#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jts s LEU 15 N 0.00 2.94 0.22 1.47 2.01 -0.68 -5.04 118.68 119.60 1jts s LEU 15 Ca 0.00 1.25 -0.27 0.00 0.01 0.00 0.00 54.13 55.12 1jts s LEU 15 Cb 0.00 -4.08 -0.09 0.00 0.01 0.00 0.00 46.19 42.04 1jts s LEU 15 CO 0.00 -1.34 0.87 -0.47 1.01 0.00 0.00 176.35 176.41 1jts s TYR 16 N -3.27 3.91 -0.27 0.29 6.14 -1.26 -4.66 117.35 118.22 1jts s TYR 16 Ca 0.58 1.77 -0.22 0.00 0.64 0.00 0.00 57.07 59.84 1jts s TYR 16 Cb -0.12 -2.87 0.08 0.00 0.42 0.00 0.00 41.96 39.47 1jts s TYR 16 CO 0.53 0.45 0.73 -0.08 0.64 0.00 0.00 175.55 177.82 1jts s THR 17 N -1.24 0.00 -1.70 4.34 -1.32 -1.26 -4.99 115.64 109.47 1jts s THR 17 Ca 0.40 0.00 0.05 0.00 -1.21 0.00 0.00 61.69 60.93 1jts s THR 17 Cb -0.24 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.86 1jts s THR 17 CO 0.28 0.00 0.87 0.54 -2.21 0.00 0.00 174.62 174.10 1jts n ARG 18 N 3.21 0.10 -1.77 7.08 1.74 -1.26 -4.57 116.66 121.20 1jts n ARG 18 Ca -0.16 0.13 -0.42 0.00 -0.77 0.00 0.00 57.85 56.62 1jts n ARG 18 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1jts n ARG 18 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jts s ASN 19 N -2.30 5.55 0.00 0.55 3.84 -1.26 -4.84 114.94 116.48 1jts s ASN 19 Ca 0.06 1.57 -0.00 0.00 0.21 0.00 0.00 52.86 54.69 1jts s ASN 19 Cb 0.03 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.20 1jts s ASN 19 CO 0.06 -1.94 1.76 -0.90 -2.79 0.00 0.00 177.10 173.30 1jts n ASP 20 N 11.46 4.49 -4.80 -4.21 5.75 -1.26 -4.86 116.55 123.12 1jts n ASP 20 Ca 0.27 -2.19 -0.38 0.00 -0.01 0.00 0.00 54.79 52.48 1jts n ASP 20 Cb 0.46 -0.96 -0.06 0.00 -1.03 0.00 0.00 41.12 39.53 1jts n ASP 20 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jts s VAL 21 N 0.38 5.04 0.14 2.12 1.01 -1.26 -5.00 120.40 122.82 1jts s VAL 21 Ca 0.03 0.91 -0.35 0.00 0.00 0.00 0.00 61.98 62.58 1jts s VAL 21 Cb 0.02 -3.76 -0.16 0.00 0.00 0.00 0.00 36.38 32.47 1jts s VAL 21 CO 0.00 0.50 1.30 -1.54 0.00 0.00 0.00 175.10 175.36 1jts n SER 22 N 2.39 1.74 0.12 3.32 3.41 -1.26 -4.63 113.62 118.70 1jts n SER 22 Ca -0.11 1.13 0.19 0.00 -0.26 0.00 0.00 58.87 59.81 1jts n SER 22 Cb 0.52 -1.24 0.70 0.00 -0.26 0.00 0.00 64.21 63.93 1jts n SER 22 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jts h ASP 23 N 4.21 0.00 0.32 4.04 5.19 -1.96 0.52 116.42 128.74 1jts h ASP 23 Ca -0.46 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.94 1jts h ASP 23 Cb 1.33 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.84 1jts h ASP 23 CO 0.76 0.00 -0.15 -1.28 -3.12 0.00 0.00 179.24 175.44 1jts h SER 24 N 0.00 -0.36 -0.24 6.45 0.87 -2.00 -2.76 113.55 115.50 1jts h SER 24 Ca 0.18 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 60.79 1jts h SER 24 Cb 1.23 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 63.25 1jts h SER 24 CO -0.00 -0.16 0.00 -0.08 -0.53 0.00 0.00 176.83 176.06 1jts h GLU 25 N -0.63 0.07 -0.23 2.24 4.57 -1.15 -1.96 114.58 117.49 1jts h GLU 25 Ca -0.04 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1jts h GLU 25 Cb 0.33 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.86 1jts h GLU 25 CO 0.07 0.05 -0.23 0.87 -1.18 0.00 0.00 179.01 178.59 1jts h LYS 26 N 0.08 -0.12 -0.77 1.92 1.57 -0.21 0.37 116.57 119.41 1jts h LYS 26 Ca 0.11 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.04 1jts h LYS 26 Cb 0.14 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1jts h LYS 26 CO -0.19 -0.08 0.32 0.87 -0.57 0.00 0.00 179.45 179.81 1jts h LYS 27 N -0.12 0.46 0.19 3.15 1.57 -1.35 0.95 116.57 121.41 1jts h LYS 27 Ca 0.04 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1jts h LYS 27 Cb 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1jts h LYS 27 CO -0.28 0.30 -0.34 0.00 -0.57 0.00 0.00 179.45 178.56 1jts h ALA 28 N 1.55 -0.63 0.33 3.86 0.00 -0.21 -2.35 119.26 121.82 1jts h ALA 28 Ca 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1jts h ALA 28 Cb 0.64 0.54 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jts h ALA 28 CO -0.40 -0.91 -0.20 1.15 0.00 0.00 0.00 179.25 178.89 1jts h THR 29 N -0.61 0.57 -1.20 0.00 2.02 0.40 -2.25 112.91 111.85 1jts h THR 29 Ca 0.01 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.54 1jts h THR 29 Cb 0.61 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.50 1jts h THR 29 CO -0.16 0.00 0.81 0.58 0.37 0.00 0.00 175.52 177.12 1jts h VAL 30 N -0.52 0.36 -0.01 3.16 2.07 -0.71 0.36 116.25 120.96 1jts h VAL 30 Ca -0.04 -0.07 -0.21 0.00 0.82 0.00 0.00 66.70 67.21 1jts h VAL 30 Cb 0.43 0.15 0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1jts h VAL 30 CO 0.04 0.03 -0.81 -0.33 0.02 0.00 0.00 177.57 176.52 1jts h GLU 31 N 0.19 0.57 -0.47 1.57 4.39 -0.96 -2.30 114.58 117.56 1jts h GLU 31 Ca 0.66 -0.60 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1jts h GLU 31 Cb 2.11 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 30.90 1jts h GLU 31 CO -0.24 1.21 0.31 1.25 -1.16 0.00 0.00 179.01 180.39 1jts h LEU 32 N 0.16 0.54 0.37 1.33 5.85 0.18 -2.47 115.31 121.27 1jts h LEU 32 Ca -0.10 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.58 1jts h LEU 32 Cb 1.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.39 1jts h LEU 32 CO 0.16 0.40 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.41 1jts h LEU 33 N 0.63 -0.43 -1.93 2.25 3.38 -1.06 -2.79 115.31 115.37 1jts h LEU 33 Ca 0.17 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.11 1jts h LEU 33 Cb -0.07 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1jts h LEU 33 CO -0.04 -0.10 0.44 0.78 0.09 0.00 0.00 178.44 179.61 1jts h ASN 34 N -0.78 0.00 0.60 -0.43 2.35 -1.39 0.27 115.58 116.21 1jts h ASN 34 Ca -0.05 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1jts h ASN 34 Cb 0.52 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.90 1jts h ASN 34 CO 0.08 0.00 -0.29 -0.09 -1.65 0.00 0.00 177.43 175.49 1jts h ARG 35 N 0.00 -0.78 -0.58 0.81 2.43 -1.18 -2.48 114.38 112.59 1jts h ARG 35 Ca 0.15 0.05 0.06 0.00 -0.81 0.00 0.00 59.98 59.43 1jts h ARG 35 Cb 1.03 0.18 -0.06 0.00 -0.42 0.00 0.00 29.97 30.70 1jts h ARG 35 CO -0.00 -0.49 0.28 1.96 -1.51 0.00 0.00 179.97 180.21 1jts h GLN 36 N -1.17 0.51 -0.34 0.20 1.08 -0.55 -1.85 115.11 112.99 1jts h GLN 36 Ca -0.08 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1jts h GLN 36 Cb 0.65 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.88 1jts h GLN 36 CO 0.14 0.34 -0.20 0.28 -0.95 0.00 0.00 178.83 178.44 1jts h VAL 37 N 0.53 0.44 -0.37 -0.54 2.07 -0.62 0.39 116.25 118.15 1jts h VAL 37 Ca 0.27 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.83 1jts h VAL 37 Cb 0.22 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1jts h VAL 37 CO -0.21 0.00 0.15 0.40 0.02 0.00 0.00 177.57 177.93 1jts h ILE 38 N -0.15 0.93 -0.66 4.57 2.04 -1.04 0.88 117.51 124.07 1jts h ILE 38 Ca 0.17 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1jts h ILE 38 Cb 0.41 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jts h ILE 38 CO -0.43 0.06 0.33 -0.61 0.00 0.00 0.00 178.15 177.50 1jts h GLN 39 N 0.31 0.94 -0.06 2.37 4.15 -0.47 -2.22 115.11 120.14 1jts h GLN 39 Ca 0.16 -0.13 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 1jts h GLN 39 Cb 0.12 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.63 1jts h GLN 39 CO -0.15 0.73 -0.08 0.74 -1.93 0.00 0.00 178.83 178.15 1jts h PHE 40 N 0.91 0.20 -0.85 3.99 -1.00 0.08 -1.07 116.94 119.19 1jts h PHE 40 Ca 0.23 -0.06 0.13 0.00 2.81 0.00 0.00 57.97 61.08 1jts h PHE 40 Cb 0.09 -0.04 -0.09 0.00 3.61 0.00 0.00 35.95 39.52 1jts h PHE 40 CO 0.00 0.64 0.46 0.82 -1.61 0.00 0.00 178.31 178.62 1jts h ILE 41 N -0.30 0.78 -0.23 -0.55 2.04 -0.80 0.13 117.51 118.59 1jts h ILE 41 Ca 0.01 -0.24 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 1jts h ILE 41 Cb 0.61 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1jts h ILE 41 CO 0.02 0.13 -0.23 -0.78 0.00 0.00 0.00 178.15 177.28 1jts h ASP 42 N 0.69 0.60 -0.60 1.72 3.58 -1.34 -2.01 116.42 119.06 1jts h ASP 42 Ca 0.45 -0.48 0.03 0.00 0.42 0.00 0.00 57.03 57.46 1jts h ASP 42 Cb 0.58 -0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.42 1jts h ASP 42 CO -0.33 0.96 0.40 0.25 -2.88 0.00 0.00 179.24 177.63 1jts h LEU 43 N 0.26 0.60 -0.10 2.28 5.85 -0.01 0.06 115.31 124.26 1jts h LEU 43 Ca 0.04 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1jts h LEU 43 Cb 0.79 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 1jts h LEU 43 CO 0.06 0.42 -0.08 0.77 -0.34 0.00 0.00 178.44 179.26 1jts h SER 44 N 0.70 0.24 -0.85 1.25 4.64 -0.64 -0.83 113.55 118.06 1jts h SER 44 Ca 0.24 -0.46 0.11 0.00 -0.47 0.00 0.00 61.79 61.20 1jts h SER 44 Cb 0.08 -0.07 -0.08 0.00 -0.31 0.00 0.00 62.40 62.03 1jts h SER 44 CO -0.06 0.65 0.49 -0.07 -0.87 0.00 0.00 176.83 176.97 1jts h LEU 45 N -0.16 0.69 -0.41 5.97 3.38 -0.70 -1.39 115.31 122.68 1jts h LEU 45 Ca 0.02 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jts h LEU 45 Cb 0.58 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1jts h LEU 45 CO 0.02 0.38 0.16 0.40 0.09 0.00 0.00 178.44 179.49 1jts h ILE 46 N 0.79 1.20 -0.88 1.22 2.04 -0.86 -1.99 117.51 119.03 1jts h ILE 46 Ca 0.42 -0.62 0.09 0.00 1.00 0.00 0.00 64.86 65.75 1jts h ILE 46 Cb 0.42 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1jts h ILE 46 CO -0.27 0.23 0.52 0.74 0.00 0.00 0.00 178.15 179.37 1jts h THR 47 N 0.53 0.94 -0.45 -0.27 2.02 -0.08 0.32 112.91 115.91 1jts h THR 47 Ca 0.14 -0.30 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 1jts h THR 47 Cb 0.20 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 1jts h THR 47 CO -0.01 0.16 -0.20 0.11 0.37 0.00 0.00 175.52 175.95 1jts h LYS 48 N 0.88 0.90 0.14 6.66 1.79 -1.12 0.22 116.57 126.05 1jts h LYS 48 Ca 0.42 -0.36 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1jts h LYS 48 Cb 0.35 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1jts h LYS 48 CO -0.23 1.02 -0.17 0.37 -1.08 0.00 0.00 179.45 179.35 1jts h GLN 49 N 0.79 -0.34 0.17 3.15 5.75 -0.34 0.83 115.11 125.11 1jts h GLN 49 Ca 0.11 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1jts h GLN 49 Cb 0.74 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.37 1jts h GLN 49 CO 0.06 -0.23 -0.08 0.00 -2.65 0.00 0.00 178.83 175.93 1jts h ALA 50 N 0.46 -0.23 -0.71 3.38 0.00 -0.90 -2.71 119.26 118.55 1jts h ALA 50 Ca 0.01 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.02 1jts h ALA 50 Cb 0.35 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 18.12 1jts h ALA 50 CO -0.07 -0.62 0.14 1.25 0.00 0.00 0.00 179.25 179.95 1jts h HIS 51 N -0.24 0.21 -0.35 0.00 -0.00 -0.67 -2.53 115.15 111.58 1jts h HIS 51 Ca -0.02 0.04 -0.16 0.00 -0.00 0.00 0.00 60.37 60.23 1jts h HIS 51 Cb 0.18 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1jts h HIS 51 CO -0.06 -0.09 -0.43 -1.49 -0.00 0.00 0.00 177.93 175.85 1jts h TRP 52 N 0.24 1.07 -0.54 5.26 6.55 -0.70 -3.34 115.95 124.50 1jts h TRP 52 Ca 0.39 -0.34 0.00 0.00 0.95 0.00 0.00 58.89 59.90 1jts h TRP 52 Cb 0.66 -0.22 0.00 0.00 -0.86 0.00 0.00 29.16 28.74 1jts h TRP 52 CO -0.28 1.15 0.00 0.09 -1.05 0.00 0.00 178.44 178.35 1jts n ASN 53 N -4.04 5.36 -4.92 -3.49 3.02 -0.99 -4.98 115.26 105.22 1jts n ASN 53 Ca -0.03 -2.89 -0.26 0.00 -0.03 0.00 0.00 54.58 51.37 1jts n ASN 53 Cb 0.57 -0.65 -0.02 0.00 -0.61 0.00 0.00 39.78 39.07 1jts n ASN 53 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jts s MET 54 N -2.67 3.55 0.02 3.52 0.23 -0.99 -4.51 119.30 118.46 1jts s MET 54 Ca 0.52 -0.06 -0.22 0.00 -1.03 0.00 0.00 55.69 54.91 1jts s MET 54 Cb 0.40 -2.57 0.05 0.00 -1.53 0.00 0.00 34.83 31.18 1jts s MET 54 CO 0.16 0.06 0.49 1.03 -2.03 0.00 0.00 175.02 174.73 1jts s ARG 55 N -4.20 0.96 0.00 3.16 0.52 -1.13 -4.97 118.95 113.29 1jts s ARG 55 Ca 0.44 -0.18 0.00 0.00 -0.52 0.00 0.00 55.73 55.46 1jts s ARG 55 Cb -0.10 0.44 0.00 0.00 0.52 0.00 0.00 34.95 35.80 1jts s ARG 55 CO 0.37 -0.32 0.00 0.41 0.02 0.00 0.00 175.30 175.77 1jts n GLY 56 N 0.64 0.43 3.77 -3.53 0.00 -1.26 -1.46 105.19 103.77 1jts n GLY 56 Ca -0.19 -2.25 -0.41 0.00 0.00 0.00 0.00 46.02 43.17 1jts n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jts s ALA 57 N -1.88 3.60 -1.52 4.61 0.00 -1.26 -2.53 121.76 122.78 1jts s ALA 57 Ca 0.00 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 1jts s ALA 57 Cb 0.00 -3.60 0.01 0.00 0.00 0.00 0.00 23.12 19.53 1jts s ALA 57 CO 0.00 -0.98 0.37 -1.71 0.00 0.00 0.00 175.76 173.44 1jts n ASN 58 N 0.89 -5.49 0.34 0.00 5.15 -1.26 -4.80 115.26 110.09 1jts n ASN 58 Ca 0.02 -0.18 -0.13 0.00 -0.60 0.00 0.00 54.58 53.69 1jts n ASN 58 Cb 0.39 -4.50 -0.06 0.00 -0.53 0.00 0.00 39.78 35.08 1jts n ASN 58 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 1jts h PHE 59 N -0.83 -0.80 -0.33 1.20 3.04 -1.86 -2.97 116.94 114.40 1jts h PHE 59 Ca -0.48 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.52 1jts h PHE 59 Cb 1.34 0.26 -0.08 0.00 2.56 0.00 0.00 35.95 40.03 1jts h PHE 59 CO 0.58 -0.49 -0.26 0.97 -2.02 0.00 0.00 178.31 177.09 1jts h ILE 60 N -0.88 0.34 -0.53 1.41 6.09 -1.92 0.43 117.51 122.46 1jts h ILE 60 Ca -0.09 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.46 1jts h ILE 60 Cb 0.66 0.34 -0.05 0.00 0.47 0.00 0.00 36.82 38.24 1jts h ILE 60 CO 0.14 0.00 0.25 0.00 -3.07 0.00 0.00 178.15 175.48 1jts h ALA 61 N 0.87 0.68 -0.38 0.18 0.00 -1.99 -0.53 119.26 118.10 1jts h ALA 61 Ca 0.16 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1jts h ALA 61 Cb 0.48 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1jts h ALA 61 CO -0.46 -0.11 -0.21 0.28 0.00 0.00 0.00 179.25 178.75 1jts h VAL 62 N 0.49 1.28 -0.49 0.00 2.07 -1.25 0.67 116.25 119.02 1jts h VAL 62 Ca 0.24 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.46 1jts h VAL 62 Cb 0.18 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1jts h VAL 62 CO -0.19 0.45 0.21 -0.74 0.02 0.00 0.00 177.57 177.32 1jts h HIS 63 N 0.61 0.38 -0.14 1.57 6.17 0.34 0.76 115.15 124.84 1jts h HIS 63 Ca 0.08 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.02 1jts h HIS 63 Cb 0.77 -0.10 0.01 0.00 2.52 0.00 0.00 27.41 30.61 1jts h HIS 63 CO 0.06 0.16 -0.54 0.93 0.71 0.00 0.00 177.93 179.25 1jts h GLU 64 N 0.41 0.61 -0.47 5.26 5.08 -1.02 -3.09 114.58 121.36 1jts h GLU 64 Ca 0.23 -0.47 0.09 0.00 -1.00 0.00 0.00 59.36 58.21 1jts h GLU 64 Cb 0.20 0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.46 1jts h GLU 64 CO -0.20 1.09 0.03 1.98 -1.00 0.00 0.00 179.01 180.91 1jts h MET 65 N 0.26 0.14 -0.75 2.33 4.05 -0.42 -1.11 114.93 119.44 1jts h MET 65 Ca -0.03 -0.01 0.08 0.00 -0.28 0.00 0.00 59.70 59.47 1jts h MET 65 Cb 1.17 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.87 1jts h MET 65 CO 0.11 0.09 0.41 -0.07 0.23 0.00 0.00 176.91 177.68 1jts h LEU 66 N 0.14 0.58 -0.94 3.39 4.07 -0.88 -1.59 115.31 120.08 1jts h LEU 66 Ca 0.24 0.05 0.07 0.00 0.08 0.00 0.00 57.88 58.31 1jts h LEU 66 Cb 0.34 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.95 1jts h LEU 66 CO -0.37 0.35 0.60 -0.78 -1.08 0.00 0.00 178.44 177.15 1jts h ASP 67 N 0.71 0.94 -0.31 -0.43 1.82 -1.13 -1.49 116.42 116.54 1jts h ASP 67 Ca 0.35 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 57.05 1jts h ASP 67 Cb 0.31 -0.18 -0.04 0.00 0.68 0.00 0.00 39.33 40.10 1jts h ASP 67 CO -0.23 0.59 0.06 1.23 -1.61 0.00 0.00 179.24 179.28 1jts h GLY 68 N 1.07 0.35 0.56 -0.78 0.00 -0.88 -2.30 103.07 101.09 1jts h GLY 68 Ca 0.41 -0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.77 1jts h GLY 68 CO -0.18 -0.01 0.04 0.74 0.00 0.00 0.00 176.54 177.13 1jts h PHE 69 N 0.18 0.06 -0.67 5.60 0.04 -1.04 -2.14 116.94 118.98 1jts h PHE 69 Ca 0.14 0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.08 1jts h PHE 69 Cb 0.15 0.02 -0.11 0.00 2.20 0.00 0.00 35.95 38.21 1jts h PHE 69 CO -0.17 -0.01 0.07 -0.09 -0.60 0.00 0.00 178.31 177.51 1jts h ARG 70 N 0.15 0.17 -0.74 1.51 2.43 -0.79 0.27 114.38 117.38 1jts h ARG 70 Ca 0.16 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jts h ARG 70 Cb 0.19 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.67 1jts h ARG 70 CO -0.23 0.11 0.41 1.15 -1.51 0.00 0.00 179.97 179.90 1jts h THR 71 N 0.17 1.22 -0.41 0.20 2.02 -1.00 -1.11 112.91 114.01 1jts h THR 71 Ca 0.36 -0.55 -0.12 0.00 0.77 0.00 0.00 66.41 66.88 1jts h THR 71 Cb 0.60 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jts h THR 71 CO -0.53 0.24 -0.20 0.00 0.37 0.00 0.00 175.52 175.41 1jts h ALA 72 N 1.21 0.57 0.39 6.16 0.00 -0.65 -2.48 119.26 124.46 1jts h ALA 72 Ca 0.26 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jts h ALA 72 Cb 0.03 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1jts h ALA 72 CO -0.04 0.53 -0.49 -0.07 0.00 0.00 0.00 179.25 179.18 1jts h LEU 73 N 0.67 -1.38 -0.88 0.00 4.07 -0.21 -1.37 115.31 116.21 1jts h LEU 73 Ca 0.09 0.12 0.20 0.00 0.08 0.00 0.00 57.88 58.37 1jts h LEU 73 Cb 0.76 0.47 -0.12 0.00 1.08 0.00 0.00 40.66 42.86 1jts h LEU 73 CO 0.06 -0.62 0.39 0.40 -1.08 0.00 0.00 178.44 177.59 1jts h ILE 74 N -0.92 0.54 0.78 1.22 2.04 -1.18 0.14 117.51 120.12 1jts h ILE 74 Ca -0.04 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.63 1jts h ILE 74 Cb 0.83 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1jts h ILE 74 CO -0.12 0.08 -0.43 0.00 0.00 0.00 0.00 178.15 177.68 1jts h HIS 76 N -1.11 -0.41 -0.47 0.00 3.86 -0.72 0.03 115.15 116.33 1jts h HIS 76 Ca -0.11 0.04 0.08 0.00 -1.16 0.00 0.00 60.37 59.22 1jts h HIS 76 Cb 0.87 0.23 -0.10 0.00 1.06 0.00 0.00 27.41 29.48 1jts h HIS 76 CO -0.03 -0.24 -0.42 1.25 0.86 0.00 0.00 177.93 179.35 1jts h LEU 77 N -0.12 -1.42 -1.23 2.43 6.46 -0.60 0.07 115.31 120.90 1jts h LEU 77 Ca 0.16 0.23 0.02 0.00 -0.12 0.00 0.00 57.88 58.17 1jts h LEU 77 Cb 0.37 0.63 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1jts h LEU 77 CO -0.39 -0.35 0.52 0.00 -0.62 0.00 0.00 178.44 177.60 1jts h ALA 78 N 0.54 1.47 -0.71 1.25 0.00 -0.05 -0.95 119.26 120.80 1jts h ALA 78 Ca 0.16 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1jts h ALA 78 Cb 0.57 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1jts h ALA 78 CO -0.62 0.48 0.37 1.15 0.00 0.00 0.00 179.25 180.63 1jts h THR 79 N 1.04 1.22 -0.01 0.00 2.02 0.79 -0.13 112.91 117.83 1jts h THR 79 Ca 0.30 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1jts h THR 79 Cb -0.06 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1jts h THR 79 CO -0.07 0.25 -0.03 0.24 0.37 0.00 0.00 175.52 176.28 1jts h MET 80 N 1.00 0.04 -0.99 6.66 2.86 -0.19 -1.84 114.93 122.49 1jts h MET 80 Ca 0.25 -0.03 0.16 0.00 -2.06 0.00 0.00 59.70 58.03 1jts h MET 80 Cb 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.63 1jts h MET 80 CO -0.04 0.59 0.60 0.00 1.06 0.00 0.00 176.91 179.12 1jts h ALA 81 N 0.45 1.58 -0.45 6.32 0.00 -0.93 -0.19 119.26 126.03 1jts h ALA 81 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1jts h ALA 81 Cb 0.59 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1jts h ALA 81 CO 0.01 0.03 -0.25 0.93 0.00 0.00 0.00 179.25 179.97 1jts h GLU 82 N 0.82 0.95 -0.51 0.00 5.08 -0.92 -2.38 114.58 117.61 1jts h GLU 82 Ca 0.54 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 1jts h GLU 82 Cb 0.75 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 1jts h GLU 82 CO -0.35 1.08 0.30 -0.09 -1.00 0.00 0.00 179.01 178.96 1jts h ARG 83 N 0.81 0.69 0.22 2.33 9.65 -0.21 -0.42 114.38 127.45 1jts h ARG 83 Ca 0.10 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.92 1jts h ARG 83 Cb 0.82 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.23 1jts h ARG 83 CO 0.07 0.50 -0.26 0.00 2.80 0.00 0.00 179.97 183.08 1jts h ALA 84 N 1.15 -0.51 -0.23 2.80 0.00 -1.10 -2.29 119.26 119.08 1jts h ALA 84 Ca 0.18 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.04 1jts h ALA 84 Cb -0.01 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jts h ALA 84 CO -0.03 -0.82 0.16 0.28 0.00 0.00 0.00 179.25 178.83 1jts h VAL 85 N -0.53 1.02 0.00 0.00 2.07 -1.10 -0.80 116.25 116.91 1jts h VAL 85 Ca 0.00 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.37 1jts h VAL 85 Cb 0.50 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jts h VAL 85 CO -0.08 0.05 -0.33 1.56 0.02 0.00 0.00 177.57 178.78 1jts h GLN 86 N 0.25 0.00 -0.22 1.57 4.20 -0.57 -2.07 115.11 118.27 1jts h GLN 86 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 1jts h GLN 86 Cb 0.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.84 1jts h GLN 86 CO -0.02 0.33 0.00 1.28 -0.67 0.00 0.00 178.83 179.76 1jts n LEU 87 N -3.74 1.54 0.00 1.46 4.77 -0.37 -4.88 117.00 115.78 1jts n LEU 87 Ca -0.01 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.26 1jts n LEU 87 Cb 0.43 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 1jts n LEU 87 CO 0.36 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1jts n GLY 88 N 1.04 0.59 0.00 -0.72 0.00 -0.78 -4.81 105.19 100.52 1jts n GLY 88 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1jts n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jts n GLY 89 N -2.00 -0.71 2.92 -0.02 0.00 -0.81 -1.69 105.19 102.88 1jts n GLY 89 Ca 0.00 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 44.05 1jts n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jts s VAL 90 N -0.50 1.03 0.09 1.61 1.01 -1.26 -4.41 120.40 117.97 1jts s VAL 90 Ca 0.00 -0.31 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 1jts s VAL 90 Cb 0.00 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.28 1jts s VAL 90 CO 0.00 0.36 1.27 0.00 0.00 0.00 0.00 175.10 176.74 1jts s ALA 91 N 1.55 3.47 -0.30 5.51 0.00 -1.26 -4.95 121.76 125.78 1jts s ALA 91 Ca 0.02 0.96 -0.05 0.00 0.00 0.00 0.00 51.96 52.89 1jts s ALA 91 Cb -0.13 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1jts s ALA 91 CO -0.06 -0.50 0.05 -0.51 0.00 0.00 0.00 175.76 174.73 1jts s LEU 92 N 1.00 3.86 0.00 0.00 1.43 -1.26 -4.93 118.68 118.77 1jts s LEU 92 Ca 0.61 -0.96 0.11 0.00 -1.03 0.00 0.00 54.13 52.86 1jts s LEU 92 Cb -0.33 -1.81 0.18 0.00 0.03 0.00 0.00 46.19 44.27 1jts s LEU 92 CO 0.30 -0.23 1.02 0.61 0.23 0.00 0.00 176.35 178.28 1jts n GLY 93 N 4.77 0.76 3.87 -3.19 0.00 -1.26 -4.46 105.19 105.68 1jts n GLY 93 Ca -0.14 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1jts n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jts s THR 94 N 0.00 4.73 0.15 2.61 -4.23 -1.26 -4.90 115.64 112.74 1jts s THR 94 Ca 0.14 0.79 -0.17 0.00 -1.18 0.00 0.00 61.69 61.27 1jts s THR 94 Cb 0.16 -3.84 0.05 0.00 1.34 0.00 0.00 72.50 70.21 1jts s THR 94 CO -0.07 -1.00 1.69 0.74 -0.54 0.00 0.00 174.62 175.44 1jts h THR 95 N 0.03 0.70 -0.44 3.99 2.02 -1.99 -1.23 112.91 116.00 1jts h THR 95 Ca -0.45 -0.02 0.06 0.00 0.77 0.00 0.00 66.41 66.78 1jts h THR 95 Cb 1.19 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 68.20 1jts h THR 95 CO 0.62 0.01 0.12 0.06 0.37 0.00 0.00 175.52 176.70 1jts h GLN 96 N 0.05 0.26 -0.66 6.66 -0.00 -1.98 0.59 115.11 120.03 1jts h GLN 96 Ca 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.79 1jts h GLN 96 Cb 0.24 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.48 27.63 1jts h GLN 96 CO -0.31 0.17 0.36 0.28 -0.00 0.00 0.00 178.83 179.33 1jts h VAL 97 N 0.27 1.21 -0.10 1.86 2.07 -1.81 -1.23 116.25 118.52 1jts h VAL 97 Ca 0.21 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 1jts h VAL 97 Cb 0.24 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1jts h VAL 97 CO -0.25 0.23 0.02 0.40 0.02 0.00 0.00 177.57 178.00 1jts h ILE 98 N 0.90 1.19 0.02 4.57 1.08 -0.54 -2.15 117.51 122.59 1jts h ILE 98 Ca 0.23 -0.59 0.00 0.00 -0.39 0.00 0.00 64.86 64.12 1jts h ILE 98 Cb 0.05 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 1jts h ILE 98 CO -0.04 0.17 -0.13 -1.13 -0.69 0.00 0.00 178.15 176.33 1jts h ASN 99 N -0.05 -0.40 0.00 1.72 -0.73 0.45 0.39 115.58 116.96 1jts h ASN 99 Ca 0.03 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.24 1jts h ASN 99 Cb 0.24 0.15 0.00 0.00 0.27 0.00 0.00 38.32 38.98 1jts h ASN 99 CO 0.00 -0.14 0.00 -1.54 -0.37 0.00 0.00 177.43 175.38 1jts n SER 100 N -3.21 0.00 -0.02 1.15 3.41 -0.49 -3.56 113.62 110.90 1jts n SER 100 Ca -0.02 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1jts n SER 100 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1jts n SER 100 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1jts n LYS 101 N -0.88 0.00 -2.61 4.33 5.02 -0.81 -5.07 118.16 118.15 1jts n LYS 101 Ca 0.10 -0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 55.46 1jts n LYS 101 Cb 0.05 -0.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.53 1jts n LYS 101 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1jts s THR 102 N 0.00 4.45 -1.43 -0.18 -1.32 0.13 -4.90 115.64 112.39 1jts s THR 102 Ca 0.00 1.84 0.07 0.00 -1.21 0.00 0.00 61.69 62.39 1jts s THR 102 Cb 0.00 -4.18 0.28 0.00 -1.51 0.00 0.00 72.50 67.09 1jts s THR 102 CO 0.00 0.19 1.11 -0.81 -2.21 0.00 0.00 174.62 172.89 1jts n PRO 103 N 3.52 2.02 -4.45 7.08 -0.04 -1.26 -4.87 135.00 137.00 1jts n PRO 103 Ca 0.06 -1.09 -0.34 0.00 -0.04 0.00 0.00 63.50 62.08 1jts n PRO 103 Cb 0.49 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.36 1jts n PRO 103 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jts s LEU 104 N -1.02 3.29 0.64 1.53 1.43 -1.26 -5.06 118.68 118.23 1jts s LEU 104 Ca 0.20 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 1jts s LEU 104 Cb 0.12 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 1jts s LEU 104 CO 0.10 0.25 1.06 1.17 0.23 0.00 0.00 176.35 179.16 1jts n LYS 105 N 2.97 0.88 -1.88 1.70 4.81 -1.26 -4.89 118.16 120.50 1jts n LYS 105 Ca -0.18 0.35 -0.40 0.00 -0.87 0.00 0.00 58.31 57.21 1jts n LYS 105 Cb 0.53 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1jts n LYS 105 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jts s SER 106 N -1.37 6.17 0.17 3.14 0.15 -1.26 -4.95 113.70 115.76 1jts s SER 106 Ca 0.78 2.89 -0.28 0.00 0.70 0.00 0.00 55.95 60.04 1jts s SER 106 Cb -0.39 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.19 1jts s SER 106 CO 0.45 -0.97 0.87 -0.47 1.20 0.00 0.00 173.24 174.31 1jts s TYR 107 N -1.18 3.90 -0.22 3.44 6.14 -1.26 -4.98 117.35 123.19 1jts s TYR 107 Ca 0.57 1.75 -0.31 0.00 0.64 0.00 0.00 57.07 59.72 1jts s TYR 107 Cb -0.43 -2.90 -0.08 0.00 0.42 0.00 0.00 41.96 38.97 1jts s TYR 107 CO 0.57 0.42 2.15 -2.30 0.64 0.00 0.00 175.55 177.02 1jts n PRO 108 N 1.89 1.81 -0.23 4.97 -0.02 -1.26 -4.86 135.00 137.30 1jts n PRO 108 Ca -0.03 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 62.02 1jts n PRO 108 Cb 0.48 -2.92 0.13 0.00 -0.02 0.00 0.00 33.50 31.16 1jts n PRO 108 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jts n LEU 109 N 10.18 2.08 -0.01 2.45 4.32 -1.26 -4.08 117.00 130.68 1jts n LEU 109 Ca 0.31 -1.05 -0.01 0.00 -0.02 0.00 0.00 56.01 55.25 1jts n LEU 109 Cb 0.36 -0.40 -0.01 0.00 -1.62 0.00 0.00 43.42 41.75 1jts n LEU 109 CO 0.70 0.36 -0.54 -0.90 -1.22 0.00 0.00 177.39 175.79 1jts n ASP 110 N 0.22 4.24 -4.66 -1.43 5.68 -1.26 -5.07 116.55 114.26 1jts n ASP 110 Ca 0.09 -0.00 -0.36 0.00 -0.50 0.00 0.00 54.79 54.01 1jts n ASP 110 Cb 0.42 0.20 0.08 0.00 -1.14 0.00 0.00 41.12 40.68 1jts n ASP 110 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1jts n ILE 111 N -2.34 3.62 0.11 2.12 -5.35 -1.26 -4.97 119.36 111.30 1jts n ILE 111 Ca -0.02 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 62.04 1jts n ILE 111 Cb 0.53 -1.25 0.00 0.00 -1.74 0.00 0.00 39.64 37.17 1jts n ILE 111 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1jts n HIS 112 N -2.29 -1.70 -0.80 4.28 8.25 -1.26 -4.87 115.22 116.83 1jts n HIS 112 Ca 0.14 0.30 -0.26 0.00 -0.26 0.00 0.00 57.72 57.64 1jts n HIS 112 Cb 0.49 0.39 -0.01 0.00 1.12 0.00 0.00 29.99 31.98 1jts n HIS 112 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1jts n ASN 113 N -3.48 -1.41 0.06 0.41 2.85 -1.26 -2.83 115.26 109.61 1jts n ASN 113 Ca 0.00 0.55 -0.13 0.00 -0.11 0.00 0.00 54.58 54.89 1jts n ASN 113 Cb 0.00 -0.54 -0.08 0.00 1.24 0.00 0.00 39.78 40.40 1jts n ASN 113 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1jts h VAL 114 N 0.33 1.04 -0.82 3.44 2.07 -1.57 -2.79 116.25 117.95 1jts h VAL 114 Ca -0.20 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1jts h VAL 114 Cb 0.87 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1jts h VAL 114 CO 0.30 0.09 0.53 1.56 0.02 0.00 0.00 177.57 180.08 1jts h GLN 115 N -0.26 0.82 -0.06 1.57 1.08 -1.88 0.70 115.11 117.07 1jts h GLN 115 Ca -0.01 -0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1jts h GLN 115 Cb 0.23 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 1jts h GLN 115 CO 0.02 0.54 -0.13 -0.44 -0.95 0.00 0.00 178.83 177.87 1jts h ASP 116 N 0.84 -0.39 -0.65 1.46 3.45 -1.84 -0.42 116.42 118.88 1jts h ASP 116 Ca 0.36 0.07 -0.03 0.00 0.43 0.00 0.00 57.03 57.87 1jts h ASP 116 Cb 0.32 0.18 -0.03 0.00 -0.56 0.00 0.00 39.33 39.24 1jts h ASP 116 CO -0.14 -0.18 0.31 0.45 -1.57 0.00 0.00 179.24 178.11 1jts h HIS 117 N -0.19 0.94 -0.38 4.55 3.86 -1.06 -1.12 115.15 121.75 1jts h HIS 117 Ca 0.07 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.28 1jts h HIS 117 Cb 0.28 -0.29 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1jts h HIS 117 CO -0.22 0.71 0.08 -0.07 0.86 0.00 0.00 177.93 179.30 1jts h LEU 118 N 0.90 0.03 -0.24 2.43 4.07 -0.40 0.29 115.31 122.39 1jts h LEU 118 Ca 0.22 0.06 -0.00 0.00 0.08 0.00 0.00 57.88 58.24 1jts h LEU 118 Cb 0.13 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1jts h LEU 118 CO -0.03 0.05 0.14 0.11 -1.08 0.00 0.00 178.44 177.64 1jts h LYS 119 N 0.21 0.32 -0.43 1.13 1.57 -0.76 0.55 116.57 119.16 1jts h LYS 119 Ca 0.18 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1jts h LYS 119 Cb 0.20 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1jts h LYS 119 CO -0.23 0.25 0.27 0.93 -0.57 0.00 0.00 179.45 180.10 1jts h GLU 120 N 0.30 0.58 -0.14 3.15 4.39 -0.70 -2.32 114.58 119.83 1jts h GLU 120 Ca 0.09 -0.05 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 1jts h GLU 120 Cb 0.01 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 1jts h GLU 120 CO -0.02 0.42 0.04 -0.07 -1.16 0.00 0.00 179.01 178.22 1jts h LEU 121 N 0.57 0.22 -0.83 1.33 3.38 -0.19 -2.79 115.31 117.00 1jts h LEU 121 Ca 0.16 -0.22 0.20 0.00 0.09 0.00 0.00 57.88 58.10 1jts h LEU 121 Cb -0.02 -0.06 -0.13 0.00 0.09 0.00 0.00 40.66 40.55 1jts h LEU 121 CO -0.03 0.38 0.24 0.00 0.09 0.00 0.00 178.44 179.13 1jts h ALA 122 N 0.84 1.18 0.60 1.53 0.00 0.32 0.23 119.26 123.96 1jts h ALA 122 Ca 0.05 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1jts h ALA 122 Cb 0.25 0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jts h ALA 122 CO -0.00 -0.38 -0.29 -0.44 0.00 0.00 0.00 179.25 178.14 1jts h ASP 123 N 0.28 -0.68 -0.98 0.00 3.45 -1.25 -0.07 116.42 117.16 1jts h ASP 123 Ca 0.50 -0.03 0.06 0.00 0.43 0.00 0.00 57.03 57.99 1jts h ASP 123 Cb 0.93 0.18 -0.06 0.00 -0.56 0.00 0.00 39.33 39.81 1jts h ASP 123 CO -0.57 -0.36 0.64 0.03 -1.57 0.00 0.00 179.24 177.41 1jts h ARG 124 N -1.00 1.14 -0.47 3.56 2.47 -1.11 -0.21 114.38 118.76 1jts h ARG 124 Ca -0.08 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.53 1jts h ARG 124 Cb 0.67 -0.26 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1jts h ARG 124 CO 0.13 0.75 0.13 1.88 0.56 0.00 0.00 179.97 183.42 1jts h TYR 125 N 1.17 0.78 -0.56 3.04 -1.99 -0.55 -2.21 116.97 116.65 1jts h TYR 125 Ca 0.42 -0.09 0.06 0.00 2.00 0.00 0.00 58.73 61.12 1jts h TYR 125 Cb 0.13 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.58 1jts h TYR 125 CO -0.01 0.70 0.27 0.00 -0.00 0.00 0.00 178.16 179.12 1jts h ALA 126 N 0.99 0.72 0.15 3.88 0.00 0.25 0.85 119.26 126.10 1jts h ALA 126 Ca 0.15 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.11 1jts h ALA 126 Cb 0.31 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jts h ALA 126 CO -0.00 -0.09 -0.30 0.82 0.00 0.00 0.00 179.25 179.68 1jts h ILE 127 N 0.51 0.36 -0.53 0.00 5.03 -0.78 0.33 117.51 122.43 1jts h ILE 127 Ca 0.25 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.95 1jts h ILE 127 Cb 0.20 0.36 -0.02 0.00 -3.03 0.00 0.00 36.82 34.33 1jts h ILE 127 CO -0.19 0.00 0.15 0.58 -0.68 0.00 0.00 178.15 178.00 1jts h VAL 128 N -0.54 1.24 0.25 1.67 2.07 -0.89 -1.14 116.25 118.92 1jts h VAL 128 Ca 0.02 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 1jts h VAL 128 Cb 0.55 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 31.09 1jts h VAL 128 CO -0.15 0.30 -0.13 0.00 0.02 0.00 0.00 177.57 177.61 1jts h ALA 129 N 1.02 -0.35 -0.65 1.67 0.00 0.94 -0.88 119.26 120.99 1jts h ALA 129 Ca 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jts h ALA 129 Cb 0.31 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1jts h ALA 129 CO -0.00 -0.70 0.29 -0.91 0.00 0.00 0.00 179.25 177.92 1jts h ASN 130 N -0.36 0.87 0.53 0.00 2.35 -0.92 -1.40 115.58 116.65 1jts h ASN 130 Ca -0.03 -0.15 -0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1jts h ASN 130 Cb 0.29 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 38.43 1jts h ASN 130 CO 0.04 0.78 -0.25 -0.78 -1.65 0.00 0.00 177.43 175.58 1jts h ASP 131 N 0.91 -0.60 -0.13 5.81 -0.00 -1.12 -2.68 116.42 118.62 1jts h ASP 131 Ca 0.22 -0.04 -0.00 0.00 -0.00 0.00 0.00 57.03 57.21 1jts h ASP 131 Cb 0.16 0.15 -0.01 0.00 -0.00 0.00 0.00 39.33 39.64 1jts h ASP 131 CO -0.02 -0.32 0.07 1.62 -0.00 0.00 0.00 179.24 180.59 1jts h VAL 132 N -0.86 1.06 -0.41 2.25 3.04 -1.15 -0.32 116.25 119.85 1jts h VAL 132 Ca -0.07 -0.15 -0.04 0.00 -1.01 0.00 0.00 66.70 65.42 1jts h VAL 132 Cb 0.60 0.87 -0.02 0.00 -2.01 0.00 0.00 31.29 30.73 1jts h VAL 132 CO 0.12 0.06 0.06 -0.09 -1.01 0.00 0.00 177.57 176.71 1jts h ARG 133 N 0.20 0.62 -0.03 4.17 2.43 -1.13 -2.71 114.38 117.93 1jts h ARG 133 Ca 0.05 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.05 1jts h ARG 133 Cb 0.02 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 1jts h ARG 133 CO -0.01 0.59 -0.18 0.87 -1.51 0.00 0.00 179.97 179.74 1jts h LYS 134 N 0.60 0.17 -1.13 0.20 1.57 -0.83 -3.20 116.57 113.96 1jts h LYS 134 Ca 0.13 -0.15 0.33 0.00 -1.87 0.00 0.00 60.65 59.09 1jts h LYS 134 Cb 0.28 0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 1jts h LYS 134 CO 0.00 0.81 0.90 0.00 -0.57 0.00 0.00 179.45 180.60 1jts h ALA 135 N 0.36 3.02 -0.73 3.86 0.00 -0.81 0.20 119.26 125.17 1jts h ALA 135 Ca -0.01 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1jts h ALA 135 Cb 0.85 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.67 1jts h ALA 135 CO 0.04 -1.49 0.42 0.82 0.00 0.00 0.00 179.25 179.04 1jts h ILE 136 N 0.00 0.97 -0.02 0.00 2.04 -1.49 -1.75 117.51 117.26 1jts h ILE 136 Ca 0.54 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 66.13 1jts h ILE 136 Cb 2.34 0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1jts h ILE 136 CO -0.01 0.14 -0.02 1.23 0.00 0.00 0.00 178.15 179.49 1jts h GLY 137 N 0.76 0.06 0.48 5.37 0.00 -0.78 -3.10 103.07 105.86 1jts h GLY 137 Ca 0.33 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.60 1jts h GLY 137 CO -0.19 0.05 0.00 -1.84 0.00 0.00 0.00 176.54 174.56 1jts n GLU 138 N -4.81 0.60 -3.23 4.80 0.28 -1.10 -4.61 120.64 112.59 1jts n GLU 138 Ca -0.08 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.50 1jts n GLU 138 Cb 0.27 -1.24 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 1jts n GLU 138 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jts s ALA 139 N -2.00 3.46 0.06 -1.84 0.00 -0.68 -4.94 121.76 115.83 1jts s ALA 139 Ca 0.14 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.09 1jts s ALA 139 Cb 0.06 -3.05 -0.24 0.00 0.00 0.00 0.00 23.12 19.89 1jts s ALA 139 CO 0.11 -1.29 1.06 0.87 0.00 0.00 0.00 175.76 176.51 1jts h LYS 140 N 8.51 0.11 -6.26 0.00 6.56 -1.88 -3.44 116.57 120.17 1jts h LYS 140 Ca -0.27 -0.18 -0.56 0.00 -1.06 0.00 0.00 60.65 58.57 1jts h LYS 140 Cb 1.12 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.81 1jts h LYS 140 CO 0.79 0.99 1.00 0.34 -2.06 0.00 0.00 179.45 180.51 1jts s ASP 141 N -6.76 6.69 0.17 0.86 3.68 -1.26 -4.92 116.67 115.12 1jts s ASP 141 Ca -0.03 1.60 -0.24 0.00 2.13 0.00 0.00 52.55 56.01 1jts s ASP 141 Cb 0.08 -2.54 0.05 0.00 -1.45 0.00 0.00 42.92 39.07 1jts s ASP 141 CO 0.84 -1.00 1.58 0.44 0.13 0.00 0.00 175.17 177.16 1jts h ASP 142 N 9.33 -1.25 -0.24 -0.34 3.32 -2.00 0.39 116.42 125.63 1jts h ASP 142 Ca -0.30 0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1jts h ASP 142 Cb 1.12 0.57 -0.06 0.00 0.22 0.00 0.00 39.33 41.19 1jts h ASP 142 CO 0.99 -0.34 -0.18 0.44 -1.72 0.00 0.00 179.24 178.44 1jts h ASP 143 N -0.26 -0.57 -0.35 6.45 3.45 -1.98 -0.64 116.42 122.52 1jts h ASP 143 Ca 0.17 0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.76 1jts h ASP 143 Cb 0.56 0.29 -0.02 0.00 -0.56 0.00 0.00 39.33 39.60 1jts h ASP 143 CO -0.59 -0.22 0.24 0.74 -1.57 0.00 0.00 179.24 177.84 1jts h THR 144 N -0.17 1.08 -0.38 0.35 2.02 -1.75 -0.61 112.91 113.46 1jts h THR 144 Ca 0.13 -0.16 -0.06 0.00 0.77 0.00 0.00 66.41 67.09 1jts h THR 144 Cb 0.37 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1jts h THR 144 CO -0.34 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.64 1jts h ALA 145 N 1.78 0.51 -0.20 6.16 0.00 0.45 -1.99 119.26 125.97 1jts h ALA 145 Ca 0.13 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jts h ALA 145 Cb -0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jts h ALA 145 CO -0.03 0.28 0.08 0.22 0.00 0.00 0.00 179.25 179.80 1jts h ASP 146 N 0.48 0.11 -0.84 0.00 1.82 -0.25 0.71 116.42 118.46 1jts h ASP 146 Ca 0.11 0.01 0.12 0.00 -0.39 0.00 0.00 57.03 56.88 1jts h ASP 146 Cb 0.46 -0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.39 1jts h ASP 146 CO 0.02 0.09 0.46 0.40 -1.61 0.00 0.00 179.24 178.60 1jts h ILE 147 N 0.18 0.83 -0.06 2.25 2.04 -1.00 -1.37 117.51 120.39 1jts h ILE 147 Ca 0.08 -0.25 -0.15 0.00 1.00 0.00 0.00 64.86 65.55 1jts h ILE 147 Cb 0.04 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1jts h ILE 147 CO -0.07 0.13 -0.62 -0.07 0.00 0.00 0.00 178.15 177.52 1jts h LEU 148 N 0.72 0.23 -0.43 1.44 3.38 -0.57 -2.43 115.31 117.66 1jts h LEU 148 Ca 0.43 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1jts h LEU 148 Cb 0.49 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1jts h LEU 148 CO -0.30 0.80 0.09 0.74 0.09 0.00 0.00 178.44 179.87 1jts h THR 149 N 0.15 1.24 -0.50 0.22 2.02 0.16 0.19 112.91 116.39 1jts h THR 149 Ca -0.01 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 1jts h THR 149 Cb 1.13 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 1jts h THR 149 CO 0.09 0.29 0.31 0.00 0.37 0.00 0.00 175.52 176.58 1jts h ALA 150 N 0.95 0.63 -0.24 6.16 0.00 -1.26 0.23 119.26 125.74 1jts h ALA 150 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jts h ALA 150 Cb 0.34 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jts h ALA 150 CO 0.00 0.11 0.06 0.00 0.00 0.00 0.00 179.25 179.43 1jts h ALA 151 N 1.15 0.31 -0.21 0.00 0.00 -1.21 -2.80 119.26 116.50 1jts h ALA 151 Ca 0.18 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jts h ALA 151 Cb -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jts h ALA 151 CO -0.03 -0.04 0.11 1.03 0.00 0.00 0.00 179.25 180.31 1jts h SER 152 N 0.21 0.17 -0.89 0.00 0.87 -0.30 -0.60 113.55 113.02 1jts h SER 152 Ca 0.08 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.87 1jts h SER 152 Cb 0.26 -0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.06 1jts h SER 152 CO -0.00 0.13 0.33 -0.09 -0.53 0.00 0.00 176.83 176.67 1jts h ARG 153 N 0.23 0.30 -0.03 2.24 2.43 -0.44 0.11 114.38 119.22 1jts h ARG 153 Ca 0.08 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1jts h ARG 153 Cb 0.01 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 1jts h ARG 153 CO -0.05 0.20 -0.16 -0.44 -1.51 0.00 0.00 179.97 178.01 1jts h ASP 154 N 0.31 0.19 -0.91 -3.80 3.45 -1.13 -2.89 116.42 111.63 1jts h ASP 154 Ca 0.56 -0.66 0.11 0.00 0.43 0.00 0.00 57.03 57.47 1jts h ASP 154 Cb 1.11 -0.06 -0.08 0.00 -0.56 0.00 0.00 39.33 39.74 1jts h ASP 154 CO -0.58 0.82 0.54 -0.07 -1.57 0.00 0.00 179.24 178.38 1jts h LEU 155 N -0.43 0.79 -0.62 1.55 -0.00 0.03 0.15 115.31 116.77 1jts h LEU 155 Ca -0.01 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 1jts h LEU 155 Cb 0.82 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.35 1jts h LEU 155 CO 0.03 0.43 0.16 0.44 -0.00 0.00 0.00 178.44 179.51 1jts h ASP 156 N 0.88 0.94 -0.43 -0.43 3.45 -0.87 -0.10 116.42 119.87 1jts h ASP 156 Ca 0.45 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 57.65 1jts h ASP 156 Cb 0.43 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1jts h ASP 156 CO -0.26 0.92 0.14 0.50 -1.57 0.00 0.00 179.24 178.97 1jts h LYS 157 N 0.91 0.66 -0.18 3.56 3.64 -0.94 -1.10 116.57 123.12 1jts h LYS 157 Ca 0.20 -0.14 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1jts h LYS 157 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1jts h LYS 157 CO 0.00 0.64 0.11 0.74 -2.27 0.00 0.00 179.45 178.67 1jts h PHE 158 N 0.55 0.23 -0.34 1.91 0.05 -0.54 0.23 116.94 119.03 1jts h PHE 158 Ca 0.14 0.00 0.06 0.00 3.82 0.00 0.00 57.97 61.99 1jts h PHE 158 Cb 0.25 -0.08 -0.06 0.00 2.00 0.00 0.00 35.95 38.07 1jts h PHE 158 CO 0.01 0.18 -0.03 1.25 -0.18 0.00 0.00 178.31 179.54 1jts h LEU 159 N 0.21 -0.20 -0.45 1.54 5.85 -0.85 0.28 115.31 121.70 1jts h LEU 159 Ca 0.06 0.09 0.08 0.00 0.84 0.00 0.00 57.88 58.95 1jts h LEU 159 Cb 0.01 0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.14 1jts h LEU 159 CO -0.01 -0.06 0.05 -0.25 -0.34 0.00 0.00 178.44 177.83 1jts h TRP 160 N 0.06 0.07 -0.32 1.25 7.01 -0.73 0.66 115.95 123.95 1jts h TRP 160 Ca 0.16 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.18 1jts h TRP 160 Cb 0.23 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.32 1jts h TRP 160 CO -0.26 -0.04 0.16 0.74 -2.79 0.00 0.00 178.44 176.25 1jts h PHE 161 N 0.17 0.45 0.18 2.65 -1.00 0.66 0.13 116.94 120.18 1jts h PHE 161 Ca 0.22 -0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.99 1jts h PHE 161 Cb 0.31 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 1jts h PHE 161 CO -0.25 0.38 -0.19 0.82 -1.61 0.00 0.00 178.31 177.46 1jts h ILE 162 N 0.39 0.58 -0.05 -0.55 2.04 0.05 -2.89 117.51 117.08 1jts h ILE 162 Ca 0.11 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.00 1jts h ILE 162 Cb 0.09 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 1jts h ILE 162 CO -0.02 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 177.69 1jts h GLU 163 N -0.41 -0.16 0.00 2.37 5.08 -0.70 -2.30 114.58 118.45 1jts h GLU 163 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jts h GLU 163 Cb 0.39 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1jts h GLU 163 CO -0.05 -0.11 0.13 0.77 -1.00 0.00 0.00 179.01 178.74 1jts h SER 164 N -0.17 0.00 0.49 1.42 0.02 -0.59 0.81 113.55 115.54 1jts h SER 164 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1jts h SER 164 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1jts h SER 164 CO -0.15 0.00 -0.88 0.59 -1.14 0.00 0.00 176.83 175.25 1jts n ASN 165 N -2.29 0.63 -4.66 3.07 3.02 -0.87 -4.81 115.26 109.35 1jts n ASN 165 Ca -0.01 -0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 1jts n ASN 165 Cb 0.16 0.62 -0.02 0.00 -0.61 0.00 0.00 39.78 39.93 1jts n ASN 165 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jts s ILE 166 N -3.15 4.54 -2.10 2.41 1.01 0.28 -5.01 121.20 119.18 1jts s ILE 166 Ca 0.05 1.86 0.31 0.00 0.00 0.00 0.00 60.65 62.87 1jts s ILE 166 Cb 0.15 -4.20 0.84 0.00 0.01 0.00 0.00 42.46 39.26 1jts s ILE 166 CO 0.78 -0.14 2.13 -1.84 0.00 0.00 0.00 174.94 175.87