALA 28 N -2.15 3.12 0.45 5.51 0.00 -1.26 -4.75 121.76 122.68 1oco s ALA 28 Ca -0.09 0.51 0.14 0.00 0.00 0.00 0.00 51.96 52.52 1oco s ALA 28 Cb -0.04 -3.19 1.03 0.00 0.00 0.00 0.00 23.12 20.92 1oco s ALA 28 CO -0.03 0.08 2.02 1.25 0.00 0.00 0.00 175.76 179.08 1oco h HIS 29 N 2.57 0.04 -3.21 0.00 2.76 -0.98 -3.40 115.15 112.93 1oco h HIS 29 Ca -0.48 -0.00 -0.57 0.00 -2.20 0.00 0.00 60.37 57.12 1oco h HIS 29 Cb 1.19 -0.01 -0.37 0.00 1.55 0.00 0.00 27.41 29.77 1oco h HIS 29 CO 0.61 0.17 -0.81 0.08 -1.30 0.00 0.00 177.93 176.68 1oco s VAL 30 N -4.75 1.29 -0.16 5.26 1.01 -0.35 -3.01 120.40 119.69 1oco s VAL 30 Ca -0.04 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1oco s VAL 30 Cb 0.16 -1.30 -0.23 0.00 0.00 0.00 0.00 36.38 35.00 1oco s VAL 30 CO 0.70 0.33 0.35 0.11 0.00 0.00 0.00 175.10 176.59 1oco h LYS 31 N 8.10 0.13 -5.75 2.72 6.56 -1.89 -3.46 116.57 122.98 1oco h LYS 31 Ca -0.31 -0.23 -0.61 0.00 -1.06 0.00 0.00 60.65 58.44 1oco h LYS 31 Cb 1.13 0.08 -0.12 0.00 -0.57 0.00 0.00 32.23 32.75 1oco h LYS 31 CO 0.45 1.11 0.35 -0.80 -2.06 0.00 0.00 179.45 178.50 1oco s ASN 32 N -6.93 6.53 0.03 0.86 0.01 -1.26 -5.04 114.94 109.14 1oco s ASN 32 Ca -0.25 0.30 -0.07 0.00 -0.71 0.00 0.00 52.86 52.14 1oco s ASN 32 Cb 0.05 -2.39 -0.05 0.00 0.41 0.00 0.00 41.25 39.28 1oco s ASN 32 CO 0.68 -0.73 0.30 -0.76 -1.51 0.00 0.00 177.10 175.09 1oco s LEU 33 N 3.06 4.36 0.58 0.60 1.43 -1.26 -5.08 118.68 122.37 1oco s LEU 33 Ca 0.30 0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1oco s LEU 33 Cb -0.13 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.32 1oco s LEU 33 CO 0.17 0.22 0.84 -0.94 0.23 0.00 0.00 176.35 176.87 1oco s SER 34 N -1.81 5.36 0.19 2.29 1.04 -1.26 -4.80 113.70 114.71 1oco s SER 34 Ca 0.30 0.35 -0.21 0.00 0.48 0.00 0.00 55.95 56.87 1oco s SER 34 Cb -0.13 -1.28 0.13 0.00 0.10 0.00 0.00 66.02 64.84 1oco s SER 34 CO 0.18 -1.14 1.58 0.00 0.98 0.00 0.00 173.24 174.83 1oco h ALA 35 N -0.09 -0.04 -0.90 5.32 0.00 -1.99 0.30 119.26 121.87 1oco h ALA 35 Ca -0.44 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1oco h ALA 35 Cb 1.28 0.82 -0.04 0.00 0.00 0.00 0.00 17.79 19.85 1oco h ALA 35 CO 0.57 -0.68 0.53 0.66 0.00 0.00 0.00 179.25 180.34 1oco h SER 36 N -0.15 1.08 -0.34 0.00 4.64 -1.99 -1.65 113.55 115.15 1oco h SER 36 Ca 0.24 -0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 1oco h SER 36 Cb 0.56 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1oco h SER 36 CO -0.72 0.84 0.03 1.56 -0.87 0.00 0.00 176.83 177.66 1oco h GLN 37 N 1.23 0.58 -0.89 4.77 4.20 -1.05 0.26 115.11 124.22 1oco h GLN 37 Ca 0.32 -0.17 0.14 0.00 0.06 0.00 0.00 58.65 59.00 1oco h GLN 37 Cb -0.04 -0.06 -0.09 0.00 0.30 0.00 0.00 27.48 27.59 1oco h GLN 37 CO -0.06 0.68 0.49 0.87 -0.67 0.00 0.00 178.83 180.14 1oco h LYS 38 N 0.39 0.69 -0.39 1.46 1.57 -0.26 0.43 116.57 120.46 1oco h LYS 38 Ca 0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1oco h LYS 38 Cb 0.40 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1oco h LYS 38 CO 0.01 0.46 0.02 0.00 -0.57 0.00 0.00 179.45 179.37 1oco h ALA 39 N 1.55 0.52 -0.50 3.86 0.00 -0.51 -0.61 119.26 123.57 1oco h ALA 39 Ca 0.47 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1oco h ALA 39 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1oco h ALA 39 CO -0.34 0.28 0.31 1.25 0.00 0.00 0.00 179.25 180.75 1oco h LEU 40 N 0.50 0.60 -1.76 0.00 6.46 0.16 -0.25 115.31 121.02 1oco h LEU 40 Ca 0.11 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 57.86 1oco h LEU 40 Cb 0.44 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.20 1oco h LEU 40 CO 0.02 0.48 0.23 0.11 -0.62 0.00 0.00 178.44 178.66 1oco h LYS 41 N 0.68 0.30 -0.32 1.25 1.79 0.00 -0.72 116.57 119.55 1oco h LYS 41 Ca 0.18 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.54 1oco h LYS 41 Cb -0.01 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 1oco h LYS 41 CO -0.03 0.20 -0.15 0.93 -1.08 0.00 0.00 179.45 179.31 1oco h GLU 42 N 0.31 0.67 -0.80 3.15 4.39 0.53 -3.01 114.58 119.83 1oco h GLU 42 Ca 0.15 -0.29 0.10 0.00 0.34 0.00 0.00 59.36 59.65 1oco h GLU 42 Cb 0.19 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1oco h GLU 42 CO -0.03 0.88 0.52 0.87 -1.16 0.00 0.00 179.01 180.09 1oco h LYS 43 N 0.44 0.70 -0.33 2.33 1.57 0.03 -2.00 116.57 119.31 1oco h LYS 43 Ca 0.07 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.91 1oco h LYS 43 Cb 0.68 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1oco h LYS 43 CO 0.05 0.47 0.24 1.49 -0.57 0.00 0.00 179.45 181.12 1oco h GLU 44 N 0.72 0.00 0.00 3.15 4.81 -1.27 0.20 114.58 122.20 1oco h GLU 44 Ca 0.37 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1oco h GLU 44 Cb 0.47 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1oco h GLU 44 CO -0.14 0.00 -0.08 0.87 -0.73 0.00 0.00 179.01 178.92 1oco h LYS 45 N 0.00 0.00 0.00 1.92 1.57 -1.45 -3.44 116.57 115.18 1oco h LYS 45 Ca 0.16 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1oco h LYS 45 Cb 0.64 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.96 1oco h LYS 45 CO -0.00 0.08 0.04 0.00 -0.57 0.00 0.00 179.45 179.00 1oco n ALA 46 N -2.17 -0.10 -2.11 3.86 0.00 0.72 -5.01 120.51 115.69 1oco n ALA 46 Ca -0.01 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1oco n ALA 46 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 19.45 19.72 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 -1.62 6.77 0.56 0.00 0.15 -1.26 -4.90 113.70 113.40 1oco s SER 47 Ca 0.10 2.34 0.36 0.00 0.70 0.00 0.00 55.95 59.45 1oco s SER 47 Cb -0.00 -2.58 1.73 0.00 -1.71 0.00 0.00 66.02 63.45 1oco s SER 47 CO 0.07 -0.73 2.09 -0.50 1.20 0.00 0.00 173.24 175.37 1oco h TRP 48 N 7.30 0.00 -0.03 3.44 6.55 -1.89 -2.20 115.95 129.12 1oco h TRP 48 Ca -0.41 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.42 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 0.70 0.00 -0.00 0.77 -1.05 0.00 0.00 178.44 178.86 1oco h SER 49 N 0.00 0.04 -0.05 -3.49 0.02 -2.00 -1.61 113.55 106.45 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 0.29 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.82 1oco h SER 49 CO 0.00 0.05 0.00 -1.54 -1.14 0.00 0.00 176.83 174.20 1oco n SER 50 N -4.51 0.74 -4.87 3.07 3.41 -0.82 -4.87 113.62 105.77 1oco n SER 50 Ca -0.02 -1.45 -0.33 0.00 -0.26 0.00 0.00 58.87 56.80 1oco n SER 50 Cb 0.11 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.70 4.24 0.25 1.04 1.43 -0.61 -5.08 118.68 118.26 1oco s LEU 51 Ca 0.34 0.88 -0.16 0.00 -1.03 0.00 0.00 54.13 54.16 1oco s LEU 51 Cb 0.17 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.87 1oco s LEU 51 CO 0.27 0.02 0.68 -0.94 0.23 0.00 0.00 176.35 176.61 1oco s SER 52 N -2.16 6.87 0.42 2.29 1.04 -1.26 -4.88 113.70 116.02 1oco s SER 52 Ca 0.42 1.26 0.27 0.00 0.48 0.00 0.00 55.95 58.38 1oco s SER 52 Cb -0.12 -2.36 1.36 0.00 0.10 0.00 0.00 66.02 64.99 1oco s SER 52 CO 0.21 -0.06 1.64 0.40 0.98 0.00 0.00 173.24 176.41 1oco h ILE 53 N 2.38 0.16 -0.42 -1.02 2.04 -1.98 0.86 117.51 119.53 1oco h ILE 53 Ca -0.48 -0.04 -0.14 0.00 1.00 0.00 0.00 64.86 65.20 1oco h ILE 53 Cb 1.18 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 1oco h ILE 53 CO 0.66 0.02 -0.28 0.44 0.00 0.00 0.00 178.15 178.99 1oco h ASP 54 N 0.13 0.98 -0.75 1.72 3.32 -1.99 -0.81 116.42 119.02 1oco h ASP 54 Ca 0.80 -0.43 -0.06 0.00 0.02 0.00 0.00 57.03 57.36 1oco h ASP 54 Cb 2.36 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 41.61 1oco h ASP 54 CO -0.46 1.20 0.25 -0.33 -1.72 0.00 0.00 179.24 178.18 1oco h GLU 55 N 0.77 1.15 -0.72 3.56 5.08 0.32 -0.18 114.58 124.56 1oco h GLU 55 Ca 0.08 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1oco h GLU 55 Cb 0.87 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1oco h GLU 55 CO 0.08 0.97 0.23 0.87 -1.00 0.00 0.00 179.01 180.16 1oco h LYS 56 N 1.11 1.12 0.11 2.33 1.57 -0.91 0.14 116.57 122.04 1oco h LYS 56 Ca 0.24 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1oco h LYS 56 Cb 0.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1oco h LYS 56 CO -0.01 0.95 -0.05 0.28 -0.57 0.00 0.00 179.45 180.05 1oco h VAL 57 N 1.06 1.08 -0.95 0.50 2.07 -0.74 -0.57 116.25 118.71 1oco h VAL 57 Ca 0.23 -0.87 0.16 0.00 0.82 0.00 0.00 66.70 67.04 1oco h VAL 57 Cb 0.30 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 1oco h VAL 57 CO -0.01 0.20 0.60 -0.08 0.02 0.00 0.00 177.57 178.31 1oco h GLU 58 N -0.56 0.73 -0.40 1.57 4.81 -0.86 0.42 114.58 120.28 1oco h GLU 58 Ca -0.02 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1oco h GLU 58 Cb 0.45 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1oco h GLU 58 CO 0.03 0.48 0.26 1.25 -0.73 0.00 0.00 179.01 180.30 1oco h LEU 59 N 0.75 0.47 -0.49 1.64 5.85 -0.46 -2.17 115.31 120.92 1oco h LEU 59 Ca 0.49 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 59.15 1oco h LEU 59 Cb 0.76 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1oco h LEU 59 CO -0.26 0.37 0.17 0.22 -0.34 0.00 0.00 178.44 178.60 1oco h TYR 60 N 0.54 0.76 0.00 1.25 5.03 0.13 -2.71 116.97 121.98 1oco h TYR 60 Ca 0.15 -0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.39 1oco h TYR 60 Cb -0.03 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 38.02 1oco h TYR 60 CO -0.04 0.66 0.00 0.54 -1.32 0.00 0.00 178.16 178.00 1oco n ARG 61 N -4.53 0.42 0.05 1.82 5.12 0.49 -1.70 116.66 118.33 1oco n ARG 61 Ca 0.01 0.06 -0.20 0.00 -1.93 0.00 0.00 57.85 55.79 1oco n ARG 61 Cb 0.18 -1.50 -0.14 0.00 -1.16 0.00 0.00 32.46 29.83 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 0.48 0.04 0.55 5.85 -1.05 -3.40 115.31 117.77 1oco h LEU 62 Ca 0.00 -0.79 -0.07 0.00 0.84 0.00 0.00 57.88 57.86 1oco h LEU 62 Cb 0.11 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1oco h LEU 62 CO 0.00 1.68 -0.34 0.50 -0.34 0.00 0.00 178.44 179.94 1oco h LYS 63 N 0.08 0.08 -6.54 1.25 1.63 -1.48 -0.89 116.57 110.70 1oco h LYS 63 Ca -0.34 -0.13 -0.68 0.00 -0.85 0.00 0.00 60.65 58.65 1oco h LYS 63 Cb 2.06 0.05 -0.21 0.00 -0.60 0.00 0.00 32.23 33.53 1oco h LYS 63 CO 0.15 1.06 -0.79 -0.06 -3.45 0.00 0.00 179.45 176.36 1oco s PHE 64 N -2.29 2.60 -0.05 1.91 0.08 -0.69 -1.05 117.98 118.49 1oco s PHE 64 Ca -0.19 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 56.48 1oco s PHE 64 Cb -0.01 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 40.85 1oco s PHE 64 CO 0.72 0.27 0.65 -0.22 -0.10 0.00 0.00 175.22 176.53 1oco h LYS 65 N 4.52 -0.32 -4.83 0.44 3.64 -1.87 -3.40 116.57 114.75 1oco h LYS 65 Ca -0.48 0.02 -0.34 0.00 -1.27 0.00 0.00 60.65 58.59 1oco h LYS 65 Cb 1.16 0.07 -0.22 0.00 -0.41 0.00 0.00 32.23 32.82 1oco h LYS 65 CO 0.48 -0.04 -0.76 -1.83 -2.27 0.00 0.00 179.45 175.04 1oco s GLU 66 N -3.10 0.64 0.67 1.90 -1.05 -1.26 -5.02 118.70 111.48 1oco s GLU 66 Ca -0.09 -0.75 -0.12 0.00 -0.15 0.00 0.00 54.97 53.86 1oco s GLU 66 Cb 0.00 -0.52 -0.00 0.00 -0.44 0.00 0.00 34.13 33.17 1oco s GLU 66 CO 0.31 0.11 1.06 -1.54 0.95 0.00 0.00 175.26 176.16 1oco s SER 67 N -1.41 5.49 0.44 0.83 1.04 -1.26 -4.78 113.70 114.05 1oco s SER 67 Ca -0.05 1.67 0.22 0.00 0.48 0.00 0.00 55.95 58.26 1oco s SER 67 Cb -0.09 -2.50 1.19 0.00 0.10 0.00 0.00 66.02 64.72 1oco s SER 67 CO 0.01 -1.37 1.82 -0.26 0.98 0.00 0.00 173.24 174.42 1oco h PHE 68 N -0.41 0.47 -0.48 5.02 -1.00 -2.01 0.86 116.94 119.39 1oco h PHE 68 Ca -0.45 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.23 1oco h PHE 68 Cb 1.21 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.62 1oco h PHE 68 CO 0.61 0.08 -0.18 0.00 -1.61 0.00 0.00 178.31 177.21 1oco h ALA 69 N 1.58 0.78 -0.02 2.45 0.00 -1.95 0.09 119.26 122.20 1oco h ALA 69 Ca 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1oco h ALA 69 Cb 1.50 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1oco h ALA 69 CO -0.19 0.66 -0.06 0.93 0.00 0.00 0.00 179.25 180.59 1oco h GLU 70 N 0.82 0.07 0.00 0.00 5.08 -1.30 -2.90 114.58 116.36 1oco h GLU 70 Ca 0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1oco h GLU 70 Cb 0.74 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 1oco h GLU 70 CO 0.06 0.68 -0.11 0.00 -1.00 0.00 0.00 179.01 178.64 1oco h MET 71 N -0.53 0.00 -0.64 2.33 -0.00 -0.91 -1.13 114.93 114.05 1oco h MET 71 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1oco h MET 71 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.29 1oco h MET 71 CO 0.01 0.11 0.00 0.09 -0.00 0.00 0.00 176.91 177.13 1oco n ASN 72 N -3.74 4.54 -4.72 -0.10 3.02 0.01 -4.96 115.26 109.32 1oco n ASN 72 Ca -0.02 -2.49 -0.42 0.00 -0.03 0.00 0.00 54.58 51.63 1oco n ASN 72 Cb 0.22 -0.57 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -1.97 4.27 0.40 3.52 3.52 -0.43 -4.99 118.95 123.27 1oco s ARG 73 Ca 0.47 2.23 -0.21 0.00 -0.13 0.00 0.00 55.73 58.10 1oco s ARG 73 Cb 0.31 -3.19 -0.10 0.00 -1.56 0.00 0.00 34.95 30.41 1oco s ARG 73 CO 0.21 -0.51 0.91 -1.54 -0.81 0.00 0.00 175.30 173.56 1oco s SER 74 N 1.03 6.96 0.40 -2.12 1.04 -1.26 -5.07 113.70 114.68 1oco s SER 74 Ca 0.66 1.63 0.08 0.00 0.48 0.00 0.00 55.95 58.80 1oco s SER 74 Cb -0.41 -2.51 -0.05 0.00 0.10 0.00 0.00 66.02 63.15 1oco s SER 74 CO 0.32 -0.29 0.14 0.42 0.98 0.00 0.00 173.24 174.81 1oco s THR 75 N -2.07 2.37 -0.40 2.02 -4.23 -1.26 -5.02 115.64 107.05 1oco s THR 75 Ca 0.59 -1.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.45 1oco s THR 75 Cb -0.10 -2.97 0.65 0.00 1.34 0.00 0.00 72.50 71.41 1oco s THR 75 CO 0.15 -0.04 1.50 0.59 -0.54 0.00 0.00 174.62 176.29 1oco n ASN 76 N -1.18 4.76 -0.20 3.99 4.13 -1.26 -4.56 115.26 120.94 1oco n ASN 76 Ca -0.02 -2.76 -0.06 0.00 1.68 0.00 0.00 54.58 53.42 1oco n ASN 76 Cb 0.64 -0.65 0.03 0.00 -1.54 0.00 0.00 39.78 38.26 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 3.12 0.76 -1.24 3.52 4.81 -2.02 -2.99 114.58 120.54 1oco h GLU 77 Ca 0.01 -0.05 0.36 0.00 -0.13 0.00 0.00 59.36 59.56 1oco h GLU 77 Cb 1.71 -0.17 -0.09 0.00 0.63 0.00 0.00 28.75 30.83 1oco h GLU 77 CO 0.41 0.51 0.83 0.11 -0.73 0.00 0.00 179.01 180.14 1oco h TRP 78 N 0.77 0.41 -0.16 0.92 5.08 -2.00 0.23 115.95 121.22 1oco h TRP 78 Ca 0.21 0.02 -0.00 0.00 1.08 0.00 0.00 58.89 60.19 1oco h TRP 78 Cb -0.07 -0.11 -0.01 0.00 -3.00 0.00 0.00 29.16 25.97 1oco h TRP 78 CO -0.03 -0.05 0.08 0.87 -1.28 0.00 0.00 178.44 178.03 1oco h LYS 79 N 0.17 0.22 -0.56 0.12 1.57 -1.90 -0.00 116.57 116.20 1oco h LYS 79 Ca 0.69 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.43 1oco h LYS 79 Cb 2.21 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 34.45 1oco h LYS 79 CO -0.25 0.25 0.30 1.15 -0.57 0.00 0.00 179.45 180.33 1oco h THR 80 N 0.14 1.19 0.70 -0.16 2.02 -0.70 -1.07 112.91 115.04 1oco h THR 80 Ca 0.05 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.71 1oco h THR 80 Cb 0.09 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1oco h THR 80 CO -0.01 0.21 -0.34 0.58 0.37 0.00 0.00 175.52 176.33 1oco h VAL 81 N 0.76 0.29 0.79 3.16 2.07 -1.27 0.98 116.25 123.03 1oco h VAL 81 Ca 0.20 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1oco h VAL 81 Cb 0.06 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.14 1oco h VAL 81 CO -0.03 0.01 -0.43 0.58 0.02 0.00 0.00 177.57 177.71 1oco h VAL 82 N -0.98 0.12 -0.22 2.57 2.07 -0.96 -0.44 116.25 118.40 1oco h VAL 82 Ca -0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1oco h VAL 82 Cb 0.73 0.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.56 1oco h VAL 82 CO 0.16 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 178.76 1oco h GLY 83 N -1.14 -0.12 1.15 2.17 0.00 -1.25 0.25 103.07 104.13 1oco h GLY 83 Ca -0.11 0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.54 1oco h GLY 83 CO 0.14 -0.19 0.46 0.00 0.00 0.00 0.00 176.54 176.95 1oco h ALA 84 N 0.84 1.64 -0.51 3.60 0.00 -0.74 -0.04 119.26 124.05 1oco h ALA 84 Ca 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1oco h ALA 84 Cb 0.43 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1oco h ALA 84 CO -0.36 0.27 0.10 0.00 0.00 0.00 0.00 179.25 179.27 1oco h ALA 85 N 1.60 0.68 0.00 0.00 0.00 -0.23 -2.02 119.26 119.29 1oco h ALA 85 Ca 0.29 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1oco h ALA 85 Cb 0.13 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1oco h ALA 85 CO -0.09 0.40 -0.39 0.52 0.00 0.00 0.00 179.25 179.69 1oco h MET 86 N 0.72 0.00 -0.16 0.00 2.07 0.09 -0.12 114.93 117.53 1oco h MET 86 Ca 0.16 0.00 -0.07 0.00 -2.07 0.00 0.00 59.70 57.72 1oco h MET 86 Cb 0.37 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 1oco h MET 86 CO 0.01 0.39 -0.18 0.35 1.07 0.00 0.00 176.91 178.55 1oco h PHE 87 N 0.00 0.49 -0.01 -0.22 3.57 -0.81 0.13 116.94 120.07 1oco h PHE 87 Ca -0.00 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.26 1oco h PHE 87 Cb 0.70 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1oco h PHE 87 CO 0.00 0.80 -0.38 0.74 -2.23 0.00 0.00 178.31 177.23 1oco h PHE 88 N 0.04 0.03 -0.06 0.41 0.04 -1.14 0.33 116.94 116.59 1oco h PHE 88 Ca 0.02 -0.01 -0.19 0.00 2.80 0.00 0.00 57.97 60.59 1oco h PHE 88 Cb 0.72 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.86 1oco h PHE 88 CO 0.09 0.41 -0.78 0.82 -0.60 0.00 0.00 178.31 178.24 1oco h ILE 89 N 0.02 1.39 -0.50 -0.55 2.04 -0.95 -2.97 117.51 115.99 1oco h ILE 89 Ca -0.00 -2.23 -0.07 0.00 1.00 0.00 0.00 64.86 63.56 1oco h ILE 89 Cb 0.69 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.94 1oco h ILE 89 CO 0.05 0.67 0.03 1.23 0.00 0.00 0.00 178.15 180.13 1oco h GLY 90 N 1.30 0.89 0.83 5.37 0.00 0.95 -2.84 103.07 109.56 1oco h GLY 90 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 47.33 46.74 1oco h GLY 90 CO 0.13 0.54 0.27 -2.75 0.00 0.00 0.00 176.54 174.73 1oco h PHE 91 N 0.78 0.50 -1.02 5.60 3.57 -0.35 -2.37 116.94 123.65 1oco h PHE 91 Ca 0.15 0.02 0.25 0.00 3.53 0.00 0.00 57.97 61.92 1oco h PHE 91 Cb 0.43 -0.16 -0.11 0.00 2.79 0.00 0.00 35.95 38.90 1oco h PHE 91 CO 0.02 0.27 0.62 1.15 -2.23 0.00 0.00 178.31 178.15 1oco h THR 92 N 0.54 0.55 0.00 4.41 2.02 -1.34 0.14 112.91 119.23 1oco h THR 92 Ca 0.20 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 1oco h THR 92 Cb 0.06 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1oco h THR 92 CO -0.11 0.10 -0.04 0.00 0.37 0.00 0.00 175.52 175.84 1oco h ALA 93 N 1.68 1.34 -0.18 6.16 0.00 -1.42 0.97 119.26 127.82 1oco h ALA 93 Ca 0.62 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 55.31 1oco h ALA 93 Cb 1.29 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.08 1oco h ALA 93 CO -0.40 0.05 -0.62 -0.07 0.00 0.00 0.00 179.25 178.21 1oco h LEU 94 N 0.00 0.85 -0.39 0.00 3.38 -0.82 -1.40 115.31 116.94 1oco h LEU 94 Ca -0.00 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.38 1oco h LEU 94 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1oco h LEU 94 CO 0.01 1.31 0.23 -0.07 0.09 0.00 0.00 178.44 180.00 1oco h LEU 95 N 0.44 0.36 -0.98 1.67 3.38 -0.82 -0.78 115.31 118.58 1oco h LEU 95 Ca -0.03 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 1oco h LEU 95 Cb 1.24 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.87 1oco h LEU 95 CO 0.13 0.26 0.64 -0.07 0.09 0.00 0.00 178.44 179.50 1oco h LEU 96 N 0.46 1.09 -0.62 1.67 3.38 -1.20 -1.18 115.31 118.91 1oco h LEU 96 Ca 0.15 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1oco h LEU 96 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1oco h LEU 96 CO -0.07 0.76 0.08 0.40 0.09 0.00 0.00 178.44 179.69 1oco h ILE 97 N 1.27 1.26 -0.59 1.22 2.04 -0.65 -2.33 117.51 119.73 1oco h ILE 97 Ca 0.38 -1.05 -0.03 0.00 1.00 0.00 0.00 64.86 65.17 1oco h ILE 97 Cb -0.04 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 1oco h ILE 97 CO -0.11 0.39 0.26 -0.25 0.00 0.00 0.00 178.15 178.43 1oco h TRP 98 N 0.95 0.87 -0.08 1.37 7.01 -0.10 -1.76 115.95 124.21 1oco h TRP 98 Ca 0.19 -0.05 -0.08 0.00 2.11 0.00 0.00 58.89 61.06 1oco h TRP 98 Cb 0.46 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.25 1oco h TRP 98 CO 0.03 0.68 -0.30 1.05 -2.79 0.00 0.00 178.44 177.12 1oco h GLU 99 N 0.80 0.14 -0.07 2.65 4.11 -1.11 0.20 114.58 121.30 1oco h GLU 99 Ca 0.20 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 1oco h GLU 99 Cb 0.16 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1oco h GLU 99 CO -0.02 0.43 -0.03 -0.22 0.07 0.00 0.00 179.01 179.24 1oco h LYS 100 N 0.13 0.15 0.00 1.06 1.63 -1.02 0.20 116.57 118.72 1oco h LYS 100 Ca 0.02 -0.06 -0.11 0.00 -0.85 0.00 0.00 60.65 59.64 1oco h LYS 100 Cb 0.60 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.21 1oco h LYS 100 CO 0.04 0.51 -0.53 1.25 -3.45 0.00 0.00 179.45 177.27 1oco h HIS 101 N -0.21 0.00 0.00 1.91 2.76 -1.16 -3.29 115.15 115.17 1oco h HIS 101 Ca 0.02 0.00 -0.15 0.00 -2.20 0.00 0.00 60.37 58.03 1oco h HIS 101 Cb 0.46 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 1oco h HIS 101 CO 0.06 0.53 -1.58 0.66 -1.30 0.00 0.00 177.93 176.30 1oco n TYR 102 N -3.54 0.00 -0.12 5.26 4.01 0.68 -4.87 117.16 118.57 1oco n TYR 102 Ca -0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 1oco n TYR 102 Cb 0.62 -0.41 -0.12 0.00 -0.31 0.00 0.00 39.34 39.12 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 -2.46 1.53 -2.73 -0.72 0.31 0.25 -4.94 118.33 109.57 1oco n VAL 103 Ca -0.15 -0.51 -0.42 0.00 -0.01 0.00 0.00 64.34 63.25 1oco n VAL 103 Cb 0.75 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 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 3.43 0.00 3.52 2.02 0.46 -5.03 117.35 119.24 1oco s TYR 104 Ca -0.35 1.46 -0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1oco s TYR 104 Cb 0.10 -3.17 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 1oco s TYR 104 CO 0.59 -0.31 0.00 0.41 -1.57 0.00 0.00 175.55 174.66 1oco n GLY 105 N 3.27 -1.57 3.80 0.71 0.00 -1.26 -4.79 105.19 105.35 1oco n GLY 105 Ca 0.09 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.00 3.91 0.58 1.61 0.04 -1.26 -5.04 135.00 131.83 1oco s PRO 106 Ca 0.00 1.28 -0.07 0.00 0.04 0.00 0.00 61.00 62.25 1oco s PRO 106 Cb -0.00 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 1oco s PRO 106 CO 0.00 -0.33 0.92 0.96 0.04 0.00 0.00 177.00 178.59 1oco s ILE 107 N -2.06 4.17 0.83 0.56 -0.00 -1.26 -5.02 121.20 118.42 1oco s ILE 107 Ca 0.66 0.29 -0.16 0.00 -0.00 0.00 0.00 60.65 61.43 1oco s ILE 107 Cb -0.14 -3.65 -0.08 0.00 -0.00 0.00 0.00 42.46 38.59 1oco s ILE 107 CO 0.19 -0.72 -0.09 -0.81 -0.00 0.00 0.00 174.94 173.50 1oco n PRO 108 N -2.59 0.02 0.20 0.37 -0.04 -1.26 -4.88 135.00 126.82 1oco n PRO 108 Ca 0.04 0.03 0.14 0.00 -0.04 0.00 0.00 63.50 63.67 1oco n PRO 108 Cb 0.56 -1.39 0.60 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.78 0.00 0.00 0.54 2.07 -2.01 -2.81 115.15 112.16 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 -2.59 0.52 0.81 6.12 -2.24 -1.26 -2.64 114.28 113.00 1oco n THR 110 Ca 0.01 0.13 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1oco n THR 110 Cb 0.24 -0.89 0.08 0.00 -2.10 0.00 0.00 70.33 67.66 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 -1.25 0.13 -1.72 4.78 3.72 -1.06 -4.16 117.46 117.90 1oco n PHE 111 Ca 0.07 0.04 -0.41 0.00 -0.05 0.00 0.00 57.45 57.10 1oco n PHE 111 Cb 0.11 -0.29 0.01 0.00 -0.94 0.00 0.00 39.48 38.36 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 -1.71 2.11 -0.32 -1.08 1.02 -1.08 -4.72 120.64 114.86 1oco n GLU 112 Ca 0.04 0.75 0.04 0.00 -0.02 0.00 0.00 57.16 57.97 1oco n GLU 112 Cb 0.38 -2.47 0.11 0.00 -0.02 0.00 0.00 31.44 29.44 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 0.08 -0.09 -0.00 3.49 1.02 -1.26 -1.23 120.64 122.64 1oco n GLU 113 Ca 0.05 1.36 -0.13 0.00 -0.02 0.00 0.00 57.16 58.42 1oco n GLU 113 Cb 0.40 -2.02 -0.09 0.00 -0.02 0.00 0.00 31.44 29.70 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 0.01 -0.59 3.49 4.81 -1.97 -2.72 114.58 117.61 1oco h GLU 114 Ca 0.40 -0.00 0.10 0.00 -0.13 0.00 0.00 59.36 59.73 1oco h GLU 114 Cb 0.62 -0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.93 1oco h GLU 114 CO -0.89 0.39 0.18 2.35 -0.73 0.00 0.00 179.01 180.31 1oco h TRP 115 N -0.37 0.31 0.00 0.92 2.91 -1.48 0.98 115.95 119.21 1oco h TRP 115 Ca 0.00 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.01 1oco h TRP 115 Cb 0.39 -0.05 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 1oco h TRP 115 CO 0.06 0.05 -0.20 -0.39 -1.03 0.00 0.00 178.44 176.92 1oco h VAL 116 N 0.34 0.84 -0.09 2.65 -1.51 -1.34 0.25 116.25 117.39 1oco h VAL 116 Ca 0.30 -0.77 -0.23 0.00 -1.23 0.00 0.00 66.70 64.77 1oco h VAL 116 Cb 0.40 1.46 0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1oco h VAL 116 CO -0.34 0.20 -0.85 0.00 -1.23 0.00 0.00 177.57 175.35 1oco h ALA 117 N 1.80 0.23 -0.33 5.19 0.00 -0.55 0.29 119.26 125.89 1oco h ALA 117 Ca -0.00 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 1oco h ALA 117 Cb 0.44 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1oco h ALA 117 CO 0.03 0.66 -0.34 0.87 0.00 0.00 0.00 179.25 180.46 1oco h LYS 118 N 0.45 0.81 -0.55 0.00 1.79 -0.84 -1.86 116.57 116.37 1oco h LYS 118 Ca -0.08 -0.43 -0.05 0.00 -2.18 0.00 0.00 60.65 57.91 1oco h LYS 118 Cb 1.49 0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 32.14 1oco h LYS 118 CO 0.17 1.07 0.13 0.37 -1.08 0.00 0.00 179.45 180.10 1oco h GLN 119 N 0.58 0.84 -0.11 3.15 4.15 -0.43 -0.96 115.11 122.34 1oco h GLN 119 Ca 0.05 -0.18 -0.12 0.00 0.77 0.00 0.00 58.65 59.17 1oco h GLN 119 Cb 0.93 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 1oco h GLN 119 CO 0.08 0.76 -0.46 1.15 -1.93 0.00 0.00 178.83 178.44 1oco h THR 120 N 0.81 1.33 -0.17 2.39 2.02 -0.27 -1.59 112.91 117.44 1oco h THR 120 Ca 0.18 -1.64 -0.03 0.00 0.77 0.00 0.00 66.41 65.68 1oco h THR 120 Cb 0.31 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1oco h THR 120 CO -0.00 0.49 -0.01 0.50 0.37 0.00 0.00 175.52 176.88 1oco h LYS 121 N 0.22 0.30 -0.46 6.66 1.63 -0.80 -2.00 116.57 122.12 1oco h LYS 121 Ca 0.01 -0.10 0.02 0.00 -0.85 0.00 0.00 60.65 59.73 1oco h LYS 121 Cb 0.90 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 1oco h LYS 121 CO 0.07 0.53 0.27 -0.09 -3.45 0.00 0.00 179.45 176.78 1oco h ARG 122 N 0.04 0.53 -0.40 1.90 2.43 -0.94 0.30 114.38 118.24 1oco h ARG 122 Ca 0.05 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1oco h ARG 122 Cb 0.39 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 1oco h ARG 122 CO 0.01 0.35 0.21 0.52 -1.51 0.00 0.00 179.97 179.56 1oco h MET 123 N 0.55 0.42 0.00 0.20 2.86 -1.31 0.16 114.93 117.81 1oco h MET 123 Ca 0.18 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1oco h MET 123 Cb 0.01 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 1oco h MET 123 CO -0.08 0.28 -0.14 -0.07 1.06 0.00 0.00 176.91 177.96 1oco h LEU 124 N 0.43 0.00 -0.13 1.22 3.38 -0.56 0.40 115.31 120.05 1oco h LEU 124 Ca 0.17 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1oco h LEU 124 Cb 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.80 1oco h LEU 124 CO -0.10 0.14 -0.17 0.44 0.09 0.00 0.00 178.44 178.83 1oco h ASP 125 N 0.00 0.38 -0.10 -0.43 3.32 0.13 -2.45 116.42 117.27 1oco h ASP 125 Ca -0.00 -0.51 0.00 0.00 0.02 0.00 0.00 57.03 56.54 1oco h ASP 125 Cb 0.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1oco h ASP 125 CO 0.02 0.81 0.00 1.15 -1.72 0.00 0.00 179.24 179.50 1oco n MET 126 N -4.54 1.28 -3.84 3.56 0.00 0.39 -4.92 117.12 109.06 1oco n MET 126 Ca -0.06 -0.37 -0.24 0.00 0.00 0.00 0.00 57.70 57.02 1oco n MET 126 Cb 0.38 -1.15 0.01 0.00 0.00 0.00 0.00 33.22 32.46 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 -0.16 -4.12 -1.68 3.17 4.01 -0.25 -4.87 118.16 114.25 1oco n LYS 127 Ca 0.03 0.51 -0.47 0.00 -0.51 0.00 0.00 58.31 57.87 1oco n LYS 127 Cb 0.13 -4.87 -0.04 0.00 -0.51 0.00 0.00 35.03 29.73 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 -4.35 0.56 -3.47 -0.18 0.31 -0.03 -3.05 118.33 108.13 1oco n VAL 128 Ca -0.29 -0.10 -0.17 0.00 -0.01 0.00 0.00 64.34 63.77 1oco n VAL 128 Cb 0.68 -1.91 0.01 0.00 -0.91 0.00 0.00 33.84 31.71 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 6.53 -2.61 0.25 3.52 0.00 -1.26 -0.11 120.51 126.83 1oco n ALA 129 Ca 0.22 -0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1oco n ALA 129 Cb 0.31 -2.14 0.48 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.49 0.00 0.00 0.00 0.13 -1.89 -1.04 132.00 128.71 1oco h PRO 130 Ca -0.41 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.56 1oco h PRO 130 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.34 1oco h PRO 130 CO 0.38 0.03 -1.25 0.82 -0.23 0.00 0.00 178.00 177.75 1oco h ILE 131 N 0.00 0.61 0.00 -3.56 2.04 -1.90 -3.34 117.51 111.36 1oco h ILE 131 Ca -0.00 -2.10 0.00 0.00 1.00 0.00 0.00 64.86 63.76 1oco h ILE 131 Cb 0.72 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1oco h ILE 131 CO 0.00 0.35 0.00 0.00 0.00 0.00 0.00 178.15 178.50 1oco n GLN 132 N -2.97 0.00 0.19 2.37 6.02 -1.25 -4.93 117.38 116.82 1oco n GLN 132 Ca -0.07 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.84 1oco n GLN 132 Cb 0.83 -0.04 -0.04 0.00 1.02 0.00 0.00 30.24 32.02 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 -0.51 0.00 1.08 0.00 -1.88 -3.42 103.07 98.33 1oco h GLY 133 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1oco h GLY 133 CO 0.00 -0.18 0.00 0.33 0.00 0.00 0.00 176.54 176.69 1oco n PHE 134 N -3.58 0.00 0.27 5.60 7.35 -0.43 -4.76 117.46 121.91 1oco n PHE 134 Ca -0.06 0.00 0.16 0.00 -0.76 0.00 0.00 57.45 56.79 1oco n PHE 134 Cb 0.19 0.00 0.91 0.00 0.35 0.00 0.00 39.48 40.93 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 0.60 -2.13 0.02 -0.15 0.12 113.55 112.01 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 -2.29 1.58 -1.27 3.77 0.00 -1.14 -1.95 120.51 119.21 1oco n ALA 136 Ca -0.01 0.07 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1oco n ALA 136 Cb 0.17 -1.34 0.17 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.08 2.25 -3.96 0.00 5.02 0.42 -4.91 118.16 114.90 1oco n LYS 137 Ca 0.02 -3.06 -0.13 0.00 -2.02 0.00 0.00 58.31 53.12 1oco n LYS 137 Cb 0.19 -2.15 -0.14 0.00 -0.02 0.00 0.00 35.03 32.91 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 0.16 -0.71 2.13 -0.11 -0.82 -1.88 118.94 114.36 1oco s TRP 138 Ca 0.56 -0.07 -0.15 0.00 1.22 0.00 0.00 56.10 57.66 1oco s TRP 138 Cb 0.47 -0.10 0.18 0.00 -1.50 0.00 0.00 33.47 32.52 1oco s TRP 138 CO 0.09 -0.02 0.67 0.34 -4.62 0.00 0.00 176.95 173.41 1oco s ASP 139 N -0.17 6.53 0.65 5.86 -1.08 0.21 -4.57 116.67 124.09 1oco s ASP 139 Ca -0.01 -2.30 0.42 0.00 -0.52 0.00 0.00 52.55 50.13 1oco s ASP 139 Cb -0.01 -2.22 2.31 0.00 -1.46 0.00 0.00 42.92 41.54 1oco s ASP 139 CO -0.00 -0.71 2.35 1.88 0.52 0.00 0.00 175.17 179.21 1oco h TYR 140 N 8.26 0.00 0.00 -5.34 0.05 -1.92 0.46 116.97 118.48 1oco h TYR 140 Ca -0.06 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.72 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 0.92 0.00 0.00 -0.25 -1.05 0.00 0.00 178.16 177.78 1oco n ASP 141 N -3.25 0.00 0.00 3.88 8.00 -1.26 -3.91 116.55 120.01 1oco n ASP 141 Ca -0.03 0.34 0.05 0.00 0.71 0.00 0.00 54.79 55.87 1oco n ASP 141 Cb 0.07 -0.27 0.32 0.00 -0.02 0.00 0.00 41.12 41.23 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 -1.30 0.49 -3.88 -1.24 5.02 -1.21 -4.85 118.16 111.18 1oco n LYS 142 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1oco n LYS 142 Cb 0.00 -1.34 0.03 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.84 -4.74 -3.57 4.39 3.02 0.16 -4.98 115.26 108.69 1oco n ASN 143 Ca 0.08 -1.14 -0.13 0.00 -0.03 0.00 0.00 54.58 53.36 1oco n ASN 143 Cb 0.04 -2.39 -0.05 0.00 -0.61 0.00 0.00 39.78 36.77 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 -6.60 1.08 -0.06 3.52 -1.05 -0.94 -4.99 118.70 109.66 1oco s GLU 144 Ca 0.44 -0.41 -0.30 0.00 -0.15 0.00 0.00 54.97 54.56 1oco s GLU 144 Cb -0.21 0.49 -0.07 0.00 -0.44 0.00 0.00 34.13 33.90 1oco s GLU 144 CO 0.92 -0.41 1.88 -1.58 0.95 0.00 0.00 175.26 177.01 1oco s TRP 145 N -3.03 1.55 0.22 4.83 0.52 -1.26 0.65 118.94 122.42 1oco s TRP 145 Ca -0.02 -0.03 -0.32 0.00 0.02 0.00 0.00 56.10 55.76 1oco s TRP 145 Cb -0.00 -4.08 -0.14 0.00 -1.15 0.00 0.00 33.47 28.10 1oco s TRP 145 CO -0.06 -4.59 1.40 1.17 0.02 0.00 0.00 176.95 174.88 1oco n LYS 146 N 7.62 1.93 0.00 4.98 4.81 -0.79 -4.74 118.16 131.97 1oco n LYS 146 Ca 0.20 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.33 1oco n LYS 146 Cb 0.43 -2.34 0.00 0.00 0.02 0.00 0.00 35.03 33.14 1oco n LYS 146 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74