#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 4.33 3.00 -1.26 -4.97 116.66 117.76 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 -2.03 0.86 -1.84 -0.14 -0.02 -1.26 -4.57 135.00 126.01 1nsh n PRO 3 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 1nsh n PRO 3 Cb 0.00 -1.41 0.02 0.00 -0.02 0.00 0.00 33.50 32.09 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1nsh s THR 4 N -1.06 2.17 0.32 3.45 -1.32 -1.26 -4.75 115.64 113.20 1nsh s THR 4 Ca 0.00 0.15 0.10 0.00 -1.21 0.00 0.00 61.69 60.73 1nsh s THR 4 Cb 0.00 -3.09 0.33 0.00 -1.51 0.00 0.00 72.50 68.23 1nsh s THR 4 CO 0.00 0.02 1.65 -0.08 -2.21 0.00 0.00 174.62 173.99 1nsh h GLU 5 N 2.20 0.24 -0.20 7.08 4.81 -1.99 0.51 114.58 127.23 1nsh h GLU 5 Ca -0.51 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 58.54 1nsh h GLU 5 Cb 1.27 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.60 1nsh h GLU 5 CO 0.61 0.16 -0.53 1.15 -0.73 0.00 0.00 179.01 179.66 1nsh h THR 6 N 0.25 1.31 -0.65 0.32 2.02 -1.95 -1.19 112.91 113.01 1nsh h THR 6 Ca 0.67 -1.76 0.12 0.00 0.77 0.00 0.00 66.41 66.21 1nsh h THR 6 Cb 1.48 1.89 -0.09 0.00 -1.74 0.00 0.00 68.15 69.69 1nsh h THR 6 CO -0.65 0.55 0.20 -0.33 0.37 0.00 0.00 175.52 175.66 1nsh h GLU 7 N 0.41 0.33 0.00 6.66 4.39 -0.31 0.32 114.58 126.39 1nsh h GLU 7 Ca -0.01 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 1nsh h GLU 7 Cb 1.15 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 1nsh h GLU 7 CO 0.11 0.22 -0.45 0.00 -1.16 0.00 0.00 179.01 177.73 1nsh h ARG 8 N 0.34 0.00 -0.64 2.33 3.08 -1.09 -3.02 114.38 115.38 1nsh h ARG 8 Ca 0.35 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.33 1nsh h ARG 8 Cb 0.51 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1nsh h ARG 8 CO -0.39 0.45 0.16 0.00 -1.07 0.00 0.00 179.97 179.12 1nsh h ILE 10 N 0.94 1.35 -0.60 0.00 5.03 -1.18 -3.08 117.51 119.98 1nsh h ILE 10 Ca 0.20 -1.50 0.17 0.00 -0.12 0.00 0.00 64.86 63.61 1nsh h ILE 10 Cb 0.36 2.31 -0.02 0.00 -3.03 0.00 0.00 36.82 36.43 1nsh h ILE 10 CO 0.00 0.37 0.54 -0.08 -0.68 0.00 0.00 178.15 178.30 1nsh h GLU 11 N -0.75 0.00 0.10 2.37 4.81 -1.57 -1.42 114.58 118.12 1nsh h GLU 11 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1nsh h GLU 11 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1nsh h GLU 11 CO 0.01 0.00 -0.05 1.03 -0.73 0.00 0.00 179.01 179.27 1nsh h SER 12 N 0.00 -0.11 -0.09 1.04 0.87 -1.53 -3.11 113.55 110.62 1nsh h SER 12 Ca 0.28 -0.35 0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1nsh h SER 12 Cb 1.36 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 63.34 1nsh h SER 12 CO -0.00 0.52 0.08 -0.07 -0.53 0.00 0.00 176.83 176.82 1nsh h LEU 13 N -0.96 0.00 -0.32 2.23 -0.00 -1.29 -0.84 115.31 114.12 1nsh h LEU 13 Ca -0.01 0.00 -0.14 0.00 -0.00 0.00 0.00 57.88 57.73 1nsh h LEU 13 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.11 1nsh h LEU 13 CO 0.02 0.00 -0.34 0.40 -0.00 0.00 0.00 178.44 178.52 1nsh h ILE 14 N 0.00 1.29 -0.10 1.22 2.04 -1.38 -3.24 117.51 117.34 1nsh h ILE 14 Ca 0.04 -1.52 -0.22 0.00 1.00 0.00 0.00 64.86 64.17 1nsh h ILE 14 Cb 0.19 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1nsh h ILE 14 CO -0.00 0.49 -0.81 0.00 0.00 0.00 0.00 178.15 177.83 1nsh h ALA 15 N 0.72 0.39 -0.93 1.87 0.00 -1.17 -1.71 119.26 118.43 1nsh h ALA 15 Ca 0.05 -0.63 0.18 0.00 0.00 0.00 0.00 54.91 54.51 1nsh h ALA 15 Cb 0.93 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1nsh h ALA 15 CO 0.08 0.73 0.60 -0.39 0.00 0.00 0.00 179.25 180.27 1nsh h VAL 16 N 0.40 0.74 0.00 0.00 -1.51 -1.25 0.57 116.25 115.20 1nsh h VAL 16 Ca -0.06 -0.21 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1nsh h VAL 16 Cb 1.43 0.09 -0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1nsh h VAL 16 CO 0.15 0.11 -0.04 0.15 -1.23 0.00 0.00 177.57 176.72 1nsh h PHE 17 N 0.60 0.00 0.00 5.19 3.57 -1.56 -3.38 116.94 121.36 1nsh h PHE 17 Ca 0.49 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.94 1nsh h PHE 17 Cb 0.95 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1nsh h PHE 17 CO -0.00 0.30 -0.24 -0.56 -2.23 0.00 0.00 178.31 175.58 1nsh h GLN 18 N -1.00 0.00 -0.08 1.11 -0.00 -1.11 -0.93 115.11 113.10 1nsh h GLN 18 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1nsh h GLN 18 Cb 0.32 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.76 1nsh h GLN 18 CO -0.00 0.24 -0.16 -0.22 -0.00 0.00 0.00 178.83 178.68 1nsh h LYS 19 N 0.00 -0.22 0.21 0.06 1.63 -0.03 1.13 116.57 119.36 1nsh h LYS 19 Ca -0.00 0.01 -0.32 0.00 -0.85 0.00 0.00 60.65 59.49 1nsh h LYS 19 Cb 0.71 0.05 0.03 0.00 -0.60 0.00 0.00 32.23 32.42 1nsh h LYS 19 CO 0.03 -0.14 -1.44 1.88 -3.45 0.00 0.00 179.45 176.33 1nsh h TYR 20 N -0.22 0.82 -0.06 1.91 -1.99 -1.73 -3.26 116.97 112.44 1nsh h TYR 20 Ca 0.08 -0.60 0.02 0.00 2.00 0.00 0.00 58.73 60.22 1nsh h TYR 20 Cb 0.33 -0.03 -0.00 0.00 2.00 0.00 0.00 36.73 39.03 1nsh h TYR 20 CO -0.25 1.49 0.05 0.00 -0.00 0.00 0.00 178.16 179.46 1nsh h ALA 21 N 0.28 1.73 -3.00 3.88 0.00 -0.85 -3.40 119.26 117.89 1nsh h ALA 21 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nsh h ALA 21 Cb 2.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.91 1nsh h ALA 21 CO 0.25 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1nsh n GLY 22 N -1.40 0.11 2.83 0.00 0.00 0.39 -4.64 105.19 102.48 1nsh n GLY 22 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.46 -3.17 1.61 4.81 -1.23 -3.65 118.16 115.07 1nsh n LYS 23 Ca 0.00 1.56 -0.21 0.00 -0.87 0.00 0.00 58.31 58.79 1nsh n LYS 23 Cb 0.00 -5.28 0.05 0.00 0.02 0.00 0.00 35.03 29.82 1nsh n LYS 23 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1nsh n ASP 24 N -1.27 -5.77 -3.15 3.14 2.03 -1.26 -4.97 116.55 105.30 1nsh n ASP 24 Ca 0.03 -0.35 0.05 0.00 0.52 0.00 0.00 54.79 55.04 1nsh n ASP 24 Cb 0.47 -4.50 -0.01 0.00 -0.72 0.00 0.00 41.12 36.36 1nsh n ASP 24 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1nsh s GLY 25 N -2.97 -0.86 0.29 0.27 0.00 -1.24 -5.15 107.32 97.66 1nsh s GLY 25 Ca 0.38 2.01 -0.29 0.00 0.00 0.00 0.00 44.72 46.82 1nsh s GLY 25 CO 0.47 3.82 1.20 -1.58 0.00 0.00 0.00 173.10 177.01 1nsh s HIS 26 N 2.91 3.33 -0.10 1.90 2.46 -1.26 -4.22 115.29 120.32 1nsh s HIS 26 Ca 0.14 1.54 -0.33 0.00 0.47 0.00 0.00 55.06 56.89 1nsh s HIS 26 Cb -0.08 -3.47 0.13 0.00 -0.13 0.00 0.00 32.58 29.03 1nsh s HIS 26 CO -0.20 -1.20 1.26 -1.54 -2.47 0.00 0.00 174.74 170.60 1nsh s SER 27 N -0.60 -0.08 -0.40 9.88 1.04 -1.26 -5.03 113.70 117.24 1nsh s SER 27 Ca 0.47 -0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.88 1nsh s SER 27 Cb -0.35 0.15 0.55 0.00 0.10 0.00 0.00 66.02 66.46 1nsh s SER 27 CO 0.46 -0.26 1.68 1.33 0.98 0.00 0.00 173.24 177.43 1nsh n VAL 28 N -0.31 2.92 -3.80 5.02 0.24 -1.26 -4.93 118.33 116.20 1nsh n VAL 28 Ca -0.04 -2.60 -0.10 0.00 -2.04 0.00 0.00 64.34 59.56 1nsh n VAL 28 Cb 0.61 -0.54 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 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 -1.08 0.00 0.00 3.34 -2.24 -1.26 -4.27 114.28 108.77 1nsh n THR 29 Ca 0.47 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1nsh n THR 29 Cb 1.21 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 70.32 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 -3.65 3.22 0.00 -1.26 -4.52 117.00 110.79 1nsh n LEU 30 Ca -0.04 0.00 0.01 0.00 0.00 0.00 0.00 56.01 55.97 1nsh n LEU 30 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.86 1nsh n LEU 30 CO 0.24 0.00 0.90 -0.55 0.00 0.00 0.00 177.39 177.98 1nsh s SER 31 N 1.00 -0.20 0.29 1.96 0.15 -1.26 -3.20 113.70 112.44 1nsh s SER 31 Ca 0.00 0.33 0.05 0.00 0.70 0.00 0.00 55.95 57.02 1nsh s SER 31 Cb 0.00 1.06 0.73 0.00 -1.71 0.00 0.00 66.02 66.10 1nsh s SER 31 CO 0.00 -0.05 1.73 0.07 1.20 0.00 0.00 173.24 176.19 1nsh h LYS 32 N 5.37 0.55 0.03 5.44 2.10 -1.98 0.17 116.57 128.25 1nsh h LYS 32 Ca -0.27 -0.03 -0.00 0.00 -2.00 0.00 0.00 60.65 58.35 1nsh h LYS 32 Cb 1.17 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.37 1nsh h LYS 32 CO 0.22 0.36 -0.02 1.15 -2.00 0.00 0.00 179.45 179.17 1nsh h THR 33 N 0.57 1.04 -0.78 0.07 2.02 -1.98 0.85 112.91 114.70 1nsh h THR 33 Ca 0.57 -0.23 0.06 0.00 0.77 0.00 0.00 66.41 67.58 1nsh h THR 33 Cb 0.99 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1nsh h THR 33 CO -0.45 0.06 0.51 -0.33 0.37 0.00 0.00 175.52 175.68 1nsh h GLU 34 N -0.14 0.84 -0.02 6.66 5.08 -1.39 0.21 114.58 125.82 1nsh h GLU 34 Ca -0.00 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.16 1nsh h GLU 34 Cb 0.13 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1nsh h GLU 34 CO 0.01 0.56 -0.68 0.35 -1.00 0.00 0.00 179.01 178.24 1nsh h PHE 35 N 0.87 0.11 0.83 4.33 3.04 -0.25 -2.34 116.94 123.53 1nsh h PHE 35 Ca 0.33 -0.05 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 1nsh h PHE 35 Cb 0.20 -0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.69 1nsh h PHE 35 CO -0.00 0.74 -0.47 -0.07 -2.02 0.00 0.00 178.31 176.49 1nsh h LEU 36 N 0.06 -1.15 -2.17 0.59 3.38 0.38 -2.22 115.31 114.18 1nsh h LEU 36 Ca -0.01 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nsh h LEU 36 Cb 1.21 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 42.28 1nsh h LEU 36 CO 0.09 -0.74 -0.04 0.77 0.09 0.00 0.00 178.44 178.61 1nsh h SER 37 N -1.20 0.00 -0.77 -0.43 4.64 -1.24 -2.18 113.55 112.36 1nsh h SER 37 Ca -0.11 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.25 1nsh h SER 37 Cb 0.95 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.99 1nsh h SER 37 CO 0.14 0.04 0.48 0.15 -0.87 0.00 0.00 176.83 176.77 1nsh h PHE 38 N 0.00 0.89 -0.23 4.77 3.04 -0.83 0.32 116.94 124.91 1nsh h PHE 38 Ca -0.00 0.03 -0.12 0.00 3.98 0.00 0.00 57.97 61.85 1nsh h PHE 38 Cb 0.09 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.30 1nsh h PHE 38 CO 0.00 0.49 -0.38 0.52 -2.02 0.00 0.00 178.31 176.91 1nsh h MET 39 N 0.91 0.51 0.00 1.11 0.00 -1.09 0.58 114.93 116.95 1nsh h MET 39 Ca 0.32 -0.25 0.00 0.00 0.00 0.00 0.00 59.70 59.78 1nsh h MET 39 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.68 1nsh h MET 39 CO -0.14 0.81 0.00 -0.91 0.00 0.00 0.00 176.91 176.68 1nsh h ASN 40 N 0.43 0.00 0.00 1.22 2.35 -1.22 1.23 115.58 119.58 1nsh h ASN 40 Ca 0.04 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.61 1nsh h ASN 40 Cb 0.86 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.19 1nsh h ASN 40 CO 0.07 0.00 -1.70 1.07 -1.65 0.00 0.00 177.43 175.22 1nsh n THR 41 N -2.97 0.70 0.00 2.81 5.66 0.01 -4.79 114.28 115.71 1nsh n THR 41 Ca 0.02 -0.31 0.00 0.00 -3.05 0.00 0.00 64.05 60.71 1nsh n THR 41 Cb 0.37 -0.89 0.00 0.00 -1.55 0.00 0.00 70.33 68.26 1nsh n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nsh n GLU 42 N -2.73 2.39 -1.97 1.09 -0.58 0.19 -4.80 120.64 114.24 1nsh n GLU 42 Ca -0.20 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.24 1nsh n GLU 42 Cb 0.76 -0.80 0.03 0.00 -0.57 0.00 0.00 31.44 30.86 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nsh n LEU 43 N -1.24 5.95 0.14 -4.62 4.77 -0.17 -4.64 117.00 117.19 1nsh n LEU 43 Ca 0.00 -4.78 0.02 0.00 -0.03 0.00 0.00 56.01 51.22 1nsh n LEU 43 Cb 0.21 -0.64 0.07 0.00 -2.33 0.00 0.00 43.42 40.72 1nsh n LEU 43 CO 0.00 1.94 0.48 0.00 -1.33 0.00 0.00 177.39 178.48 1nsh h ALA 44 N 2.38 0.70 0.00 -1.18 0.00 0.13 -3.12 119.26 118.17 1nsh h ALA 44 Ca 0.44 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nsh h ALA 44 Cb 0.96 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1nsh h ALA 44 CO 1.09 0.66 -0.02 0.00 0.00 0.00 0.00 179.25 180.97 1nsh h ALA 45 N 1.47 1.30 0.04 0.00 0.00 -1.82 0.99 119.26 121.25 1nsh h ALA 45 Ca -0.01 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.60 1nsh h ALA 45 Cb 1.34 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 1nsh h ALA 45 CO 0.07 0.03 -1.51 0.74 0.00 0.00 0.00 179.25 178.58 1nsh h PHE 46 N 0.00 0.16 0.07 0.00 -1.00 -1.89 -3.32 116.94 110.97 1nsh h PHE 46 Ca -0.00 -0.12 -0.30 0.00 2.81 0.00 0.00 57.97 60.36 1nsh h PHE 46 Cb 0.09 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.62 1nsh h PHE 46 CO 0.00 1.16 -1.58 1.79 -1.61 0.00 0.00 178.31 178.08 1nsh h THR 47 N 0.02 1.07 0.00 -1.55 1.35 -1.29 -3.31 112.91 109.21 1nsh h THR 47 Ca -0.22 -2.78 0.00 0.00 -0.55 0.00 0.00 66.41 62.86 1nsh h THR 47 Cb 1.96 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 71.03 1nsh h THR 47 CO 0.12 0.76 0.00 0.29 -0.25 0.00 0.00 175.52 176.43 1nsh n LYS 48 N -3.34 0.00 -1.55 4.72 5.02 0.33 -3.49 118.16 119.86 1nsh n LYS 48 Ca -0.17 0.10 -0.32 0.00 -2.02 0.00 0.00 58.31 55.91 1nsh n LYS 48 Cb 1.03 -1.08 -0.05 0.00 -0.02 0.00 0.00 35.03 34.92 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nsh n ASN 49 N -0.76 7.37 0.06 4.39 4.13 -1.25 -4.66 115.26 124.54 1nsh n ASN 49 Ca 0.00 -2.91 -0.12 0.00 1.68 0.00 0.00 54.58 53.22 1nsh n ASN 49 Cb 0.00 -1.39 -0.07 0.00 -1.54 0.00 0.00 39.78 36.79 1nsh n ASN 49 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 1nsh h GLN 50 N 4.04 -0.06 -2.12 3.52 1.08 -1.65 -3.46 115.11 116.46 1nsh h GLN 50 Ca 0.58 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.44 1nsh h GLN 50 Cb 0.60 0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.96 1nsh h GLN 50 CO 1.19 -0.04 -0.37 1.17 -0.95 0.00 0.00 178.83 179.83 1nsh n LYS 51 N -5.13 -1.61 -3.26 1.46 4.81 -1.26 -4.88 118.16 108.30 1nsh n LYS 51 Ca -0.07 0.93 0.03 0.00 -0.87 0.00 0.00 58.31 58.33 1nsh n LYS 51 Cb 0.06 -5.39 -0.04 0.00 0.02 0.00 0.00 35.03 29.68 1nsh n LYS 51 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1nsh s ASP 52 N -2.28 -0.16 -0.02 3.14 1.01 -1.26 -5.03 116.67 112.08 1nsh s ASP 52 Ca 0.00 0.22 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1nsh s ASP 52 Cb 0.00 1.17 0.12 0.00 1.01 0.00 0.00 42.92 45.22 1nsh s ASP 52 CO 0.00 -0.03 0.85 -0.81 0.21 0.00 0.00 175.17 175.39 1nsh n PRO 53 N 4.50 1.48 -0.04 8.23 -0.04 -1.26 -3.42 135.00 144.45 1nsh n PRO 53 Ca -0.08 -0.47 0.01 0.00 -0.04 0.00 0.00 63.50 62.93 1nsh n PRO 53 Cb 0.55 -1.41 0.03 0.00 -0.04 0.00 0.00 33.50 32.64 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 0.33 2.88 0.03 0.55 0.00 -1.26 -4.44 105.19 103.29 1nsh n GLY 54 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 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 0.43 0.00 0.03 1.61 2.07 -1.86 -3.30 116.25 115.22 1nsh h VAL 55 Ca 0.00 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1nsh h VAL 55 Cb 0.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1nsh h VAL 55 CO 0.00 0.00 -0.01 0.25 0.02 0.00 0.00 177.57 177.83 1nsh h LEU 56 N -0.54 -0.03 -1.43 2.57 5.85 -1.86 -3.33 115.31 116.54 1nsh h LEU 56 Ca 0.00 -0.71 0.01 0.00 0.84 0.00 0.00 57.88 58.02 1nsh h LEU 56 Cb 0.12 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1nsh h LEU 56 CO 0.00 0.76 0.39 -0.78 -0.34 0.00 0.00 178.44 178.47 1nsh h ASP 57 N -0.88 0.66 0.16 1.25 3.58 -1.83 -1.50 116.42 117.86 1nsh h ASP 57 Ca -0.00 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1nsh h ASP 57 Cb 0.73 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1nsh h ASP 57 CO 0.01 0.48 -0.13 -0.09 -2.88 0.00 0.00 179.24 176.63 1nsh h ARG 58 N 0.78 -0.28 0.10 0.28 9.65 -1.69 -1.67 114.38 121.55 1nsh h ARG 58 Ca 0.22 0.02 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1nsh h ARG 58 Cb -0.07 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 1nsh h ARG 58 CO -0.05 -0.19 -0.05 1.98 2.80 0.00 0.00 179.97 184.46 1nsh h MET 59 N -0.30 -0.13 -0.67 0.20 4.05 -1.64 -2.74 114.93 113.70 1nsh h MET 59 Ca -0.01 0.01 0.20 0.00 -0.28 0.00 0.00 59.70 59.62 1nsh h MET 59 Cb 0.27 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.07 1nsh h MET 59 CO -0.01 0.36 0.49 0.52 0.23 0.00 0.00 176.91 178.50 1nsh h MET 60 N -0.90 0.00 0.06 0.39 2.86 -1.36 1.52 114.93 117.49 1nsh h MET 60 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1nsh h MET 60 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1nsh h MET 60 CO 0.02 0.00 -0.03 -0.22 1.06 0.00 0.00 176.91 177.75 1nsh h LYS 61 N 0.00 -0.07 -0.01 1.72 1.63 -1.38 -3.34 116.57 115.12 1nsh h LYS 61 Ca 0.32 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1nsh h LYS 61 Cb 1.30 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1nsh h LYS 61 CO -0.00 -0.05 0.00 1.17 -3.45 0.00 0.00 179.45 177.12 1nsh n LYS 62 N -4.50 1.03 0.13 1.90 0.00 -1.03 -4.16 118.16 111.53 1nsh n LYS 62 Ca -0.01 -0.05 0.17 0.00 0.00 0.00 0.00 58.31 58.41 1nsh n LYS 62 Cb 0.03 -1.20 0.53 0.00 0.00 0.00 0.00 35.03 34.39 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 0.10 0.00 -2.22 3.14 -0.00 0.20 -3.45 115.31 113.08 1nsh h LEU 63 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1nsh h LEU 63 Cb 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.71 1nsh h LEU 63 CO 0.00 0.00 -0.13 -0.67 -0.00 0.00 0.00 178.44 177.64 1nsh n ASP 64 N -3.12 -2.23 -3.03 0.17 2.03 -1.26 -5.01 116.55 104.10 1nsh n ASP 64 Ca 0.07 -0.11 -0.28 0.00 0.52 0.00 0.00 54.79 54.99 1nsh n ASP 64 Cb 0.86 -1.28 -0.04 0.00 -0.72 0.00 0.00 41.12 39.94 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nsh n LEU 65 N -1.60 4.69 -2.94 -2.67 7.99 -1.26 -4.93 117.00 116.28 1nsh n LEU 65 Ca -0.04 -5.65 -0.31 0.00 -0.01 0.00 0.00 56.01 50.00 1nsh n LEU 65 Cb 0.53 -0.62 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 1nsh n LEU 65 CO 0.10 2.31 2.81 -3.20 -1.51 0.00 0.00 177.39 177.91 1nsh n ASN 66 N -0.16 7.71 -2.43 -1.43 5.15 -1.26 -4.62 115.26 118.23 1nsh n ASN 66 Ca 0.32 -2.60 -0.07 0.00 -0.60 0.00 0.00 54.58 51.64 1nsh n ASN 66 Cb 0.38 -1.50 -0.00 0.00 -0.53 0.00 0.00 39.78 38.13 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1nsh n SER 67 N 3.09 -2.55 -1.93 1.20 7.64 -1.26 -4.77 113.62 115.04 1nsh n SER 67 Ca 0.67 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.75 1nsh n SER 67 Cb 0.43 -2.25 0.20 0.00 -1.01 0.00 0.00 64.21 61.58 1nsh n SER 67 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1nsh n ASP 68 N -1.60 3.97 0.00 6.43 9.92 -1.26 -4.95 116.55 129.05 1nsh n ASP 68 Ca -0.08 -3.19 0.00 0.00 -0.53 0.00 0.00 54.79 50.99 1nsh n ASP 68 Cb 0.55 -0.75 0.00 0.00 -0.64 0.00 0.00 41.12 40.28 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1nsh n GLY 69 N -0.51 0.77 0.00 0.44 0.00 -1.26 -5.11 105.19 99.52 1nsh n GLY 69 Ca 0.43 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 0.00 1.61 1.13 -1.26 -5.06 117.38 113.80 1nsh n GLN 70 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1nsh n GLN 70 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 -1.19 -4.75 117.00 120.12 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 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 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 0.15 -1.43 2.03 -1.26 -4.39 116.55 111.66 1nsh n ASP 72 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 1nsh n ASP 72 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 -1.92 0.00 0.00 177.20 177.47 1nsh h PHE 73 N 0.00 -0.40 0.00 -0.67 -0.00 -1.95 -3.32 116.94 110.60 1nsh h PHE 73 Ca 0.00 -0.01 -0.13 0.00 -0.00 0.00 0.00 57.97 57.83 1nsh h PHE 73 Cb 0.00 0.13 -0.02 0.00 -0.00 0.00 0.00 35.95 36.06 1nsh h PHE 73 CO 0.00 -0.06 -0.67 0.37 -0.00 0.00 0.00 178.31 177.95 1nsh h GLN 74 N -0.90 0.00 -1.22 6.09 -0.00 -1.97 -3.26 115.11 113.86 1nsh h GLN 74 Ca -0.04 0.00 0.37 0.00 -0.00 0.00 0.00 58.65 58.98 1nsh h GLN 74 Cb 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 27.89 1nsh h GLN 74 CO 0.07 0.61 0.79 0.93 0.00 0.00 0.00 178.83 181.23 1nsh h GLU 75 N 0.00 0.18 0.04 1.69 5.08 -1.92 4.34 114.58 124.00 1nsh h GLU 75 Ca -0.01 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nsh h GLU 75 Cb 1.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.70 1nsh h GLU 75 CO 0.08 0.12 -0.02 0.35 -1.00 0.00 0.00 179.01 178.54 1nsh h PHE 76 N 0.19 -0.05 -0.48 4.33 3.04 -1.67 0.49 116.94 122.78 1nsh h PHE 76 Ca 0.74 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.74 1nsh h PHE 76 Cb 2.20 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 40.70 1nsh h PHE 76 CO -0.00 0.50 0.33 -0.07 -2.02 0.00 0.00 178.31 177.04 1nsh h LEU 77 N -0.95 0.36 0.00 0.59 3.38 -0.50 2.43 115.31 120.62 1nsh h LEU 77 Ca -0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1nsh h LEU 77 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nsh h LEU 77 CO 0.01 0.24 -0.08 -1.13 0.09 0.00 0.00 178.44 177.57 1nsh h ASN 78 N 0.42 0.07 0.62 -0.43 -1.24 0.82 0.40 115.58 116.24 1nsh h ASN 78 Ca 0.21 -0.80 -0.03 0.00 0.71 0.00 0.00 56.30 56.39 1nsh h ASN 78 Cb 0.30 -0.02 0.01 0.00 0.73 0.00 0.00 38.32 39.34 1nsh h ASN 78 CO -0.05 0.86 -0.30 -0.07 -1.29 0.00 0.00 177.43 176.58 1nsh h LEU 79 N -0.71 -0.71 -0.60 0.34 4.07 0.92 0.86 115.31 119.48 1nsh h LEU 79 Ca -0.01 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.01 1nsh h LEU 79 Cb 0.87 0.18 -0.04 0.00 1.08 0.00 0.00 40.66 42.75 1nsh h LEU 79 CO 0.02 -0.39 0.34 -0.29 -1.08 0.00 0.00 178.44 177.04 1nsh h ILE 80 N -1.08 1.02 0.02 1.22 -0.00 0.40 0.62 117.51 119.71 1nsh h ILE 80 Ca -0.09 -0.23 -0.00 0.00 -0.00 0.00 0.00 64.86 64.55 1nsh h ILE 80 Cb 0.64 0.30 0.00 0.00 -0.00 0.00 0.00 36.82 37.76 1nsh h ILE 80 CO 0.14 0.12 -0.01 1.23 -0.00 0.00 0.00 178.15 179.63 1nsh h GLY 81 N 0.66 -0.03 0.92 8.18 0.00 -0.18 0.50 103.07 113.11 1nsh h GLY 81 Ca 0.25 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1nsh h GLY 81 CO -0.13 -0.01 0.65 -1.33 0.00 0.00 0.00 176.54 175.71 1nsh h GLY 82 N -0.07 1.43 1.16 4.60 0.00 0.14 -1.08 103.07 109.25 1nsh h GLY 82 Ca -0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 1nsh h GLY 82 CO 0.01 0.43 0.29 1.41 0.00 0.00 0.00 176.54 178.68 1nsh h LEU 83 N 1.26 0.99 -0.87 3.11 3.38 0.66 -1.39 115.31 122.45 1nsh h LEU 83 Ca 0.39 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.25 1nsh h LEU 83 Cb -0.02 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 1nsh h LEU 83 CO -0.12 0.88 0.56 0.00 0.09 0.00 0.00 178.44 179.85 1nsh h ALA 84 N 1.26 1.15 0.00 1.53 0.00 0.30 0.09 119.26 123.60 1nsh h ALA 84 Ca 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nsh h ALA 84 Cb 0.20 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1nsh h ALA 84 CO -0.02 0.42 0.00 0.28 0.00 0.00 0.00 179.25 179.93 1nsh h VAL 85 N 1.10 0.00 -0.33 0.00 2.07 -0.58 1.89 116.25 120.40 1nsh h VAL 85 Ca 0.35 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.35 1nsh h VAL 85 Cb -0.01 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1nsh h VAL 85 CO -0.11 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.48 1nsh n ALA 86 N -1.93 2.91 0.00 1.67 0.00 -0.28 -4.00 120.51 118.88 1nsh n ALA 86 Ca 0.03 -1.99 0.00 0.00 0.00 0.00 0.00 53.44 51.47 1nsh n ALA 86 Cb 0.35 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -1.00 0.74 0.00 0.00 4.02 0.64 -4.97 115.29 114.72 1nsh s HIS 88 Ca 0.00 -1.55 0.00 0.00 1.02 0.00 0.00 55.06 54.53 1nsh s HIS 88 Cb 0.00 -0.97 0.00 0.00 -1.02 0.00 0.00 32.58 30.59 1nsh s HIS 88 CO 0.00 -0.83 0.00 0.39 1.02 0.00 0.00 174.74 175.32 1nsh n GLU 89 N 4.22 0.00 0.14 1.40 -0.58 -1.02 -4.13 120.64 120.67 1nsh n GLU 89 Ca 0.09 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.83 1nsh n GLU 89 Cb 0.38 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 31.37 1nsh n GLU 89 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 1nsh h SER 90 N 0.00 0.00 0.19 1.62 0.87 -1.89 -1.34 113.55 113.00 1nsh h SER 90 Ca 0.00 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 1nsh h SER 90 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1nsh h SER 90 CO 0.00 0.60 -0.22 0.15 -0.53 0.00 0.00 176.83 176.82 1nsh h PHE 91 N 0.00 -0.59 0.00 2.24 3.04 -1.94 0.91 116.94 120.60 1nsh h PHE 91 Ca -0.01 0.01 -0.11 0.00 3.98 0.00 0.00 57.97 61.84 1nsh h PHE 91 Cb 1.26 0.23 -0.02 0.00 2.56 0.00 0.00 35.95 39.99 1nsh h PHE 91 CO 0.00 -0.33 -0.71 -0.39 -2.02 0.00 0.00 178.31 174.86 1nsh h VAL 92 N -0.46 0.70 0.00 1.41 -1.51 -1.69 -3.25 116.25 111.45 1nsh h VAL 92 Ca 0.01 -2.06 0.00 0.00 -1.23 0.00 0.00 66.70 63.42 1nsh h VAL 92 Cb 0.44 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1nsh h VAL 92 CO -0.07 0.40 -0.21 1.17 -1.23 0.00 0.00 177.57 177.63 1nsh n LYS 93 N -3.12 0.19 0.11 5.19 0.00 -0.50 -2.17 118.16 117.86 1nsh n LYS 93 Ca -0.01 0.12 -0.22 0.00 0.00 0.00 0.00 58.31 58.21 1nsh n LYS 93 Cb 0.74 -1.68 -0.15 0.00 0.00 0.00 0.00 35.03 33.94 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nsh h ALA 94 N 2.66 0.03 -1.42 3.14 0.00 0.81 -3.39 119.26 121.10 1nsh h ALA 94 Ca 0.00 -0.98 -0.46 0.00 0.00 0.00 0.00 54.91 53.47 1nsh h ALA 94 Cb 0.67 0.24 -0.41 0.00 0.00 0.00 0.00 17.79 18.29 1nsh h ALA 94 CO 0.00 0.90 -1.03 0.00 0.00 0.00 0.00 179.25 179.12 1nsh n ALA 95 N -2.72 3.73 -0.38 0.00 0.00 -1.25 -4.98 120.51 114.91 1nsh n ALA 95 Ca -0.17 -3.63 -0.09 0.00 0.00 0.00 0.00 53.44 49.55 1nsh n ALA 95 Cb 1.08 -0.82 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 1nsh n ALA 95 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1nsh h PRO 96 N 2.89 -0.03 -0.15 0.00 0.13 -1.64 -0.17 132.00 133.02 1nsh h PRO 96 Ca 0.06 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.05 1nsh h PRO 96 Cb 1.02 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1nsh h PRO 96 CO 0.62 -0.02 -0.49 -1.00 -0.23 0.00 0.00 178.00 176.88 1nsh h PRO 97 N -0.04 0.40 -6.46 1.56 0.13 -1.93 -3.41 132.00 122.26 1nsh h PRO 97 Ca 0.20 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 64.56 1nsh h PRO 97 Cb 0.47 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 31.55 1nsh h PRO 97 CO -0.92 0.81 1.04 -0.65 -0.23 0.00 0.00 178.00 178.05 1nsh s GLN 98 N -4.04 3.34 0.00 0.86 -0.21 -0.08 -4.59 119.66 114.95 1nsh s GLN 98 Ca -0.06 0.11 0.00 0.00 0.02 0.00 0.00 55.36 55.43 1nsh s GLN 98 Cb 0.12 -4.10 0.00 0.00 1.00 0.00 0.00 33.01 30.03 1nsh s GLN 98 CO 0.81 -1.92 0.00 1.63 -2.12 0.00 0.00 175.29 173.69 1nsh n LYS 99 N 8.84 0.00 -0.76 2.91 5.02 -1.26 -4.74 118.16 128.17 1nsh n LYS 99 Ca 0.07 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.03 1nsh n LYS 99 Cb 0.49 -0.25 0.13 0.00 -0.02 0.00 0.00 35.03 35.39 1nsh n LYS 99 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1nsh n ARG 100 N -1.93 -0.81 -0.52 1.97 1.85 -1.26 -5.23 116.66 110.73 1nsh n ARG 100 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 1nsh n ARG 100 Cb 0.00 -1.71 0.00 0.00 -1.05 0.00 0.00 32.46 29.70 1nsh n ARG 100 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81