#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 3.68 0.24 -1.96 2.01 -0.12 -5.03 118.68 117.50 1jts s LEU 15 Ca 0.00 -0.11 -0.30 0.00 0.01 0.00 0.00 54.13 53.73 1jts s LEU 15 Cb 0.00 -2.35 -0.09 0.00 0.01 0.00 0.00 46.19 43.76 1jts s LEU 15 CO 0.00 0.14 1.14 -0.47 1.01 0.00 0.00 176.35 178.17 1jts s TYR 16 N -1.49 3.51 -0.27 0.29 6.14 -1.26 -4.58 117.35 119.69 1jts s TYR 16 Ca 0.29 1.60 -0.24 0.00 0.64 0.00 0.00 57.07 59.35 1jts s TYR 16 Cb -0.11 -3.34 0.08 0.00 0.42 0.00 0.00 41.96 39.00 1jts s TYR 16 CO 0.21 -0.80 0.76 -0.08 0.64 0.00 0.00 175.55 176.28 1jts s THR 17 N -0.74 0.00 -1.66 4.34 -1.32 -1.26 -4.99 115.64 110.00 1jts s THR 17 Ca 0.48 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1jts s THR 17 Cb -0.32 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 69.85 1jts s THR 17 CO 0.40 0.00 1.05 0.54 -2.21 0.00 0.00 174.62 174.40 1jts n ARG 18 N 2.77 0.17 -1.79 7.08 1.74 -1.26 -4.59 116.66 120.79 1jts n ARG 18 Ca -0.14 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 1jts n ARG 18 Cb 0.55 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 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 -2.34 5.50 0.00 0.55 3.84 -1.26 -4.83 114.94 116.40 1jts s ASN 19 Ca 0.10 1.45 0.00 0.00 0.21 0.00 0.00 52.86 54.62 1jts s ASN 19 Cb 0.06 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.24 1jts s ASN 19 CO 0.11 -1.99 1.37 -0.90 -2.79 0.00 0.00 177.10 172.90 1jts n ASP 20 N 11.67 3.72 -4.79 -4.21 5.75 -1.26 -4.86 116.55 122.58 1jts n ASP 20 Ca 0.27 -1.97 -0.39 0.00 -0.01 0.00 0.00 54.79 52.70 1jts n ASP 20 Cb 0.47 -0.76 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 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 0.40 4.84 0.25 2.12 1.01 -1.26 -5.00 120.40 122.75 1jts s VAL 21 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1jts s VAL 21 Cb 0.00 -3.89 -0.14 0.00 0.00 0.00 0.00 36.38 32.35 1jts s VAL 21 CO 0.00 0.50 1.19 -1.54 0.00 0.00 0.00 175.10 175.25 1jts n SER 22 N 2.15 1.84 0.24 3.32 3.41 -1.26 -4.65 113.62 118.67 1jts n SER 22 Ca -0.09 1.16 0.16 0.00 -0.26 0.00 0.00 58.87 59.84 1jts n SER 22 Cb 0.51 -1.32 0.85 0.00 -0.26 0.00 0.00 64.21 63.99 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 3.06 0.00 0.07 4.04 5.19 -1.96 0.60 116.42 127.41 1jts h ASP 23 Ca -0.43 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 55.98 1jts h ASP 23 Cb 1.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1jts h ASP 23 CO 0.68 0.00 -0.03 -1.28 -3.12 0.00 0.00 179.24 175.48 1jts h SER 24 N 0.00 -0.08 -0.95 6.45 0.87 -2.00 -3.01 113.55 114.83 1jts h SER 24 Ca 0.00 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.64 1jts h SER 24 Cb 0.03 0.02 -0.07 0.00 -0.44 0.00 0.00 62.40 61.94 1jts h SER 24 CO 0.00 -0.04 0.60 -0.08 -0.53 0.00 0.00 176.83 176.78 1jts h GLU 25 N -0.13 1.01 0.14 2.24 4.57 -1.50 -2.20 114.58 118.71 1jts h GLU 25 Ca -0.01 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1jts h GLU 25 Cb 0.07 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.41 1jts h GLU 25 CO 0.02 0.67 -0.33 0.87 -1.18 0.00 0.00 179.01 179.05 1jts h LYS 26 N 1.04 -0.50 -0.93 1.92 1.57 0.03 0.28 116.57 119.98 1jts h LYS 26 Ca 0.43 0.03 0.11 0.00 -1.87 0.00 0.00 60.65 59.35 1jts h LYS 26 Cb 0.26 0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.61 1jts h LYS 26 CO -0.20 -0.34 0.57 0.87 -0.57 0.00 0.00 179.45 179.78 1jts h LYS 27 N -0.52 0.90 0.19 3.15 1.57 -1.41 0.65 116.57 121.10 1jts h LYS 27 Ca -0.01 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jts h LYS 27 Cb 0.50 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1jts h LYS 27 CO -0.15 0.60 -0.20 0.00 -0.57 0.00 0.00 179.45 179.13 1jts h ALA 28 N 1.50 -0.39 0.26 3.86 0.00 -0.82 -2.42 119.26 121.24 1jts h ALA 28 Ca 0.45 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1jts h ALA 28 Cb 0.41 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1jts h ALA 28 CO -0.25 -0.75 -0.12 1.15 0.00 0.00 0.00 179.25 179.28 1jts h THR 29 N -0.42 0.75 -1.07 0.00 2.02 0.26 -2.48 112.91 111.96 1jts h THR 29 Ca 0.00 -0.02 0.29 0.00 0.77 0.00 0.00 66.41 67.45 1jts h THR 29 Cb 0.40 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.49 1jts h THR 29 CO -0.06 0.00 0.71 0.58 0.37 0.00 0.00 175.52 177.13 1jts h VAL 30 N -0.35 0.48 -0.10 3.16 2.07 -0.82 0.27 116.25 120.96 1jts h VAL 30 Ca -0.04 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 67.18 1jts h VAL 30 Cb 0.27 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1jts h VAL 30 CO 0.06 0.05 -0.73 -0.33 0.02 0.00 0.00 177.57 176.64 1jts h GLU 31 N 0.29 0.68 -0.50 1.57 4.39 -1.11 -2.25 114.58 117.65 1jts h GLU 31 Ca 0.59 -0.59 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1jts h GLU 31 Cb 1.71 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 30.47 1jts h GLU 31 CO -0.23 1.20 0.26 1.25 -1.16 0.00 0.00 179.01 180.33 1jts h LEU 32 N 0.35 0.64 0.44 1.33 5.85 -0.15 -2.44 115.31 121.32 1jts h LEU 32 Ca -0.06 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 1jts h LEU 32 Cb 1.38 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1jts h LEU 32 CO 0.15 0.56 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.53 1jts h LEU 33 N 0.66 -0.50 -1.88 2.25 3.38 -0.94 -2.94 115.31 115.34 1jts h LEU 33 Ca 0.17 -0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.22 1jts h LEU 33 Cb 0.08 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1jts h LEU 33 CO -0.03 -0.15 0.59 0.78 0.09 0.00 0.00 178.44 179.73 1jts h ASN 34 N -0.90 0.00 0.53 -0.43 2.35 -1.40 0.29 115.58 116.02 1jts h ASN 34 Ca -0.06 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 1jts h ASN 34 Cb 0.57 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.94 1jts h ASN 34 CO 0.10 0.00 -0.25 -0.09 -1.65 0.00 0.00 177.43 175.54 1jts h ARG 35 N 0.00 -0.68 -0.48 0.81 2.43 -1.27 -2.39 114.38 112.81 1jts h ARG 35 Ca 0.29 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.53 1jts h ARG 35 Cb 1.47 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 31.14 1jts h ARG 35 CO -0.00 -0.38 0.27 1.96 -1.51 0.00 0.00 179.97 180.31 1jts h GLN 36 N -0.97 0.53 -0.30 0.20 1.08 -0.42 -2.14 115.11 113.10 1jts h GLN 36 Ca -0.07 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.16 1jts h GLN 36 Cb 0.62 -0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.85 1jts h GLN 36 CO 0.12 0.35 -0.27 0.28 -0.95 0.00 0.00 178.83 178.36 1jts h VAL 37 N 0.55 0.33 -0.42 -0.54 2.07 -0.82 0.53 116.25 117.95 1jts h VAL 37 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 1jts h VAL 37 Cb 0.04 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.08 1jts h VAL 37 CO -0.10 0.00 0.09 0.40 0.02 0.00 0.00 177.57 177.98 1jts h ILE 38 N -0.25 0.79 -0.65 4.57 2.04 -1.16 0.15 117.51 122.99 1jts h ILE 38 Ca 0.15 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.90 1jts h ILE 38 Cb 0.49 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1jts h ILE 38 CO -0.44 0.04 0.26 -0.61 0.00 0.00 0.00 178.15 177.40 1jts h GLN 39 N 0.23 0.98 0.08 2.37 4.15 -0.54 -2.25 115.11 120.12 1jts h GLN 39 Ca 0.21 -0.18 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 1jts h GLN 39 Cb 0.25 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.78 1jts h GLN 39 CO -0.26 0.82 -0.04 0.74 -1.93 0.00 0.00 178.83 178.16 1jts h PHE 40 N 0.92 -0.10 -0.78 3.99 -1.00 0.38 -1.28 116.94 119.07 1jts h PHE 40 Ca 0.22 -0.00 0.18 0.00 2.81 0.00 0.00 57.97 61.18 1jts h PHE 40 Cb 0.21 0.03 -0.12 0.00 3.61 0.00 0.00 35.95 39.68 1jts h PHE 40 CO 0.01 0.37 0.17 0.82 -1.61 0.00 0.00 178.31 178.08 1jts h ILE 41 N -0.63 0.44 -0.40 -0.55 2.04 -0.68 0.28 117.51 118.01 1jts h ILE 41 Ca -0.01 -0.08 -0.13 0.00 1.00 0.00 0.00 64.86 65.64 1jts h ILE 41 Cb 0.52 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1jts h ILE 41 CO 0.02 0.04 -0.25 -0.78 0.00 0.00 0.00 178.15 177.18 1jts h ASP 42 N 0.24 0.91 -0.44 1.72 3.58 -1.39 -1.77 116.42 119.27 1jts h ASP 42 Ca 0.45 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 57.45 1jts h ASP 42 Cb 0.82 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 1jts h ASP 42 CO -0.57 1.14 0.19 0.25 -2.88 0.00 0.00 179.24 177.36 1jts h LEU 43 N 0.68 0.64 -0.06 2.28 5.85 0.37 -0.45 115.31 124.63 1jts h LEU 43 Ca 0.08 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jts h LEU 43 Cb 0.82 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1jts h LEU 43 CO 0.07 0.59 -0.01 0.77 -0.34 0.00 0.00 178.44 179.52 1jts h SER 44 N 0.70 0.11 -0.81 1.25 4.64 -0.38 -0.90 113.55 118.17 1jts h SER 44 Ca 0.17 -0.35 0.12 0.00 -0.47 0.00 0.00 61.79 61.25 1jts h SER 44 Cb 0.16 -0.03 -0.08 0.00 -0.31 0.00 0.00 62.40 62.14 1jts h SER 44 CO -0.01 0.44 0.43 -0.07 -0.87 0.00 0.00 176.83 176.74 1jts h LEU 45 N -0.21 0.56 -0.55 5.97 3.38 -0.89 -1.35 115.31 122.22 1jts h LEU 45 Ca 0.02 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1jts h LEU 45 Cb 0.39 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1jts h LEU 45 CO 0.01 0.29 0.20 0.40 0.09 0.00 0.00 178.44 179.42 1jts h ILE 46 N 0.68 1.23 -0.77 1.22 2.04 -0.94 -2.24 117.51 118.72 1jts h ILE 46 Ca 0.41 -0.73 0.06 0.00 1.00 0.00 0.00 64.86 65.60 1jts h ILE 46 Cb 0.49 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 1jts h ILE 46 CO -0.30 0.28 0.46 0.74 0.00 0.00 0.00 178.15 179.33 1jts h THR 47 N 0.76 1.02 -0.45 -0.27 2.02 -0.05 -0.13 112.91 115.80 1jts h THR 47 Ca 0.18 -0.29 -0.10 0.00 0.77 0.00 0.00 66.41 66.97 1jts h THR 47 Cb 0.23 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.72 1jts h THR 47 CO -0.01 0.16 -0.13 0.11 0.37 0.00 0.00 175.52 176.01 1jts h LYS 48 N 0.85 0.84 0.19 6.66 1.79 -1.23 0.73 116.57 126.40 1jts h LYS 48 Ca 0.34 -0.30 -0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1jts h LYS 48 Cb 0.16 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1jts h LYS 48 CO -0.17 0.92 -0.12 0.37 -1.08 0.00 0.00 179.45 179.37 1jts h GLN 49 N 0.75 -0.30 -0.06 3.15 5.75 -0.62 0.13 115.11 123.91 1jts h GLN 49 Ca 0.12 0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.64 1jts h GLN 49 Cb 0.64 0.07 -0.00 0.00 1.07 0.00 0.00 27.48 29.25 1jts h GLN 49 CO 0.04 -0.20 0.03 0.00 -2.65 0.00 0.00 178.83 176.06 1jts h ALA 50 N 0.49 0.08 -0.56 3.38 0.00 -0.96 -2.67 119.26 119.02 1jts h ALA 50 Ca -0.02 -0.06 0.11 0.00 0.00 0.00 0.00 54.91 54.95 1jts h ALA 50 Cb 0.26 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1jts h ALA 50 CO 0.01 -0.37 -0.23 1.25 0.00 0.00 0.00 179.25 179.92 1jts h HIS 51 N -0.00 -0.58 -0.44 0.00 -0.00 -0.63 -2.67 115.15 110.82 1jts h HIS 51 Ca 0.02 0.06 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1jts h HIS 51 Cb 0.10 0.34 -0.02 0.00 -0.00 0.00 0.00 27.41 27.84 1jts h HIS 51 CO -0.04 -0.32 0.07 -1.49 -0.00 0.00 0.00 177.93 176.15 1jts h TRP 52 N -0.09 0.77 -0.54 5.26 6.55 -0.89 -3.33 115.95 123.67 1jts h TRP 52 Ca 0.26 -0.11 -0.01 0.00 0.95 0.00 0.00 58.89 59.97 1jts h TRP 52 Cb 0.50 -0.21 -0.01 0.00 -0.86 0.00 0.00 29.16 28.58 1jts h TRP 52 CO -0.54 0.74 0.02 0.09 -1.05 0.00 0.00 178.44 177.70 1jts n ASN 53 N -4.47 5.34 -4.93 -3.49 3.02 -1.02 -4.97 115.26 104.74 1jts n ASN 53 Ca 0.00 -2.88 -0.25 0.00 -0.03 0.00 0.00 54.58 51.42 1jts n ASN 53 Cb 0.25 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.72 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 -2.64 3.52 0.07 3.52 0.23 -1.04 -4.61 119.30 118.35 1jts s MET 54 Ca 0.50 -0.30 -0.19 0.00 -1.03 0.00 0.00 55.69 54.67 1jts s MET 54 Cb 0.39 -2.72 0.04 0.00 -1.53 0.00 0.00 34.83 31.01 1jts s MET 54 CO 0.15 0.25 0.45 1.03 -2.03 0.00 0.00 175.02 174.86 1jts s ARG 55 N -3.89 1.00 0.00 3.16 0.52 -0.67 -4.99 118.95 114.09 1jts s ARG 55 Ca 0.40 -0.40 0.00 0.00 -0.52 0.00 0.00 55.73 55.21 1jts s ARG 55 Cb -0.10 0.45 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1jts s ARG 55 CO 0.33 -0.37 0.00 0.41 0.02 0.00 0.00 175.30 175.69 1jts n GLY 56 N 0.28 0.40 3.78 -3.53 0.00 -1.26 -1.83 105.19 103.02 1jts n GLY 56 Ca -0.18 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.14 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 -1.97 3.59 -1.45 4.61 0.00 -1.26 -2.65 121.76 122.63 1jts s ALA 57 Ca 0.00 1.59 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 1jts s ALA 57 Cb 0.00 -3.62 0.02 0.00 0.00 0.00 0.00 23.12 19.52 1jts s ALA 57 CO 0.00 -1.08 0.39 -1.71 0.00 0.00 0.00 175.76 173.36 1jts n ASN 58 N 0.55 -5.16 0.39 0.00 5.15 -1.26 -4.78 115.26 110.14 1jts n ASN 58 Ca 0.01 -0.19 -0.15 0.00 -0.60 0.00 0.00 54.58 53.65 1jts n ASN 58 Cb 0.39 -4.24 -0.07 0.00 -0.53 0.00 0.00 39.78 35.33 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 -0.85 -0.93 -0.32 1.20 3.04 -1.87 -3.04 116.94 114.17 1jts h PHE 59 Ca -0.46 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 61.54 1jts h PHE 59 Cb 1.32 0.31 -0.08 0.00 2.56 0.00 0.00 35.95 40.06 1jts h PHE 59 CO 0.60 -0.58 -0.26 0.97 -2.02 0.00 0.00 178.31 177.02 1jts h ILE 60 N -1.10 0.34 -0.18 1.41 6.09 -1.91 0.52 117.51 122.67 1jts h ILE 60 Ca -0.10 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.43 1jts h ILE 60 Cb 0.77 0.34 -0.04 0.00 0.47 0.00 0.00 36.82 38.36 1jts h ILE 60 CO 0.17 0.00 -0.09 0.00 -3.07 0.00 0.00 178.15 175.16 1jts h ALA 61 N 0.84 0.07 -0.55 0.18 0.00 -1.99 -0.11 119.26 117.70 1jts h ALA 61 Ca 0.16 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 1jts h ALA 61 Cb 0.48 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1jts h ALA 61 CO -0.45 -0.52 -0.01 0.28 0.00 0.00 0.00 179.25 178.55 1jts h VAL 62 N -0.07 1.26 -0.34 0.00 2.07 -1.35 0.18 116.25 118.00 1jts h VAL 62 Ca 0.10 -1.13 0.07 0.00 0.82 0.00 0.00 66.70 66.56 1jts h VAL 62 Cb 0.22 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1jts h VAL 62 CO -0.23 0.40 -0.09 -0.74 0.02 0.00 0.00 177.57 176.94 1jts h HIS 63 N 0.86 -0.18 -0.16 1.57 6.17 0.53 0.40 115.15 124.34 1jts h HIS 63 Ca 0.16 0.03 -0.12 0.00 0.71 0.00 0.00 60.37 61.14 1jts h HIS 63 Cb 0.55 0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.62 1jts h HIS 63 CO 0.04 -0.15 -0.38 0.93 0.71 0.00 0.00 177.93 179.08 1jts h GLU 64 N -0.00 0.55 -0.50 5.26 5.08 -0.89 -3.17 114.58 120.91 1jts h GLU 64 Ca 0.16 -0.37 0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1jts h GLU 64 Cb 0.25 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 1jts h GLU 64 CO -0.35 0.99 -0.11 1.98 -1.00 0.00 0.00 179.01 180.51 1jts h MET 65 N 0.19 0.01 -0.86 2.33 4.05 -0.14 -0.24 114.93 120.27 1jts h MET 65 Ca -0.00 -0.00 0.12 0.00 -0.28 0.00 0.00 59.70 59.54 1jts h MET 65 Cb 0.99 -0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.71 1jts h MET 65 CO 0.08 0.01 0.48 -0.07 0.23 0.00 0.00 176.91 177.64 1jts h LEU 66 N 0.01 0.66 -1.36 3.39 4.07 -0.95 -0.44 115.31 120.68 1jts h LEU 66 Ca 0.24 0.06 0.01 0.00 0.08 0.00 0.00 57.88 58.28 1jts h LEU 66 Cb 0.37 -0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 1jts h LEU 66 CO -0.51 0.34 0.44 -0.78 -1.08 0.00 0.00 178.44 176.85 1jts h ASP 67 N 0.75 0.75 -0.09 -0.43 1.82 -1.02 -1.66 116.42 116.54 1jts h ASP 67 Ca 0.44 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1jts h ASP 67 Cb 0.49 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.31 1jts h ASP 67 CO -0.29 0.54 0.04 1.23 -1.61 0.00 0.00 179.24 179.15 1jts h GLY 68 N 0.89 0.12 0.45 -0.78 0.00 -0.69 -2.63 103.07 100.43 1jts h GLY 68 Ca 0.24 -0.03 0.06 0.00 0.00 0.00 0.00 47.33 47.60 1jts h GLY 68 CO -0.05 0.03 -0.04 0.74 0.00 0.00 0.00 176.54 177.21 1jts h PHE 69 N 0.10 -0.10 -0.65 5.60 0.04 -1.09 -2.03 116.94 118.81 1jts h PHE 69 Ca 0.04 0.03 0.14 0.00 2.80 0.00 0.00 57.97 60.97 1jts h PHE 69 Cb 0.00 0.09 -0.11 0.00 2.20 0.00 0.00 35.95 38.13 1jts h PHE 69 CO -0.09 -0.10 -0.03 -0.09 -0.60 0.00 0.00 178.31 177.41 1jts h ARG 70 N 0.04 0.09 -0.51 1.51 2.43 -1.05 0.25 114.38 117.13 1jts h ARG 70 Ca 0.15 -0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1jts h ARG 70 Cb 0.21 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1jts h ARG 70 CO -0.28 0.06 0.32 1.15 -1.51 0.00 0.00 179.97 179.70 1jts h THR 71 N 0.09 1.07 -0.30 0.20 2.02 -1.03 -1.07 112.91 113.89 1jts h THR 71 Ca 0.34 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1jts h THR 71 Cb 0.56 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1jts h THR 71 CO -0.59 0.12 0.10 0.00 0.37 0.00 0.00 175.52 175.52 1jts h ALA 72 N 1.22 0.39 -0.01 6.16 0.00 -0.50 -2.29 119.26 124.22 1jts h ALA 72 Ca 0.20 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1jts h ALA 72 Cb -0.01 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1jts h ALA 72 CO -0.08 0.02 -0.36 -0.07 0.00 0.00 0.00 179.25 178.76 1jts h LEU 73 N 0.32 -1.08 -1.15 0.00 4.07 -0.31 -1.03 115.31 116.14 1jts h LEU 73 Ca 0.10 0.14 0.15 0.00 0.08 0.00 0.00 57.88 58.34 1jts h LEU 73 Cb 0.24 0.43 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 1jts h LEU 73 CO -0.00 -0.41 0.61 0.40 -1.08 0.00 0.00 178.44 177.95 1jts h ILE 74 N -0.50 0.82 0.66 1.22 2.04 -1.10 0.13 117.51 120.78 1jts h ILE 74 Ca 0.06 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1jts h ILE 74 Cb 0.59 -0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1jts h ILE 74 CO -0.29 0.14 -0.32 0.00 0.00 0.00 0.00 178.15 177.68 1jts h HIS 76 N -1.06 -0.38 -0.53 0.00 3.86 -0.79 -1.13 115.15 115.13 1jts h HIS 76 Ca -0.09 0.02 0.09 0.00 -1.16 0.00 0.00 60.37 59.23 1jts h HIS 76 Cb 0.72 0.19 -0.11 0.00 1.06 0.00 0.00 27.41 29.28 1jts h HIS 76 CO -0.00 -0.22 -0.36 1.25 0.86 0.00 0.00 177.93 179.46 1jts h LEU 77 N -0.18 -1.22 -1.63 2.43 6.46 -0.74 0.64 115.31 121.06 1jts h LEU 77 Ca 0.10 0.22 -0.03 0.00 -0.12 0.00 0.00 57.88 58.05 1jts h LEU 77 Cb 0.32 0.58 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 1jts h LEU 77 CO -0.25 -0.32 -0.14 0.00 -0.62 0.00 0.00 178.44 177.11 1jts h ALA 78 N 0.83 1.70 -0.47 1.25 0.00 -0.63 -1.38 119.26 120.55 1jts h ALA 78 Ca 0.20 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jts h ALA 78 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1jts h ALA 78 CO -0.64 0.22 -0.18 1.15 0.00 0.00 0.00 179.25 179.80 1jts h THR 79 N 0.05 1.27 -0.17 0.00 2.02 0.33 -1.24 112.91 115.17 1jts h THR 79 Ca 0.01 -1.34 -0.04 0.00 0.77 0.00 0.00 66.41 65.81 1jts h THR 79 Cb 0.29 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1jts h THR 79 CO 0.02 0.46 -0.07 0.24 0.37 0.00 0.00 175.52 176.54 1jts h MET 80 N 0.81 0.34 -0.72 6.66 2.86 -0.61 -1.55 114.93 122.72 1jts h MET 80 Ca 0.11 -0.14 0.11 0.00 -2.06 0.00 0.00 59.70 57.71 1jts h MET 80 Cb 0.76 -0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.33 1jts h MET 80 CO 0.06 0.64 0.34 0.00 1.06 0.00 0.00 176.91 179.01 1jts h ALA 81 N 0.69 1.00 -0.52 6.32 0.00 -1.17 -1.10 119.26 124.48 1jts h ALA 81 Ca 0.04 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1jts h ALA 81 Cb 0.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1jts h ALA 81 CO 0.02 -0.09 -0.01 0.93 0.00 0.00 0.00 179.25 180.11 1jts h GLU 82 N 0.56 0.89 -0.35 0.00 5.08 -1.06 -2.08 114.58 117.62 1jts h GLU 82 Ca 0.37 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1jts h GLU 82 Cb 0.43 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1jts h GLU 82 CO -0.30 0.89 0.20 -0.09 -1.00 0.00 0.00 179.01 178.71 1jts h ARG 83 N 0.82 0.49 0.07 2.33 9.65 -0.22 -0.54 114.38 126.98 1jts h ARG 83 Ca 0.15 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.00 1jts h ARG 83 Cb 0.50 -0.10 -0.03 0.00 -1.39 0.00 0.00 29.97 28.95 1jts h ARG 83 CO 0.02 0.39 -0.19 0.00 2.80 0.00 0.00 179.97 182.99 1jts h ALA 84 N 1.07 -0.29 -0.14 2.80 0.00 -1.04 -2.14 119.26 119.52 1jts h ALA 84 Ca 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jts h ALA 84 Cb 0.04 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1jts h ALA 84 CO -0.02 -0.71 0.04 0.28 0.00 0.00 0.00 179.25 178.84 1jts h VAL 85 N -0.35 1.07 0.00 0.00 2.07 -1.10 -1.15 116.25 116.79 1jts h VAL 85 Ca 0.04 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.25 1jts h VAL 85 Cb 0.39 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1jts h VAL 85 CO -0.13 0.08 -0.44 1.56 0.02 0.00 0.00 177.57 178.66 1jts h GLN 86 N 0.19 0.00 -0.09 1.57 4.20 -0.59 -2.40 115.11 117.98 1jts h GLN 86 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 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 -0.00 0.44 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 1jts n LEU 87 N -3.91 0.85 0.00 1.46 4.77 -0.49 -4.88 117.00 114.80 1jts n LEU 87 Ca -0.01 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1jts n LEU 87 Cb 0.48 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1jts n LEU 87 CO 0.39 0.18 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1jts n GLY 88 N 0.94 0.61 0.00 -0.72 0.00 -0.90 -4.80 105.19 100.32 1jts n GLY 88 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.65 2.95 -0.02 0.00 -0.90 -0.95 105.19 103.62 1jts n GLY 89 Ca 0.00 -1.70 -0.27 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 -0.38 1.10 0.06 1.61 1.01 -1.26 -4.43 120.40 118.11 1jts s VAL 90 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 61.98 61.31 1jts s VAL 90 Cb 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1jts s VAL 90 CO 0.00 0.37 1.25 0.00 0.00 0.00 0.00 175.10 176.72 1jts s ALA 91 N 1.42 3.45 -0.33 5.51 0.00 -1.26 -4.95 121.76 125.59 1jts s ALA 91 Ca -0.00 0.88 -0.05 0.00 0.00 0.00 0.00 51.96 52.79 1jts s ALA 91 Cb -0.13 -3.48 0.04 0.00 0.00 0.00 0.00 23.12 19.55 1jts s ALA 91 CO -0.05 -0.54 0.09 -0.51 0.00 0.00 0.00 175.76 174.75 1jts s LEU 92 N 1.28 4.28 0.00 0.00 1.43 -1.26 -4.93 118.68 119.48 1jts s LEU 92 Ca 0.60 -1.20 0.15 0.00 -1.03 0.00 0.00 54.13 52.66 1jts s LEU 92 Cb -0.31 -1.84 0.26 0.00 0.03 0.00 0.00 46.19 44.33 1jts s LEU 92 CO 0.28 -0.32 1.10 0.61 0.23 0.00 0.00 176.35 178.25 1jts n GLY 93 N 4.77 0.80 3.86 -3.19 0.00 -1.26 -4.45 105.19 105.73 1jts n GLY 93 Ca -0.12 -0.51 -0.31 0.00 0.00 0.00 0.00 46.02 45.08 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 4.68 0.20 2.61 -4.23 -1.26 -4.89 115.64 112.74 1jts s THR 94 Ca 0.20 0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 61.48 1jts s THR 94 Cb 0.23 -3.79 0.14 0.00 1.34 0.00 0.00 72.50 70.42 1jts s THR 94 CO -0.10 -0.84 1.70 0.74 -0.54 0.00 0.00 174.62 175.58 1jts h THR 95 N 0.43 0.65 -0.30 3.99 2.02 -1.99 -1.08 112.91 116.63 1jts h THR 95 Ca -0.46 -0.08 0.04 0.00 0.77 0.00 0.00 66.41 66.68 1jts h THR 95 Cb 1.19 0.41 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 1jts h THR 95 CO 0.62 0.04 0.08 0.06 0.37 0.00 0.00 175.52 176.69 1jts h GLN 96 N 0.22 0.19 -0.72 6.66 -0.00 -1.98 0.60 115.11 120.07 1jts h GLN 96 Ca 0.28 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.91 1jts h GLN 96 Cb 0.41 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.48 27.82 1jts h GLN 96 CO -0.39 0.13 0.38 0.28 -0.00 0.00 0.00 178.83 179.24 1jts h VAL 97 N 0.20 1.23 0.10 1.86 2.07 -1.80 -1.71 116.25 118.19 1jts h VAL 97 Ca 0.14 -0.58 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 1jts h VAL 97 Cb 0.13 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1jts h VAL 97 CO -0.17 0.25 -0.05 0.40 0.02 0.00 0.00 177.57 178.03 1jts h ILE 98 N 1.00 1.05 -0.48 4.57 1.08 -0.68 -2.22 117.51 121.84 1jts h ILE 98 Ca 0.25 -0.59 0.09 0.00 -0.39 0.00 0.00 64.86 64.22 1jts h ILE 98 Cb 0.06 1.43 -0.09 0.00 -3.07 0.00 0.00 36.82 35.15 1jts h ILE 98 CO -0.04 0.14 -0.07 -1.13 -0.69 0.00 0.00 178.15 176.37 1jts h ASN 99 N -0.41 -0.34 0.11 1.72 -0.73 0.38 0.20 115.58 116.51 1jts h ASN 99 Ca -0.01 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.28 1jts h ASN 99 Cb 0.34 0.26 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1jts h ASN 99 CO 0.02 -0.12 -0.05 0.77 -0.37 0.00 0.00 177.43 177.68 1jts h SER 100 N 0.04 -0.13 1.02 1.15 4.64 -1.36 -3.38 113.55 115.54 1jts h SER 100 Ca 0.23 -0.40 -0.10 0.00 -0.47 0.00 0.00 61.79 61.06 1jts h SER 100 Cb 0.36 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1jts h SER 100 CO -0.45 0.49 -0.49 0.11 -0.87 0.00 0.00 176.83 175.62 1jts h LYS 101 N -0.92 0.00 -6.13 4.77 1.57 -1.40 -3.47 116.57 110.99 1jts h LYS 101 Ca -0.02 0.00 -0.74 0.00 -1.87 0.00 0.00 60.65 58.02 1jts h LYS 101 Cb 0.52 0.00 0.05 0.00 0.08 0.00 0.00 32.23 32.88 1jts h LYS 101 CO 0.03 0.49 0.32 -2.37 -0.57 0.00 0.00 179.45 177.34 1jts n THR 102 N -3.45 0.02 0.56 -0.16 5.66 0.70 -4.88 114.28 112.73 1jts n THR 102 Ca 0.00 -0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1jts n THR 102 Cb 0.62 -0.46 0.18 0.00 -1.55 0.00 0.00 70.33 69.12 1jts n THR 102 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1jts n PRO 103 N 2.31 2.22 -4.35 1.09 -0.04 -1.26 -4.89 135.00 130.07 1jts n PRO 103 Ca 0.20 -1.45 -0.34 0.00 -0.04 0.00 0.00 63.50 61.87 1jts n PRO 103 Cb 0.12 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.00 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 -1.12 3.43 0.68 1.53 1.43 -1.26 -5.06 118.68 118.30 1jts s LEU 104 Ca 0.26 -0.01 -0.17 0.00 -1.03 0.00 0.00 54.13 53.18 1jts s LEU 104 Cb 0.16 -1.81 -0.00 0.00 0.03 0.00 0.00 46.19 44.56 1jts s LEU 104 CO 0.15 0.24 1.09 1.17 0.23 0.00 0.00 176.35 179.24 1jts n LYS 105 N 3.03 0.76 -1.97 1.70 4.81 -1.26 -4.89 118.16 120.34 1jts n LYS 105 Ca -0.18 0.32 -0.40 0.00 -0.87 0.00 0.00 58.31 57.18 1jts n LYS 105 Cb 0.53 -2.33 -0.01 0.00 0.02 0.00 0.00 35.03 33.24 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 -1.51 6.44 0.19 3.14 0.15 -1.26 -4.95 113.70 115.90 1jts s SER 106 Ca 0.77 2.82 -0.30 0.00 0.70 0.00 0.00 55.95 59.95 1jts s SER 106 Cb -0.37 -2.65 -0.08 0.00 -1.71 0.00 0.00 66.02 61.21 1jts s SER 106 CO 0.46 -0.78 0.96 -0.47 1.20 0.00 0.00 173.24 174.61 1jts s TYR 107 N -1.17 3.89 -0.03 3.44 6.14 -1.26 -4.99 117.35 123.38 1jts s TYR 107 Ca 0.53 1.85 -0.30 0.00 0.64 0.00 0.00 57.07 59.79 1jts s TYR 107 Cb -0.42 -3.04 -0.08 0.00 0.42 0.00 0.00 41.96 38.84 1jts s TYR 107 CO 0.56 0.27 2.03 -2.30 0.64 0.00 0.00 175.55 176.74 1jts n PRO 108 N 1.99 2.63 -1.01 4.97 -0.02 -1.26 -4.91 135.00 137.39 1jts n PRO 108 Ca -0.00 0.92 -0.22 0.00 -2.02 0.00 0.00 63.50 62.18 1jts n PRO 108 Cb 0.48 -3.03 0.09 0.00 -0.02 0.00 0.00 33.50 31.01 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 8.37 6.46 -0.23 2.45 4.32 -1.26 -4.02 117.00 133.09 1jts n LEU 109 Ca 0.22 -3.44 0.00 0.00 -0.02 0.00 0.00 56.01 52.78 1jts n LEU 109 Cb 0.41 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 41.31 1jts n LEU 109 CO 0.68 1.15 0.16 -0.90 -1.22 0.00 0.00 177.39 177.26 1jts n ASP 110 N -0.44 0.00 -4.89 -1.43 5.68 -1.26 -5.11 116.55 109.11 1jts n ASP 110 Ca 0.44 -1.15 -0.30 0.00 -0.50 0.00 0.00 54.79 53.28 1jts n ASP 110 Cb 0.94 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.85 1jts n ASP 110 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 1jts s ILE 111 N 0.00 4.88 0.00 2.12 -4.36 -1.26 -5.01 121.20 117.57 1jts s ILE 111 Ca 0.00 0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.79 1jts s ILE 111 Cb 0.00 -3.72 0.00 0.00 1.25 0.00 0.00 42.46 39.99 1jts s ILE 111 CO 0.00 -0.41 0.00 1.41 0.24 0.00 0.00 174.94 176.18 1jts n HIS 112 N -1.06 0.00 -0.92 1.37 8.25 -1.26 -4.85 115.22 116.75 1jts n HIS 112 Ca 0.01 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 1jts n HIS 112 Cb 0.54 0.41 0.11 0.00 1.12 0.00 0.00 29.99 32.16 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 -2.45 -1.93 -0.01 0.41 2.85 -1.26 -1.67 115.26 111.19 1jts n ASN 113 Ca 0.00 0.39 -0.16 0.00 -0.11 0.00 0.00 54.58 54.71 1jts n ASN 113 Cb 0.05 -1.20 -0.05 0.00 1.24 0.00 0.00 39.78 39.82 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 -1.26 1.30 -0.76 3.44 2.07 -1.67 -3.05 116.25 116.32 1jts h VAL 114 Ca -0.44 -1.98 0.06 0.00 0.82 0.00 0.00 66.70 65.16 1jts h VAL 114 Cb 1.30 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 32.98 1jts h VAL 114 CO 0.36 0.62 0.45 1.56 0.02 0.00 0.00 177.57 180.58 1jts h GLN 115 N 0.50 0.81 -0.17 1.57 1.08 -1.89 0.10 115.11 117.12 1jts h GLN 115 Ca -0.04 -0.05 -0.07 0.00 -1.45 0.00 0.00 58.65 57.04 1jts h GLN 115 Cb 1.36 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 1jts h GLN 115 CO 0.15 0.53 -0.19 -0.44 -0.95 0.00 0.00 178.83 177.94 1jts h ASP 116 N 0.83 0.27 0.09 1.46 3.45 -1.91 -1.69 116.42 118.92 1jts h ASP 116 Ca 0.33 -0.07 -0.27 0.00 0.43 0.00 0.00 57.03 57.45 1jts h ASP 116 Cb 0.16 -0.07 0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1jts h ASP 116 CO -0.17 0.48 -1.09 0.45 -1.57 0.00 0.00 179.24 177.34 1jts h HIS 117 N 0.26 0.98 -0.33 4.55 3.86 -1.22 -2.54 115.15 120.70 1jts h HIS 117 Ca 0.05 -0.56 -0.00 0.00 -1.16 0.00 0.00 60.37 58.70 1jts h HIS 117 Cb 0.49 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1jts h HIS 117 CO 0.01 1.40 0.19 -0.07 0.86 0.00 0.00 177.93 180.32 1jts h LEU 118 N 0.34 0.41 -0.28 2.43 4.07 -0.64 -0.21 115.31 121.43 1jts h LEU 118 Ca -0.14 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.75 1jts h LEU 118 Cb 1.75 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.37 1jts h LEU 118 CO 0.21 0.36 0.18 0.11 -1.08 0.00 0.00 178.44 178.22 1jts h LYS 119 N 0.42 0.36 -0.34 1.13 1.57 -1.36 0.58 116.57 118.94 1jts h LYS 119 Ca 0.12 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1jts h LYS 119 Cb 0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1jts h LYS 119 CO -0.02 0.24 0.21 0.93 -0.57 0.00 0.00 179.45 180.23 1jts h GLU 120 N 0.37 0.46 -0.03 3.15 4.39 -1.22 -2.41 114.58 119.29 1jts h GLU 120 Ca 0.10 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1jts h GLU 120 Cb -0.04 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1jts h GLU 120 CO -0.02 0.35 0.01 -0.07 -1.16 0.00 0.00 179.01 178.11 1jts h LEU 121 N 0.44 0.04 -0.82 1.33 3.38 -0.77 -2.69 115.31 116.21 1jts h LEU 121 Ca 0.12 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.11 1jts h LEU 121 Cb 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 40.66 40.60 1jts h LEU 121 CO -0.02 0.21 -0.01 0.00 0.09 0.00 0.00 178.44 178.70 1jts h ALA 122 N 0.83 0.86 0.80 1.53 0.00 0.35 0.37 119.26 123.99 1jts h ALA 122 Ca 0.01 0.27 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 1jts h ALA 122 Cb 0.18 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1jts h ALA 122 CO -0.00 -0.45 -0.38 -0.44 0.00 0.00 0.00 179.25 177.98 1jts h ASP 123 N 0.08 -0.90 -0.97 0.00 3.45 -1.28 0.86 116.42 117.66 1jts h ASP 123 Ca 0.46 0.02 0.06 0.00 0.43 0.00 0.00 57.03 58.00 1jts h ASP 123 Cb 0.83 0.23 -0.07 0.00 -0.56 0.00 0.00 39.33 39.77 1jts h ASP 123 CO -0.75 -0.60 0.62 0.03 -1.57 0.00 0.00 179.24 176.97 1jts h ARG 124 N -1.14 1.09 -0.39 3.56 2.47 -0.94 -0.60 114.38 118.43 1jts h ARG 124 Ca -0.11 -0.07 -0.04 0.00 -1.26 0.00 0.00 59.98 58.51 1jts h ARG 124 Cb 0.83 -0.25 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1jts h ARG 124 CO 0.18 0.72 0.10 1.88 0.56 0.00 0.00 179.97 183.41 1jts h TYR 125 N 1.12 0.64 -0.60 3.04 -1.99 -0.23 -2.39 116.97 116.56 1jts h TYR 125 Ca 0.42 -0.07 0.09 0.00 2.00 0.00 0.00 58.73 61.16 1jts h TYR 125 Cb 0.17 -0.18 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 1jts h TYR 125 CO -0.01 0.62 0.23 0.00 -0.00 0.00 0.00 178.16 179.00 1jts h ALA 126 N 0.95 0.78 0.10 3.88 0.00 0.36 1.04 119.26 126.35 1jts h ALA 126 Ca 0.12 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1jts h ALA 126 Cb 0.30 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1jts h ALA 126 CO 0.00 -0.18 -0.25 0.82 0.00 0.00 0.00 179.25 179.64 1jts h ILE 127 N 0.42 0.44 -0.31 0.00 5.03 -0.87 0.89 117.51 123.11 1jts h ILE 127 Ca 0.30 0.00 -0.04 0.00 -0.12 0.00 0.00 64.86 65.00 1jts h ILE 127 Cb 0.35 0.44 -0.01 0.00 -3.03 0.00 0.00 36.82 34.57 1jts h ILE 127 CO -0.29 0.00 0.04 0.58 -0.68 0.00 0.00 178.15 177.80 1jts h VAL 128 N -0.45 1.24 0.26 1.67 2.07 -0.87 -0.94 116.25 119.23 1jts h VAL 128 Ca 0.04 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.71 1jts h VAL 128 Cb 0.48 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 1jts h VAL 128 CO -0.16 0.28 -0.25 0.00 0.02 0.00 0.00 177.57 177.45 1jts h ALA 129 N 0.87 -0.53 -0.78 1.67 0.00 0.13 -0.15 119.26 120.47 1jts h ALA 129 Ca 0.09 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jts h ALA 129 Cb 0.37 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1jts h ALA 129 CO 0.01 -0.83 0.40 -0.91 0.00 0.00 0.00 179.25 177.92 1jts h ASN 130 N -0.54 1.01 0.49 0.00 2.35 -0.82 -1.44 115.58 116.62 1jts h ASN 130 Ca -0.01 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.60 1jts h ASN 130 Cb 0.50 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.62 1jts h ASN 130 CO -0.06 0.84 -0.23 -0.78 -1.65 0.00 0.00 177.43 175.55 1jts h ASP 131 N 1.10 -0.55 -0.34 5.81 -0.00 -0.96 -2.73 116.42 118.74 1jts h ASP 131 Ca 0.27 -0.06 0.00 0.00 -0.00 0.00 0.00 57.03 57.25 1jts h ASP 131 Cb 0.09 0.14 -0.02 0.00 -0.00 0.00 0.00 39.33 39.54 1jts h ASP 131 CO -0.04 -0.26 0.22 1.62 -0.00 0.00 0.00 179.24 180.78 1jts h VAL 132 N -0.84 1.08 -0.66 2.25 3.04 -1.00 -0.71 116.25 119.41 1jts h VAL 132 Ca -0.07 -0.15 -0.02 0.00 -1.01 0.00 0.00 66.70 65.45 1jts h VAL 132 Cb 0.58 0.59 -0.03 0.00 -2.01 0.00 0.00 31.29 30.42 1jts h VAL 132 CO 0.11 0.08 0.33 -0.09 -1.01 0.00 0.00 177.57 176.99 1jts h ARG 133 N 0.45 0.92 -0.10 4.17 2.43 -1.16 -2.57 114.38 118.53 1jts h ARG 133 Ca 0.12 -0.11 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1jts h ARG 133 Cb -0.05 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.33 1jts h ARG 133 CO -0.03 0.70 -0.26 0.87 -1.51 0.00 0.00 179.97 179.75 1jts h LYS 134 N 0.92 0.35 -1.01 0.20 1.57 -0.93 -3.16 116.57 114.51 1jts h LYS 134 Ca 0.23 -0.24 0.29 0.00 -1.87 0.00 0.00 60.65 59.06 1jts h LYS 134 Cb 0.07 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 1jts h LYS 134 CO -0.03 0.86 0.81 0.00 -0.57 0.00 0.00 179.45 180.51 1jts h ALA 135 N 0.49 2.90 -0.72 3.86 0.00 -0.78 0.17 119.26 125.17 1jts h ALA 135 Ca -0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 135 Cb 0.87 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1jts h ALA 135 CO 0.06 -1.33 0.42 0.82 0.00 0.00 0.00 179.25 179.22 1jts h ILE 136 N 0.00 1.00 0.02 0.00 2.04 -1.46 -1.71 117.51 117.40 1jts h ILE 136 Ca 0.48 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 66.07 1jts h ILE 136 Cb 2.09 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1jts h ILE 136 CO -0.01 0.14 -0.01 1.23 0.00 0.00 0.00 178.15 179.51 1jts h GLY 137 N 0.78 -0.02 0.74 5.37 0.00 -0.84 -3.11 103.07 105.99 1jts h GLY 137 Ca 0.32 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1jts h GLY 137 CO -0.17 -0.01 0.00 -1.84 0.00 0.00 0.00 176.54 174.52 1jts n GLU 138 N -4.88 0.57 -3.11 4.80 0.28 -1.11 -4.61 120.64 112.58 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 0.24 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 31.67 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 3.44 0.09 -1.84 0.00 -0.66 -4.93 121.76 115.86 1jts s ALA 139 Ca 0.20 -0.88 0.04 0.00 0.00 0.00 0.00 51.96 51.32 1jts s ALA 139 Cb 0.09 -3.19 -0.23 0.00 0.00 0.00 0.00 23.12 19.79 1jts s ALA 139 CO 0.16 -1.39 1.18 0.87 0.00 0.00 0.00 175.76 176.58 1jts h LYS 140 N 8.50 0.08 -6.26 0.00 6.56 -1.88 -3.44 116.57 120.13 1jts h LYS 140 Ca -0.26 -0.13 -0.57 0.00 -1.06 0.00 0.00 60.65 58.63 1jts h LYS 140 Cb 1.11 0.05 -0.04 0.00 -0.57 0.00 0.00 32.23 32.78 1jts h LYS 140 CO 0.84 1.02 0.99 0.34 -2.06 0.00 0.00 179.45 180.59 1jts s ASP 141 N -6.79 6.70 0.16 0.86 3.68 -1.26 -4.92 116.67 115.10 1jts s ASP 141 Ca -0.01 1.54 -0.23 0.00 2.13 0.00 0.00 52.55 55.98 1jts s ASP 141 Cb 0.09 -2.54 0.06 0.00 -1.45 0.00 0.00 42.92 39.08 1jts s ASP 141 CO 0.84 -1.00 1.60 0.44 0.13 0.00 0.00 175.17 177.18 1jts h ASP 142 N 9.26 -1.03 -0.20 -0.34 3.32 -1.99 0.16 116.42 125.60 1jts h ASP 142 Ca -0.29 0.19 0.05 0.00 0.02 0.00 0.00 57.03 57.00 1jts h ASP 142 Cb 1.12 0.49 -0.05 0.00 0.22 0.00 0.00 39.33 41.10 1jts h ASP 142 CO 1.00 -0.31 -0.15 0.44 -1.72 0.00 0.00 179.24 178.50 1jts h ASP 143 N -0.25 -0.47 -0.34 6.45 3.45 -1.98 -0.39 116.42 122.90 1jts h ASP 143 Ca 0.17 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.73 1jts h ASP 143 Cb 0.53 0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.52 1jts h ASP 143 CO -0.52 -0.19 0.22 0.74 -1.57 0.00 0.00 179.24 177.92 1jts h THR 144 N -0.15 1.09 -0.47 0.35 2.02 -1.75 -0.55 112.91 113.45 1jts h THR 144 Ca 0.12 -0.19 -0.10 0.00 0.77 0.00 0.00 66.41 67.01 1jts h THR 144 Cb 0.32 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1jts h THR 144 CO -0.29 0.09 -0.08 0.00 0.37 0.00 0.00 175.52 175.61 1jts h ALA 145 N 1.77 0.64 -0.16 6.16 0.00 0.31 -2.28 119.26 125.70 1jts h ALA 145 Ca 0.13 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jts h ALA 145 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1jts h ALA 145 CO -0.03 0.52 0.10 0.22 0.00 0.00 0.00 179.25 180.06 1jts h ASP 146 N 0.73 0.19 -0.62 0.00 1.82 0.05 -0.99 116.42 117.60 1jts h ASP 146 Ca 0.12 -0.03 0.10 0.00 -0.39 0.00 0.00 57.03 56.83 1jts h ASP 146 Cb 0.62 -0.05 -0.08 0.00 0.68 0.00 0.00 39.33 40.51 1jts h ASP 146 CO 0.04 0.17 0.22 0.40 -1.61 0.00 0.00 179.24 178.46 1jts h ILE 147 N 0.20 0.73 -0.13 2.25 2.04 -1.03 -0.91 117.51 120.66 1jts h ILE 147 Ca 0.06 -0.13 -0.10 0.00 1.00 0.00 0.00 64.86 65.68 1jts h ILE 147 Cb 0.01 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.39 1jts h ILE 147 CO -0.01 0.07 -0.37 -0.07 0.00 0.00 0.00 178.15 177.77 1jts h LEU 148 N 0.39 0.29 -0.50 1.44 3.38 -1.01 -2.34 115.31 116.96 1jts h LEU 148 Ca 0.32 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 1jts h LEU 148 Cb 0.42 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jts h LEU 148 CO -0.34 0.64 0.09 0.74 0.09 0.00 0.00 178.44 179.66 1jts h THR 149 N 0.24 1.25 -0.42 0.22 2.02 0.12 0.32 112.91 116.67 1jts h THR 149 Ca 0.03 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.28 1jts h THR 149 Cb 0.77 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1jts h THR 149 CO 0.06 0.33 0.21 0.00 0.37 0.00 0.00 175.52 176.49 1jts h ALA 150 N 0.97 0.54 -0.25 6.16 0.00 -1.14 0.17 119.26 125.72 1jts h ALA 150 Ca 0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1jts h ALA 150 Cb 0.39 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1jts h ALA 150 CO 0.01 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.38 1jts h ALA 151 N 1.06 0.33 -0.27 0.00 0.00 -1.19 -2.81 119.26 116.38 1jts h ALA 151 Ca 0.15 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jts h ALA 151 Cb 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jts h ALA 151 CO -0.02 0.02 0.11 1.03 0.00 0.00 0.00 179.25 180.39 1jts h SER 152 N 0.21 0.14 -0.85 0.00 0.87 -0.07 -0.49 113.55 113.36 1jts h SER 152 Ca 0.07 0.02 0.21 0.00 -1.23 0.00 0.00 61.79 60.87 1jts h SER 152 Cb 0.35 -0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.18 1jts h SER 152 CO 0.01 0.12 0.28 -0.09 -0.53 0.00 0.00 176.83 176.61 1jts h ARG 153 N 0.24 0.28 -0.02 2.24 2.43 -0.53 0.57 114.38 119.59 1jts h ARG 153 Ca 0.12 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1jts h ARG 153 Cb 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1jts h ARG 153 CO -0.10 0.19 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.02 1jts h ASP 154 N 0.29 0.12 -0.94 -3.80 3.45 -1.10 -2.85 116.42 111.59 1jts h ASP 154 Ca 0.52 -0.64 0.14 0.00 0.43 0.00 0.00 57.03 57.48 1jts h ASP 154 Cb 1.00 -0.03 -0.09 0.00 -0.56 0.00 0.00 39.33 39.64 1jts h ASP 154 CO -0.57 0.73 0.55 -0.07 -1.57 0.00 0.00 179.24 178.31 1jts h LEU 155 N -0.50 0.76 -0.84 1.55 -0.00 -0.21 0.20 115.31 116.27 1jts h LEU 155 Ca -0.00 0.07 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 1jts h LEU 155 Cb 0.73 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.29 1jts h LEU 155 CO 0.02 0.36 -0.05 0.44 -0.00 0.00 0.00 178.44 179.21 1jts h ASP 156 N 0.82 0.80 -0.32 -0.43 3.45 -0.95 -0.06 116.42 119.73 1jts h ASP 156 Ca 0.49 -0.22 -0.08 0.00 0.43 0.00 0.00 57.03 57.65 1jts h ASP 156 Cb 0.60 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.15 1jts h ASP 156 CO -0.31 0.89 -0.12 0.50 -1.57 0.00 0.00 179.24 178.62 1jts h LYS 157 N 0.75 0.65 0.14 3.56 3.64 -0.74 -1.90 116.57 122.67 1jts h LYS 157 Ca 0.14 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 1jts h LYS 157 Cb 0.52 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1jts h LYS 157 CO 0.03 0.85 -0.07 0.74 -2.27 0.00 0.00 179.45 178.74 1jts h PHE 158 N 0.42 -0.17 -0.51 1.91 0.05 -0.46 0.42 116.94 118.59 1jts h PHE 158 Ca 0.08 -0.00 0.09 0.00 3.82 0.00 0.00 57.97 61.96 1jts h PHE 158 Cb 0.64 0.06 -0.08 0.00 2.00 0.00 0.00 35.95 38.57 1jts h PHE 158 CO 0.06 -0.08 0.07 1.25 -0.18 0.00 0.00 178.31 179.43 1jts h LEU 159 N -0.22 -0.08 -0.48 1.54 5.85 -1.00 0.20 115.31 121.13 1jts h LEU 159 Ca -0.02 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.87 1jts h LEU 159 Cb 0.17 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.31 1jts h LEU 159 CO 0.03 -0.02 0.16 -0.25 -0.34 0.00 0.00 178.44 178.03 1jts h TRP 160 N 0.19 0.29 -0.18 1.25 7.01 -0.89 0.73 115.95 124.34 1jts h TRP 160 Ca 0.26 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 1jts h TRP 160 Cb 0.38 -0.06 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1jts h TRP 160 CO -0.26 0.09 0.09 0.74 -2.79 0.00 0.00 178.44 176.31 1jts h PHE 161 N 0.34 0.27 0.13 2.65 -1.00 0.69 0.21 116.94 120.22 1jts h PHE 161 Ca 0.23 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 61.01 1jts h PHE 161 Cb 0.24 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 39.69 1jts h PHE 161 CO -0.16 0.29 -0.21 0.82 -1.61 0.00 0.00 178.31 177.44 1jts h ILE 162 N 0.17 0.53 -0.39 -0.55 2.04 -0.27 -2.73 117.51 116.30 1jts h ILE 162 Ca 0.06 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.95 1jts h ILE 162 Cb 0.13 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 1jts h ILE 162 CO -0.01 0.00 0.21 -0.33 0.00 0.00 0.00 178.15 178.02 1jts h GLU 163 N -0.41 0.41 0.00 2.37 5.08 -0.75 -2.42 114.58 118.87 1jts h GLU 163 Ca 0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jts h GLU 163 Cb 0.42 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1jts h GLU 163 CO -0.10 0.27 0.04 0.77 -1.00 0.00 0.00 179.01 178.99 1jts h SER 164 N 0.42 0.00 0.52 1.42 0.02 -0.33 -0.66 113.55 114.94 1jts h SER 164 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1jts h SER 164 Cb 0.05 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1jts h SER 164 CO -0.10 0.00 -0.80 0.59 -1.14 0.00 0.00 176.83 175.38 1jts n ASN 165 N -2.61 0.63 -4.66 3.07 3.02 -0.91 -4.80 115.26 108.99 1jts n ASN 165 Ca -0.02 -0.20 -0.43 0.00 -0.03 0.00 0.00 54.58 53.90 1jts n ASN 165 Cb 0.09 0.53 -0.02 0.00 -0.61 0.00 0.00 39.78 39.77 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 -3.13 4.63 -2.13 2.41 1.01 -0.26 -5.01 121.20 118.72 1jts s ILE 166 Ca 0.06 1.96 0.31 0.00 0.00 0.00 0.00 60.65 62.98 1jts s ILE 166 Cb 0.15 -4.29 0.82 0.00 0.01 0.00 0.00 42.46 39.15 1jts s ILE 166 CO 0.76 -0.20 2.10 -1.84 0.00 0.00 0.00 174.94 175.76