#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh n ARG 2 N 0.00 0.00 0.00 1.43 0.00 -1.26 -5.14 116.66 111.69 1nsh n ARG 2 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1nsh n ARG 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1nsh n ARG 2 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1nsh n PRO 3 N 0.00 0.91 0.00 -0.14 -0.02 -1.26 -5.11 135.00 129.37 1nsh n PRO 3 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1nsh n PRO 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 1nsh n PRO 3 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1nsh n THR 4 N 0.00 0.00 -0.27 3.45 5.66 -1.26 -4.95 114.28 116.91 1nsh n THR 4 Ca 0.00 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.03 1nsh n THR 4 Cb 0.00 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 68.90 1nsh n THR 4 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1nsh h GLU 5 N 0.00 0.02 -0.18 1.09 4.22 -2.01 0.77 114.58 118.49 1nsh h GLU 5 Ca 0.00 -0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1nsh h GLU 5 Cb 0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1nsh h GLU 5 CO 0.00 0.02 -0.10 1.15 -2.18 0.00 0.00 179.01 177.90 1nsh h THR 6 N 0.03 1.18 -0.97 0.32 2.02 -1.99 -2.50 112.91 110.99 1nsh h THR 6 Ca 0.39 -0.76 0.17 0.00 0.77 0.00 0.00 66.41 66.98 1nsh h THR 6 Cb 0.64 1.15 -0.10 0.00 -1.74 0.00 0.00 68.15 68.11 1nsh h THR 6 CO -0.77 0.24 0.57 -0.08 0.37 0.00 0.00 175.52 175.86 1nsh h GLU 7 N 0.27 0.75 0.00 6.66 4.22 0.18 0.47 114.58 127.14 1nsh h GLU 7 Ca 0.06 -0.05 -0.11 0.00 0.08 0.00 0.00 59.36 59.35 1nsh h GLU 7 Cb 0.35 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1nsh h GLU 7 CO 0.02 0.50 -0.51 -0.09 -2.18 0.00 0.00 179.01 176.75 1nsh h ARG 8 N 0.78 0.00 0.24 1.92 9.65 -1.20 -3.24 114.38 122.52 1nsh h ARG 8 Ca 0.54 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 59.40 1nsh h ARG 8 Cb 0.76 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 1nsh h ARG 8 CO -0.36 0.51 -0.11 0.00 2.80 0.00 0.00 179.97 182.81 1nsh h ILE 10 N -0.72 0.20 -0.48 0.00 5.03 -1.20 -0.17 117.51 120.17 1nsh h ILE 10 Ca -0.03 0.00 0.14 0.00 -0.12 0.00 0.00 64.86 64.85 1nsh h ILE 10 Cb 0.49 0.20 -0.02 0.00 -3.03 0.00 0.00 36.82 34.46 1nsh h ILE 10 CO 0.05 0.00 0.41 -0.33 -0.68 0.00 0.00 178.15 177.60 1nsh h GLU 11 N -0.47 0.00 0.52 2.37 5.08 -1.64 -2.35 114.58 118.09 1nsh h GLU 11 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 1nsh h GLU 11 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 1nsh h GLU 11 CO -0.37 0.00 -0.25 0.77 -1.00 0.00 0.00 179.01 178.16 1nsh h SER 12 N 0.00 -0.59 -0.05 1.42 0.02 -0.84 -2.91 113.55 110.61 1nsh h SER 12 Ca 0.23 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.14 1nsh h SER 12 Cb 1.05 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 1nsh h SER 12 CO -0.00 -0.36 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.21 1nsh h LEU 13 N -0.79 0.13 -1.96 5.07 -0.00 -1.38 -2.95 115.31 113.43 1nsh h LEU 13 Ca -0.07 -0.51 0.28 0.00 -0.00 0.00 0.00 57.88 57.58 1nsh h LEU 13 Cb 0.58 -0.04 -0.04 0.00 -0.00 0.00 0.00 40.66 41.16 1nsh h LEU 13 CO 0.12 0.61 0.72 0.40 -0.00 0.00 0.00 178.44 180.28 1nsh h ILE 14 N -0.35 0.45 0.03 1.22 2.04 -1.53 -0.31 117.51 119.06 1nsh h ILE 14 Ca 0.01 0.00 -0.28 0.00 1.00 0.00 0.00 64.86 65.59 1nsh h ILE 14 Cb 0.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1nsh h ILE 14 CO 0.01 0.00 -1.50 0.00 0.00 0.00 0.00 178.15 176.66 1nsh h ALA 15 N 1.45 0.54 -0.79 1.87 0.00 -1.47 -2.31 119.26 118.55 1nsh h ALA 15 Ca 0.45 -1.24 0.18 0.00 0.00 0.00 0.00 54.91 54.29 1nsh h ALA 15 Cb 1.88 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 19.91 1nsh h ALA 15 CO -0.00 1.39 0.54 -0.39 0.00 0.00 0.00 179.25 180.78 1nsh h VAL 16 N 0.02 0.73 0.00 0.00 -1.51 -0.87 0.35 116.25 114.96 1nsh h VAL 16 Ca -0.21 -0.12 -0.01 0.00 -1.23 0.00 0.00 66.70 65.14 1nsh h VAL 16 Cb 1.95 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 31.47 1nsh h VAL 16 CO 0.11 0.06 -0.06 -0.26 -1.23 0.00 0.00 177.57 176.19 1nsh h PHE 17 N 0.34 0.00 -0.69 5.19 0.04 -1.58 -3.33 116.94 116.91 1nsh h PHE 17 Ca 0.40 0.00 0.20 0.00 2.80 0.00 0.00 57.97 61.37 1nsh h PHE 17 Cb 1.04 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 1nsh h PHE 17 CO -0.00 0.37 0.73 1.96 -0.60 0.00 0.00 178.31 180.76 1nsh h GLN 18 N -1.00 0.00 0.06 1.51 1.08 -0.81 1.06 115.11 117.01 1nsh h GLN 18 Ca -0.01 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1nsh h GLN 18 Cb 0.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.82 1nsh h GLN 18 CO -0.01 0.00 -0.03 -0.22 -0.95 0.00 0.00 178.83 177.62 1nsh h LYS 19 N 0.00 -0.08 0.00 1.46 1.63 -1.06 1.10 116.57 119.62 1nsh h LYS 19 Ca 0.33 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.13 1nsh h LYS 19 Cb 1.78 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 33.42 1nsh h LYS 19 CO -0.00 0.10 -0.05 1.88 -3.45 0.00 0.00 179.45 177.93 1nsh h TYR 20 N -0.24 0.00 0.20 1.91 0.05 -0.71 -3.24 116.97 114.94 1nsh h TYR 20 Ca -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 1nsh h TYR 20 Cb 0.21 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1nsh h TYR 20 CO -0.02 0.98 -0.10 0.00 -1.05 0.00 0.00 178.16 177.97 1nsh h ALA 21 N -0.06 -0.27 -3.00 3.88 0.00 0.90 -3.40 119.26 117.31 1nsh h ALA 21 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nsh h ALA 21 Cb 0.97 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1nsh h ALA 21 CO -0.01 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 179.04 1nsh n GLY 22 N -0.99 0.65 5.00 0.00 0.00 0.37 -4.45 105.19 105.77 1nsh n GLY 22 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1nsh n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nsh n LYS 23 N 0.00 0.00 -3.74 1.61 4.81 -0.98 -4.42 118.16 115.44 1nsh n LYS 23 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 1nsh n LYS 23 Cb 0.00 0.00 -0.12 0.00 0.02 0.00 0.00 35.03 34.93 1nsh n LYS 23 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nsh s ASP 24 N 0.00 -0.28 0.00 3.14 -1.08 -1.26 -4.87 116.67 112.31 1nsh s ASP 24 Ca 0.00 0.55 0.00 0.00 -0.52 0.00 0.00 52.55 52.58 1nsh s ASP 24 Cb 0.00 0.47 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 1nsh s ASP 24 CO 0.00 -0.14 0.00 0.61 0.52 0.00 0.00 175.17 176.16 1nsh n GLY 25 N 3.83 2.98 2.74 2.66 0.00 -1.26 -4.69 105.19 111.44 1nsh n GLY 25 Ca -0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 1nsh n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1nsh n HIS 26 N -0.29 -3.51 -3.71 1.61 8.25 -1.26 -5.05 115.22 111.26 1nsh n HIS 26 Ca 0.00 1.47 -0.21 0.00 -0.26 0.00 0.00 57.72 58.72 1nsh n HIS 26 Cb 0.00 -3.95 -0.04 0.00 1.12 0.00 0.00 29.99 27.12 1nsh n HIS 26 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1nsh s SER 27 N -2.19 5.09 -0.34 0.41 0.01 -1.26 -5.02 113.70 110.40 1nsh s SER 27 Ca 0.15 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 56.82 1nsh s SER 27 Cb -0.04 -0.73 0.66 0.00 0.21 0.00 0.00 66.02 66.12 1nsh s SER 27 CO 0.74 -0.51 1.77 1.33 0.41 0.00 0.00 173.24 176.98 1nsh n VAL 28 N -1.45 2.85 -3.94 3.43 0.24 -1.26 -4.65 118.33 113.56 1nsh n VAL 28 Ca 0.01 -1.59 -0.11 0.00 -2.04 0.00 0.00 64.34 60.61 1nsh n VAL 28 Cb 0.61 -0.44 -0.02 0.00 -1.47 0.00 0.00 33.84 32.52 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1nsh n THR 29 N -0.45 0.00 0.00 3.34 -2.24 -1.26 -4.07 114.28 109.60 1nsh n THR 29 Ca 0.45 -1.37 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 1nsh n THR 29 Cb 1.42 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 70.51 1nsh n THR 29 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1nsh n LEU 30 N 0.00 0.00 -3.60 3.22 0.00 -1.26 -4.43 117.00 110.93 1nsh n LEU 30 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.00 1nsh n LEU 30 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.82 1nsh n LEU 30 CO 0.23 0.00 0.74 -0.55 0.00 0.00 0.00 177.39 177.81 1nsh s SER 31 N 1.08 -0.42 0.30 1.96 0.15 -1.26 -3.77 113.70 111.73 1nsh s SER 31 Ca 0.00 0.65 0.05 0.00 0.70 0.00 0.00 55.95 57.36 1nsh s SER 31 Cb 0.00 1.23 0.75 0.00 -1.71 0.00 0.00 66.02 66.28 1nsh s SER 31 CO 0.00 -0.10 1.74 0.11 1.20 0.00 0.00 173.24 176.19 1nsh h LYS 32 N 6.10 0.57 -0.07 5.44 1.57 -1.98 -0.37 116.57 127.83 1nsh h LYS 32 Ca -0.26 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.28 1nsh h LYS 32 Cb 1.17 -0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.37 1nsh h LYS 32 CO 0.19 0.37 -0.76 1.15 -0.57 0.00 0.00 179.45 179.83 1nsh h THR 33 N 0.58 1.33 -0.38 -0.16 2.02 -2.00 -3.13 112.91 111.17 1nsh h THR 33 Ca 0.58 -2.04 0.11 0.00 0.77 0.00 0.00 66.41 65.83 1nsh h THR 33 Cb 1.01 2.27 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 1nsh h THR 33 CO -0.45 0.62 0.30 -0.33 0.37 0.00 0.00 175.52 176.03 1nsh h GLU 34 N 0.27 0.00 0.00 6.66 5.08 -1.49 0.48 114.58 125.59 1nsh h GLU 34 Ca -0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 1nsh h GLU 34 Cb 1.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.65 1nsh h GLU 34 CO 0.15 0.00 -0.53 0.35 -1.00 0.00 0.00 179.01 177.99 1nsh h PHE 35 N 0.00 0.00 0.88 4.33 3.57 -1.24 -2.85 116.94 121.63 1nsh h PHE 35 Ca 0.18 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.64 1nsh h PHE 35 Cb 0.77 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.52 1nsh h PHE 35 CO 0.00 0.53 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.12 1nsh h LEU 36 N 0.00 -1.00 0.09 0.59 -0.00 0.00 0.11 115.31 115.11 1nsh h LEU 36 Ca -0.01 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.90 1nsh h LEU 36 Cb 1.17 0.26 0.00 0.00 -0.00 0.00 0.00 40.66 42.09 1nsh h LEU 36 CO 0.07 -0.68 -0.04 0.77 -0.00 0.00 0.00 178.44 178.55 1nsh h SER 37 N -1.24 -0.10 -0.02 -0.43 4.64 -1.62 -1.76 113.55 113.02 1nsh h SER 37 Ca -0.12 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.01 1nsh h SER 37 Cb 0.91 0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1nsh h SER 37 CO 0.20 0.14 -0.07 -0.26 -0.87 0.00 0.00 176.83 175.97 1nsh h PHE 38 N -0.35 -0.16 -0.10 4.77 0.04 -1.57 -1.09 116.94 118.47 1nsh h PHE 38 Ca -0.01 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.79 1nsh h PHE 38 Cb 0.30 0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.52 1nsh h PHE 38 CO 0.00 -0.10 0.09 1.98 -0.60 0.00 0.00 178.31 179.68 1nsh h MET 39 N -0.11 0.00 0.00 1.51 4.05 -0.78 0.32 114.93 119.92 1nsh h MET 39 Ca 0.03 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.45 1nsh h MET 39 Cb 0.15 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1nsh h MET 39 CO -0.08 0.00 0.00 -0.91 0.23 0.00 0.00 176.91 176.15 1nsh h ASN 40 N 0.00 0.00 0.00 1.39 2.35 -0.27 0.87 115.58 119.92 1nsh h ASN 40 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1nsh h ASN 40 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1nsh h ASN 40 CO -0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 1nsh n THR 41 N -3.01 0.00 -0.21 2.81 -2.24 0.84 -4.26 114.28 108.20 1nsh n THR 41 Ca 0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 1nsh n THR 41 Cb 0.37 -0.68 0.13 0.00 -2.10 0.00 0.00 70.33 68.04 1nsh n THR 41 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1nsh h GLU 42 N 0.00 0.29 -0.79 -0.78 4.39 -0.98 -1.84 114.58 114.87 1nsh h GLU 42 Ca 0.00 -0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.13 1nsh h GLU 42 Cb 0.00 -0.07 -0.33 0.00 -0.10 0.00 0.00 28.75 28.25 1nsh h GLU 42 CO 0.00 0.19 -0.06 1.28 -1.16 0.00 0.00 179.01 179.26 1nsh n LEU 43 N -5.10 5.90 0.10 1.33 4.77 -1.18 -4.62 117.00 118.20 1nsh n LEU 43 Ca 0.10 -4.43 -0.05 0.00 -0.03 0.00 0.00 56.01 51.61 1nsh n LEU 43 Cb 0.35 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.83 1nsh n LEU 43 CO 0.17 1.74 0.31 0.00 -1.33 0.00 0.00 177.39 178.28 1nsh h ALA 44 N 1.93 0.65 -0.35 -1.18 0.00 0.08 -3.13 119.26 117.26 1nsh h ALA 44 Ca 0.45 -0.73 0.10 0.00 0.00 0.00 0.00 54.91 54.72 1nsh h ALA 44 Cb 1.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1nsh h ALA 44 CO 1.03 1.00 0.41 0.00 0.00 0.00 0.00 179.25 181.69 1nsh h ALA 45 N 1.17 2.01 -0.39 0.00 0.00 -1.82 1.10 119.26 121.33 1nsh h ALA 45 Ca -0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 1nsh h ALA 45 Cb 1.43 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 1nsh h ALA 45 CO 0.11 -0.59 0.04 1.19 0.00 0.00 0.00 179.25 180.00 1nsh n PHE 46 N -3.63 1.31 -2.48 0.00 3.01 -1.18 -4.57 117.46 109.90 1nsh n PHE 46 Ca 0.06 -1.16 -0.00 0.00 1.01 0.00 0.00 57.45 57.36 1nsh n PHE 46 Cb 0.57 -0.45 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 1nsh n PHE 46 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1nsh n THR 47 N -0.63 0.00 -0.01 4.37 5.66 0.17 -4.62 114.28 119.22 1nsh n THR 47 Ca 0.29 -0.01 -0.01 0.00 -3.05 0.00 0.00 64.05 61.26 1nsh n THR 47 Cb 1.04 0.50 -0.01 0.00 -1.55 0.00 0.00 70.33 70.31 1nsh n THR 47 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1nsh n LYS 48 N -0.02 1.57 -1.05 1.09 -0.00 0.33 -4.85 118.16 115.23 1nsh n LYS 48 Ca -0.00 0.01 -0.06 0.00 -0.00 0.00 0.00 58.31 58.26 1nsh n LYS 48 Cb 0.50 -1.05 -0.05 0.00 -0.00 0.00 0.00 35.03 34.44 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1nsh n ASN 49 N -2.36 -0.88 -4.78 -5.58 3.02 -1.26 -5.09 115.26 98.32 1nsh n ASN 49 Ca -0.04 -1.72 -0.32 0.00 -0.03 0.00 0.00 54.58 52.47 1nsh n ASN 49 Cb 0.55 0.28 0.07 0.00 -0.61 0.00 0.00 39.78 40.07 1nsh n ASN 49 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1nsh s GLN 50 N 0.01 2.61 0.55 3.52 -1.52 -1.26 -4.92 119.66 118.66 1nsh s GLN 50 Ca 0.01 1.17 0.23 0.00 -1.95 0.00 0.00 55.36 54.81 1nsh s GLN 50 Cb 0.03 -1.94 1.47 0.00 -0.22 0.00 0.00 33.01 32.35 1nsh s GLN 50 CO -0.01 -1.37 2.13 -0.22 -0.25 0.00 0.00 175.29 175.58 1nsh h LYS 51 N -0.65 0.00 -4.64 2.91 3.11 -2.00 -3.36 116.57 111.93 1nsh h LYS 51 Ca -0.45 0.00 -0.69 0.00 -2.81 0.00 0.00 60.65 56.70 1nsh h LYS 51 Cb 1.23 0.00 -0.32 0.00 -1.00 0.00 0.00 32.23 32.14 1nsh h LYS 51 CO 0.54 0.00 -0.62 0.34 -2.81 0.00 0.00 179.45 176.90 1nsh s ASP 52 N -6.51 5.13 0.00 4.20 2.15 -1.26 -4.96 116.67 115.43 1nsh s ASP 52 Ca -0.05 -1.51 0.07 0.00 0.43 0.00 0.00 52.55 51.49 1nsh s ASP 52 Cb 0.17 -1.79 0.37 0.00 -0.30 0.00 0.00 42.92 41.36 1nsh s ASP 52 CO 0.63 -0.38 1.25 -0.81 -0.17 0.00 0.00 175.17 175.69 1nsh n PRO 53 N 4.66 1.12 0.00 4.34 -0.04 -1.26 -3.30 135.00 140.52 1nsh n PRO 53 Ca -0.09 -0.18 0.07 0.00 -0.04 0.00 0.00 63.50 63.26 1nsh n PRO 53 Cb 0.43 -1.13 0.02 0.00 -0.04 0.00 0.00 33.50 32.79 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nsh n GLY 54 N 0.67 -0.00 0.25 0.55 0.00 -1.26 -4.54 105.19 100.85 1nsh n GLY 54 Ca 0.06 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1nsh n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1nsh h VAL 55 N 2.14 0.51 0.15 1.61 2.07 -1.89 0.99 116.25 121.83 1nsh h VAL 55 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1nsh h VAL 55 Cb 0.55 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1nsh h VAL 55 CO 0.00 0.00 -0.07 0.25 0.02 0.00 0.00 177.57 177.77 1nsh h LEU 56 N -0.35 -0.17 -2.28 2.57 6.46 -1.82 -2.90 115.31 116.84 1nsh h LEU 56 Ca 0.05 -0.28 0.02 0.00 -0.12 0.00 0.00 57.88 57.55 1nsh h LEU 56 Cb 0.41 0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 40.38 1nsh h LEU 56 CO -0.17 0.21 0.06 -0.78 -0.62 0.00 0.00 178.44 177.13 1nsh h ASP 57 N -0.57 0.00 -0.47 1.25 3.58 -1.77 -1.75 116.42 116.69 1nsh h ASP 57 Ca -0.02 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.38 1nsh h ASP 57 Cb 0.44 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1nsh h ASP 57 CO 0.03 0.00 0.10 0.03 -2.88 0.00 0.00 179.24 176.52 1nsh h ARG 58 N 0.00 0.77 0.32 0.28 2.47 0.12 0.32 114.38 118.66 1nsh h ARG 58 Ca 0.03 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.54 1nsh h ARG 58 Cb 0.15 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1nsh h ARG 58 CO -0.00 0.77 -0.15 0.00 0.56 0.00 0.00 179.97 181.14 1nsh h MET 59 N 0.65 -0.41 -0.03 0.04 -0.00 -1.20 0.87 114.93 114.85 1nsh h MET 59 Ca 0.15 0.03 -0.16 0.00 -0.00 0.00 0.00 59.70 59.72 1nsh h MET 59 Cb 0.35 0.09 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1nsh h MET 59 CO 0.00 -0.25 -0.69 0.52 -0.00 0.00 0.00 176.91 176.50 1nsh h MET 60 N -0.47 0.14 0.01 -0.10 2.86 -1.54 0.72 114.93 116.55 1nsh h MET 60 Ca -0.04 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1nsh h MET 60 Cb 0.36 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.04 1nsh h MET 60 CO 0.07 0.77 -0.01 1.57 1.06 0.00 0.00 176.91 180.38 1nsh h LYS 61 N 0.09 -0.02 -0.03 1.72 5.09 -0.30 -3.23 116.57 119.89 1nsh h LYS 61 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1nsh h LYS 61 Cb 1.23 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.56 1nsh h LYS 61 CO 0.10 0.75 0.00 1.17 -2.09 0.00 0.00 179.45 179.38 1nsh n LYS 62 N -4.69 1.13 -0.51 0.07 0.00 0.30 -4.18 118.16 110.29 1nsh n LYS 62 Ca -0.08 -0.20 0.44 0.00 0.00 0.00 0.00 58.31 58.47 1nsh n LYS 62 Cb 0.38 -1.31 0.79 0.00 0.00 0.00 0.00 35.03 34.88 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1nsh h LEU 63 N 0.40 0.00 -0.49 3.14 -0.00 0.45 -3.44 115.31 115.37 1nsh h LEU 63 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.58 1nsh h LEU 63 Cb 0.09 0.00 -0.18 0.00 -0.00 0.00 0.00 40.66 40.56 1nsh h LEU 63 CO 0.00 -0.00 -0.43 -0.67 -0.00 0.00 0.00 178.44 177.34 1nsh n ASP 64 N -4.07 -1.01 -0.71 0.17 2.03 -1.26 -4.51 116.55 107.19 1nsh n ASP 64 Ca 0.35 -0.52 -0.03 0.00 0.52 0.00 0.00 54.79 55.10 1nsh n ASP 64 Cb 1.61 -0.90 -0.03 0.00 -0.72 0.00 0.00 41.12 41.08 1nsh n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nsh n LEU 65 N -2.43 -0.42 0.00 -2.67 -0.00 -1.26 -5.14 117.00 105.08 1nsh n LEU 65 Ca 0.06 -1.42 -0.12 0.00 -0.00 0.00 0.00 56.01 54.53 1nsh n LEU 65 Cb 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 43.42 43.82 1nsh n LEU 65 CO 0.46 1.21 0.14 -0.46 -0.00 0.00 0.00 177.39 178.74 1nsh n ASN 66 N 0.00 -2.73 -3.65 1.45 0.23 -1.26 -5.01 115.26 104.29 1nsh n ASN 66 Ca -0.12 -0.38 -0.01 0.00 -0.53 0.00 0.00 54.58 53.54 1nsh n ASN 66 Cb 0.59 -0.39 -0.07 0.00 -2.08 0.00 0.00 39.78 37.83 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1nsh s SER 67 N -2.45 -0.13 0.62 0.53 0.01 -1.26 -5.01 113.70 106.01 1nsh s SER 67 Ca 0.26 0.23 0.31 0.00 1.31 0.00 0.00 55.95 58.07 1nsh s SER 67 Cb -0.04 0.70 1.75 0.00 0.21 0.00 0.00 66.02 68.63 1nsh s SER 67 CO 0.22 -0.04 2.07 -0.78 0.41 0.00 0.00 173.24 175.13 1nsh h ASP 68 N 4.44 0.00 0.00 2.44 3.58 -2.00 -3.30 116.42 121.58 1nsh h ASP 68 Ca -0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.18 1nsh h ASP 68 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1nsh h ASP 68 CO 0.20 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 1nsh n GLY 69 N -1.32 0.06 0.04 -0.78 0.00 -1.26 -5.08 105.19 96.84 1nsh n GLY 69 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 1nsh n GLY 69 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1nsh n GLN 70 N 0.00 0.01 0.00 1.61 1.13 -1.25 -5.10 117.38 113.78 1nsh n GLN 70 Ca 0.00 -0.03 0.00 0.00 -1.94 0.00 0.00 57.00 55.03 1nsh n GLN 70 Cb 0.00 0.03 0.00 0.00 0.11 0.00 0.00 30.24 30.38 1nsh n GLN 70 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nsh n LEU 71 N 0.00 0.00 0.00 1.08 7.99 -1.25 -4.53 117.00 120.29 1nsh n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nsh n LEU 71 Cb 0.01 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.32 1nsh n LEU 71 CO 0.00 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.21 1nsh n ASP 72 N 0.00 0.00 0.04 -1.43 -0.08 -1.26 -4.72 116.55 109.09 1nsh n ASP 72 Ca 0.00 0.00 -0.14 0.00 -1.51 0.00 0.00 54.79 53.14 1nsh n ASP 72 Cb 0.00 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.38 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 0.12 0.00 0.00 177.20 179.51 1nsh h PHE 73 N 0.00 -1.40 0.00 -0.67 -0.00 -1.97 -2.60 116.94 110.31 1nsh h PHE 73 Ca 0.00 0.05 -0.17 0.00 -0.00 0.00 0.00 57.97 57.85 1nsh h PHE 73 Cb 0.00 0.62 -0.02 0.00 -0.00 0.00 0.00 35.95 36.54 1nsh h PHE 73 CO 0.00 -0.53 -0.79 0.37 -0.00 0.00 0.00 178.31 177.36 1nsh h GLN 74 N -0.61 0.00 -0.77 6.09 5.75 -1.96 -3.25 115.11 120.36 1nsh h GLN 74 Ca 0.04 0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.70 1nsh h GLN 74 Cb 0.69 0.00 -0.14 0.00 1.07 0.00 0.00 27.48 29.09 1nsh h GLN 74 CO -0.36 0.79 -0.13 0.93 -2.65 0.00 0.00 178.83 177.41 1nsh h GLU 75 N 0.00 0.03 0.38 1.69 5.08 -1.83 1.97 114.58 121.90 1nsh h GLU 75 Ca -0.01 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1nsh h GLU 75 Cb 1.45 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1nsh h GLU 75 CO 0.10 0.02 -0.18 0.74 -1.00 0.00 0.00 179.01 178.69 1nsh h PHE 76 N 0.03 -0.47 -0.77 4.33 0.04 -1.56 0.68 116.94 119.22 1nsh h PHE 76 Ca 0.39 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.31 1nsh h PHE 76 Cb 0.64 0.16 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 1nsh h PHE 76 CO -0.55 -0.17 0.52 -0.07 -0.60 0.00 0.00 178.31 177.44 1nsh h LEU 77 N -0.75 0.36 -0.32 1.54 3.38 -1.10 0.96 115.31 119.37 1nsh h LEU 77 Ca -0.05 0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 1nsh h LEU 77 Cb 0.51 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1nsh h LEU 77 CO 0.09 0.18 -0.85 -1.13 0.09 0.00 0.00 178.44 176.81 1nsh h ASN 78 N 0.38 0.15 0.39 -0.43 -1.24 0.33 0.99 115.58 116.16 1nsh h ASN 78 Ca 0.38 -0.13 -0.02 0.00 0.71 0.00 0.00 56.30 57.25 1nsh h ASN 78 Cb 0.93 -0.05 0.00 0.00 0.73 0.00 0.00 38.32 39.94 1nsh h ASN 78 CO -0.12 0.93 -0.19 -0.07 -1.29 0.00 0.00 177.43 176.70 1nsh h LEU 79 N 0.06 -0.44 -0.13 0.34 3.38 0.69 -1.10 115.31 118.11 1nsh h LEU 79 Ca -0.03 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.69 1nsh h LEU 79 Cb 1.48 0.11 0.01 0.00 0.09 0.00 0.00 40.66 42.35 1nsh h LEU 79 CO 0.12 -0.01 -0.54 -0.29 0.09 0.00 0.00 178.44 177.81 1nsh h ILE 80 N -1.04 1.34 -0.32 1.22 -0.00 0.06 -3.07 117.51 115.71 1nsh h ILE 80 Ca -0.05 -1.83 0.07 0.00 -0.00 0.00 0.00 64.86 63.04 1nsh h ILE 80 Cb 0.51 2.11 -0.07 0.00 -0.00 0.00 0.00 36.82 39.37 1nsh h ILE 80 CO 0.09 0.56 -0.12 1.23 -0.00 0.00 0.00 178.15 179.91 1nsh h GLY 81 N 0.22 0.16 0.36 8.18 0.00 0.92 0.12 103.07 113.03 1nsh h GLY 81 Ca -0.03 0.16 0.18 0.00 0.00 0.00 0.00 47.33 47.63 1nsh h GLY 81 CO 0.11 -0.15 0.59 -1.33 0.00 0.00 0.00 176.54 175.76 1nsh h GLY 82 N -0.06 1.16 0.92 4.60 0.00 -1.22 -0.30 103.07 108.17 1nsh h GLY 82 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1nsh h GLY 82 CO -0.36 0.02 0.12 1.41 0.00 0.00 0.00 176.54 177.73 1nsh h LEU 83 N 0.58 0.47 -1.80 3.11 3.38 -0.70 -0.09 115.31 120.25 1nsh h LEU 83 Ca 0.48 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.40 1nsh h LEU 83 Cb 0.95 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1nsh h LEU 83 CO -0.22 0.53 0.42 0.00 0.09 0.00 0.00 178.44 179.25 1nsh h ALA 84 N 0.96 2.28 0.00 1.53 0.00 -0.05 1.42 119.26 125.40 1nsh h ALA 84 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nsh h ALA 84 Cb 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nsh h ALA 84 CO -0.01 -0.44 -0.48 0.28 0.00 0.00 0.00 179.25 178.60 1nsh h VAL 85 N 0.21 0.00 -0.18 0.00 2.07 -0.92 0.23 116.25 117.66 1nsh h VAL 85 Ca 0.29 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1nsh h VAL 85 Cb 0.86 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1nsh h VAL 85 CO -0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1nsh n ALA 86 N -1.99 2.31 0.00 1.67 0.00 0.12 -2.64 120.51 119.98 1nsh n ALA 86 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1nsh n ALA 86 Cb 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh s HIS 88 N -1.23 3.39 -0.31 0.00 5.04 0.79 -4.96 115.29 118.01 1nsh s HIS 88 Ca 0.00 1.08 -0.34 0.00 -1.54 0.00 0.00 55.06 54.26 1nsh s HIS 88 Cb 0.00 -2.43 -0.10 0.00 0.04 0.00 0.00 32.58 30.09 1nsh s HIS 88 CO 0.00 0.15 2.18 -1.91 -2.34 0.00 0.00 174.74 172.82 1nsh n GLU 89 N -0.32 1.27 0.01 2.88 2.13 -1.26 -4.11 120.64 121.24 1nsh n GLU 89 Ca 0.02 0.35 0.00 0.00 0.66 0.00 0.00 57.16 58.20 1nsh n GLU 89 Cb 0.53 -2.60 0.00 0.00 0.27 0.00 0.00 31.44 29.64 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1nsh n SER 90 N 10.01 -0.17 -0.03 4.31 7.64 -1.26 -4.98 113.62 129.14 1nsh n SER 90 Ca 0.38 0.37 -0.03 0.00 1.01 0.00 0.00 58.87 60.61 1nsh n SER 90 Cb 0.27 0.50 -0.04 0.00 -1.01 0.00 0.00 64.21 63.93 1nsh n SER 90 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1nsh n PHE 91 N -2.60 0.00 -1.49 1.43 3.01 -1.24 -4.99 117.46 111.57 1nsh n PHE 91 Ca 0.00 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 57.99 1nsh n PHE 91 Cb 0.00 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.20 1nsh n PHE 91 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1nsh n VAL 92 N -2.33 1.80 -3.41 -4.37 0.31 -1.08 -1.24 118.33 108.02 1nsh n VAL 92 Ca -0.09 -0.45 -0.20 0.00 -0.01 0.00 0.00 64.34 63.59 1nsh n VAL 92 Cb 0.65 -0.45 0.07 0.00 -0.91 0.00 0.00 33.84 33.19 1nsh n VAL 92 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1nsh n LYS 93 N 0.99 -6.65 0.00 5.55 4.76 -1.26 -4.71 118.16 116.84 1nsh n LYS 93 Ca 0.15 0.70 0.00 0.00 -2.87 0.00 0.00 58.31 56.28 1nsh n LYS 93 Cb 0.27 -5.34 0.00 0.00 -1.84 0.00 0.00 35.03 28.11 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nsh n ALA 94 N -4.58 0.00 -0.05 7.82 0.00 -0.63 -4.99 120.51 118.09 1nsh n ALA 94 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 1nsh n ALA 94 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.91 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh h ALA 95 N 0.00 -0.03 -0.53 0.00 0.00 -1.45 -3.14 119.26 114.11 1nsh h ALA 95 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.68 1nsh h ALA 95 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 1nsh h ALA 95 CO 0.00 -0.04 0.06 -1.35 0.00 0.00 0.00 179.25 177.92 1nsh h PRO 96 N -0.97 0.18 0.00 0.00 0.11 -1.95 -1.12 132.00 128.26 1nsh h PRO 96 Ca -0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1nsh h PRO 96 Cb 0.66 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1nsh h PRO 96 CO 0.00 0.12 -0.11 -1.00 -0.21 0.00 0.00 178.00 176.81 1nsh h PRO 97 N 0.19 0.00 -6.24 1.05 0.13 -1.95 -3.43 132.00 121.75 1nsh h PRO 97 Ca 0.27 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.83 1nsh h PRO 97 Cb 0.40 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 1nsh h PRO 97 CO -0.39 0.11 0.96 -1.14 -0.23 0.00 0.00 178.00 177.30 1nsh s GLN 98 N -3.76 4.07 0.00 0.86 0.74 -0.43 -4.43 119.66 116.71 1nsh s GLN 98 Ca 0.00 1.53 0.00 0.00 0.05 0.00 0.00 55.36 56.94 1nsh s GLN 98 Cb 0.10 -3.84 0.00 0.00 1.10 0.00 0.00 33.01 30.37 1nsh s GLN 98 CO 0.58 -0.93 0.00 0.36 -0.55 0.00 0.00 175.29 174.75 1nsh n LYS 99 N 7.00 0.00 0.01 1.67 2.85 -1.26 -4.96 118.16 123.47 1nsh n LYS 99 Ca 0.15 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.41 1nsh n LYS 99 Cb 0.45 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.83 1nsh n LYS 99 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1nsh n ARG 100 N -2.11 0.00 0.00 -1.58 0.63 -1.26 -5.28 116.66 107.06 1nsh n ARG 100 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 1nsh n ARG 100 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46