#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh h ARG 2 N 0.00 0.00 0.00 1.43 3.08 -2.07 -3.47 114.38 113.35 1nsh h ARG 2 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nsh h ARG 2 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1nsh h ARG 2 CO 0.00 0.88 0.00 -2.30 -1.07 0.00 0.00 179.97 177.48 1nsh n PRO 3 N -4.49 0.00 -4.28 0.04 -0.02 -1.26 -5.05 135.00 119.95 1nsh n PRO 3 Ca -0.26 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.04 1nsh n PRO 3 Cb 0.59 0.00 -0.13 0.00 -0.02 0.00 0.00 33.50 33.94 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 0.00 0.88 0.28 3.45 -1.32 -1.26 -5.02 115.64 112.64 1nsh s THR 4 Ca 0.00 -0.85 -0.01 0.00 -1.21 0.00 0.00 61.69 59.62 1nsh s THR 4 Cb 0.00 -0.81 0.32 0.00 -1.51 0.00 0.00 72.50 70.50 1nsh s THR 4 CO 0.00 -0.03 1.63 -0.08 -2.21 0.00 0.00 174.62 173.93 1nsh h GLU 5 N 5.09 0.13 -0.55 7.08 4.81 -1.97 0.48 114.58 129.65 1nsh h GLU 5 Ca -0.36 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 58.79 1nsh h GLU 5 Cb 1.19 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1nsh h GLU 5 CO 0.45 0.09 0.06 1.15 -0.73 0.00 0.00 179.01 180.02 1nsh h THR 6 N 0.13 1.26 -0.95 0.32 2.02 -1.99 -2.38 112.91 111.31 1nsh h THR 6 Ca 0.51 -1.02 0.22 0.00 0.77 0.00 0.00 66.41 66.89 1nsh h THR 6 Cb 0.99 0.83 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 1nsh h THR 6 CO -0.71 0.37 0.62 -0.33 0.37 0.00 0.00 175.52 175.84 1nsh h GLU 7 N 0.82 0.42 0.00 6.66 4.39 -0.46 0.63 114.58 127.05 1nsh h GLU 7 Ca 0.16 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.69 1nsh h GLU 7 Cb 0.45 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 1nsh h GLU 7 CO 0.02 0.28 -0.70 -0.09 -1.16 0.00 0.00 179.01 177.36 1nsh h ARG 8 N 0.44 0.00 -0.30 2.33 1.12 -1.00 -3.06 114.38 113.90 1nsh h ARG 8 Ca 0.51 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 59.23 1nsh h ARG 8 Cb 1.25 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1nsh h ARG 8 CO -0.22 0.70 -0.40 0.00 -3.11 0.00 0.00 179.97 176.94 1nsh h ILE 10 N 0.56 0.69 -0.59 0.00 5.03 -1.18 -3.09 117.51 118.93 1nsh h ILE 10 Ca 0.04 -0.78 0.17 0.00 -0.12 0.00 0.00 64.86 64.16 1nsh h ILE 10 Cb 0.99 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 35.82 1nsh h ILE 10 CO 0.09 0.14 0.54 -0.08 -0.68 0.00 0.00 178.15 178.16 1nsh h GLU 11 N -0.83 0.00 0.14 2.37 4.81 -1.64 -1.80 114.58 117.64 1nsh h GLU 11 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1nsh h GLU 11 Cb 0.51 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1nsh h GLU 11 CO 0.06 0.00 -0.07 0.77 -0.73 0.00 0.00 179.01 179.04 1nsh h SER 12 N 0.00 -0.16 0.07 1.04 0.02 -1.52 -2.96 113.55 110.05 1nsh h SER 12 Ca 0.28 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 1nsh h SER 12 Cb 1.35 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.93 1nsh h SER 12 CO -0.00 0.43 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.00 1nsh h LEU 13 N -0.95 0.00 -0.41 5.07 -0.00 -1.34 -0.82 115.31 116.86 1nsh h LEU 13 Ca -0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 57.88 57.68 1nsh h LEU 13 Cb 0.46 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.12 1nsh h LEU 13 CO 0.03 0.04 -0.60 0.40 -0.00 0.00 0.00 178.44 178.31 1nsh h ILE 14 N 0.00 1.31 -0.13 1.22 2.04 -1.44 -3.21 117.51 117.31 1nsh h ILE 14 Ca -0.00 -1.85 -0.23 0.00 1.00 0.00 0.00 64.86 63.78 1nsh h ILE 14 Cb 0.09 1.81 0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1nsh h ILE 14 CO 0.01 0.58 -0.81 0.00 0.00 0.00 0.00 178.15 177.92 1nsh h ALA 15 N 0.85 0.31 -0.84 1.87 0.00 -1.09 -1.62 119.26 118.74 1nsh h ALA 15 Ca -0.00 -0.62 0.16 0.00 0.00 0.00 0.00 54.91 54.45 1nsh h ALA 15 Cb 1.17 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1nsh h ALA 15 CO 0.12 0.69 0.55 -0.39 0.00 0.00 0.00 179.25 180.22 1nsh h VAL 16 N 0.50 0.79 0.00 0.00 -1.51 -1.23 0.84 116.25 115.65 1nsh h VAL 16 Ca -0.06 -0.18 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1nsh h VAL 16 Cb 1.44 0.21 -0.00 0.00 -2.13 0.00 0.00 31.29 30.81 1nsh h VAL 16 CO 0.16 0.10 -0.02 0.15 -1.23 0.00 0.00 177.57 176.74 1nsh h PHE 17 N 0.54 0.00 0.00 5.19 3.57 -1.53 -3.38 116.94 121.32 1nsh h PHE 17 Ca 0.42 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.87 1nsh h PHE 17 Cb 0.84 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1nsh h PHE 17 CO -0.00 0.03 -0.25 -0.56 -2.23 0.00 0.00 178.31 175.30 1nsh h GLN 18 N -1.00 0.00 -0.27 1.11 3.07 -1.15 -1.49 115.11 115.38 1nsh h GLN 18 Ca -0.00 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.80 1nsh h GLN 18 Cb 0.04 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.54 1nsh h GLN 18 CO -0.00 0.25 -0.17 -0.22 0.09 0.00 0.00 178.83 178.78 1nsh h LYS 19 N 0.00 -0.14 0.25 0.06 1.63 0.54 1.20 116.57 120.11 1nsh h LYS 19 Ca -0.00 0.01 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 1nsh h LYS 19 Cb 0.68 0.03 0.04 0.00 -0.60 0.00 0.00 32.23 32.38 1nsh h LYS 19 CO 0.03 -0.09 -1.47 1.88 -3.45 0.00 0.00 179.45 176.35 1nsh h TYR 20 N -0.15 0.97 -0.19 1.91 -1.99 -1.73 -3.26 116.97 112.52 1nsh h TYR 20 Ca 0.15 -0.71 0.06 0.00 2.00 0.00 0.00 58.73 60.22 1nsh h TYR 20 Cb 0.37 -0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.05 1nsh h TYR 20 CO -0.35 1.56 0.20 0.00 -0.00 0.00 0.00 178.16 179.57 1nsh h ALA 21 N 0.15 1.86 -1.01 3.88 0.00 -0.79 -3.43 119.26 119.91 1nsh h ALA 21 Ca -0.26 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 1nsh h ALA 21 Cb 2.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.92 1nsh h ALA 21 CO 0.27 -0.30 -0.33 0.20 0.00 0.00 0.00 179.25 179.09 1nsh s GLY 22 N -4.01 2.23 0.00 0.00 0.00 0.41 -4.67 107.32 101.29 1nsh s GLY 22 Ca -0.05 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.04 1nsh s GLY 22 CO 0.57 -1.83 0.00 1.17 0.00 0.00 0.00 173.10 173.01 1nsh n LYS 23 N -1.68 0.00 -0.07 2.90 0.00 -1.26 -4.88 118.16 113.16 1nsh n LYS 23 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 58.31 58.25 1nsh n LYS 23 Cb 0.63 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 35.56 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1nsh n ASP 24 N -0.62 1.80 0.00 3.14 5.68 -1.26 -5.10 116.55 120.19 1nsh n ASP 24 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1nsh n ASP 24 Cb 0.00 0.60 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nsh n GLY 25 N 2.25 1.98 3.62 6.12 0.00 -1.26 -5.13 105.19 112.77 1nsh n GLY 25 Ca -0.25 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 1nsh n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1nsh s HIS 26 N 1.58 3.26 0.28 1.61 3.76 -1.26 -4.81 115.29 119.72 1nsh s HIS 26 Ca 0.00 0.10 0.10 0.00 -0.15 0.00 0.00 55.06 55.11 1nsh s HIS 26 Cb 0.00 -2.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.39 1nsh s HIS 26 CO 0.00 -0.01 -0.03 0.45 -0.85 0.00 0.00 174.74 174.29 1nsh s SER 27 N 1.14 4.31 -0.02 1.40 0.15 -1.26 -5.04 113.70 114.37 1nsh s SER 27 Ca 0.07 -0.78 0.12 0.00 0.70 0.00 0.00 55.95 56.06 1nsh s SER 27 Cb -0.14 -0.69 -0.18 0.00 -1.71 0.00 0.00 66.02 63.30 1nsh s SER 27 CO 0.05 -0.04 0.28 0.55 1.20 0.00 0.00 173.24 175.28 1nsh n VAL 28 N -0.86 0.00 -4.37 4.45 3.14 -1.26 -4.97 118.33 114.46 1nsh n VAL 28 Ca -0.06 -0.27 -0.19 0.00 -2.96 0.00 0.00 64.34 60.87 1nsh n VAL 28 Cb 0.60 0.28 -0.05 0.00 -1.06 0.00 0.00 33.84 33.61 1nsh n VAL 28 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1nsh n THR 29 N -1.87 0.00 0.00 1.55 -2.24 -1.26 -3.98 114.28 106.47 1nsh n THR 29 Ca -0.02 -1.72 0.00 0.00 -2.27 0.00 0.00 64.05 60.04 1nsh n THR 29 Cb 0.30 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 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 -3.55 3.22 0.00 -1.26 -4.57 117.00 110.84 1nsh n LEU 30 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 56.01 55.99 1nsh n LEU 30 Cb 0.44 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.81 1nsh n LEU 30 CO 0.23 0.00 1.02 -0.55 0.00 0.00 0.00 177.39 178.10 1nsh s SER 31 N 1.00 -0.01 0.30 1.96 0.15 -1.26 -3.67 113.70 112.17 1nsh s SER 31 Ca 0.00 0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.73 1nsh s SER 31 Cb 0.00 1.01 0.77 0.00 -1.71 0.00 0.00 66.02 66.09 1nsh s SER 31 CO 0.00 -0.00 1.74 0.07 1.20 0.00 0.00 173.24 176.25 1nsh h LYS 32 N 5.44 0.60 -0.58 5.44 2.10 -1.98 0.97 116.57 128.57 1nsh h LYS 32 Ca -0.23 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.37 1nsh h LYS 32 Cb 1.15 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 32.31 1nsh h LYS 32 CO 0.20 0.40 0.30 0.00 -2.00 0.00 0.00 179.45 178.36 1nsh h THR 33 N 0.62 1.20 -0.53 0.07 1.03 -1.97 1.13 112.91 114.47 1nsh h THR 33 Ca 0.59 -0.52 -0.02 0.00 -0.01 0.00 0.00 66.41 66.46 1nsh h THR 33 Cb 1.03 0.48 -0.03 0.00 -1.07 0.00 0.00 68.15 68.56 1nsh h THR 33 CO -0.44 0.22 0.26 -0.33 -0.01 0.00 0.00 175.52 175.22 1nsh h GLU 34 N 0.78 0.73 0.00 0.00 5.08 -1.26 0.24 114.58 120.15 1nsh h GLU 34 Ca 0.20 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1nsh h GLU 34 Cb 0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1nsh h GLU 34 CO -0.03 0.56 -0.70 0.35 -1.00 0.00 0.00 179.01 178.19 1nsh h PHE 35 N 0.73 0.00 0.74 4.33 3.04 -0.20 -1.02 116.94 124.56 1nsh h PHE 35 Ca 0.19 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.10 1nsh h PHE 35 Cb 0.07 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.57 1nsh h PHE 35 CO 0.01 0.70 -0.47 -0.07 -2.02 0.00 0.00 178.31 176.46 1nsh h LEU 36 N 0.00 -1.19 -0.69 0.59 4.07 0.45 0.82 115.31 119.35 1nsh h LEU 36 Ca -0.01 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 57.98 1nsh h LEU 36 Cb 1.25 0.35 -0.03 0.00 1.08 0.00 0.00 40.66 43.31 1nsh h LEU 36 CO 0.09 -0.72 0.25 0.77 -1.08 0.00 0.00 178.44 177.76 1nsh h SER 37 N -1.14 0.98 -0.48 -0.43 4.64 -1.13 -2.20 113.55 113.78 1nsh h SER 37 Ca -0.10 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1nsh h SER 37 Cb 0.92 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.74 1nsh h SER 37 CO 0.09 0.90 0.32 0.15 -0.87 0.00 0.00 176.83 177.42 1nsh h PHE 38 N 1.00 0.61 -0.11 4.77 3.04 -0.96 -1.79 116.94 123.49 1nsh h PHE 38 Ca 0.23 0.01 -0.03 0.00 3.98 0.00 0.00 57.97 62.16 1nsh h PHE 38 Cb 0.25 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1nsh h PHE 38 CO 0.02 0.38 -0.06 1.98 -2.02 0.00 0.00 178.31 178.62 1nsh h MET 39 N 0.65 0.16 0.00 1.11 4.05 0.92 0.32 114.93 122.15 1nsh h MET 39 Ca 0.18 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1nsh h MET 39 Cb -0.08 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 30.70 1nsh h MET 39 CO -0.04 0.23 0.00 -0.91 0.23 0.00 0.00 176.91 176.42 1nsh h ASN 40 N 0.16 0.00 0.00 1.39 2.35 -0.71 -2.25 115.58 116.52 1nsh h ASN 40 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1nsh h ASN 40 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1nsh h ASN 40 CO 0.01 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.14 1nsh n THR 41 N -3.05 0.00 -0.08 2.81 -2.24 -0.42 -4.24 114.28 107.05 1nsh n THR 41 Ca 0.02 0.01 0.25 0.00 -2.27 0.00 0.00 64.05 62.06 1nsh n THR 41 Cb 0.38 -0.70 0.72 0.00 -2.10 0.00 0.00 70.33 68.63 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 0.00 -1.26 -0.78 5.08 -0.66 -2.22 114.58 114.74 1nsh h GLU 42 Ca 0.00 0.00 -0.47 0.00 -1.00 0.00 0.00 59.36 57.89 1nsh h GLU 42 Cb 0.00 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.84 1nsh h GLU 42 CO 0.00 0.00 -0.97 1.28 -1.00 0.00 0.00 179.01 178.32 1nsh n LEU 43 N -4.16 3.00 0.09 1.33 4.77 -1.06 -4.82 117.00 116.15 1nsh n LEU 43 Ca 0.14 -4.45 -0.03 0.00 -0.03 0.00 0.00 56.01 51.64 1nsh n LEU 43 Cb 0.82 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.87 1nsh n LEU 43 CO 0.36 1.89 0.28 0.00 -1.33 0.00 0.00 177.39 178.59 1nsh h ALA 44 N 2.80 0.51 0.00 -1.18 0.00 -0.77 -3.19 119.26 117.43 1nsh h ALA 44 Ca 0.09 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 1nsh h ALA 44 Cb 1.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nsh h ALA 44 CO 0.67 1.01 -0.05 0.00 0.00 0.00 0.00 179.25 180.88 1nsh h ALA 45 N 1.19 1.39 -0.79 0.00 0.00 -1.86 0.60 119.26 119.79 1nsh h ALA 45 Ca -0.01 -0.04 -0.34 0.00 0.00 0.00 0.00 54.91 54.52 1nsh h ALA 45 Cb 1.58 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 19.17 1nsh h ALA 45 CO 0.11 0.06 0.39 1.19 0.00 0.00 0.00 179.25 180.99 1nsh n PHE 46 N -3.70 2.52 0.00 0.00 3.72 -1.21 -4.48 117.46 114.31 1nsh n PHE 46 Ca -0.02 -1.52 0.00 0.00 -0.05 0.00 0.00 57.45 55.86 1nsh n PHE 46 Cb 0.14 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 37.92 1nsh n PHE 46 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1nsh n THR 47 N -0.71 0.00 0.00 4.37 -2.24 -0.46 -4.78 114.28 110.45 1nsh n THR 47 Ca 0.48 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.26 1nsh n THR 47 Cb 1.46 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1nsh n THR 47 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nsh n LYS 48 N -1.84 0.00 -3.47 -0.78 5.02 0.20 -3.92 118.16 113.37 1nsh n LYS 48 Ca 0.00 0.30 -0.39 0.00 -2.02 0.00 0.00 58.31 56.20 1nsh n LYS 48 Cb 0.00 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.85 4.84 -4.40 4.39 4.13 -1.26 -5.03 115.26 117.08 1nsh n ASN 49 Ca 0.00 -3.15 -0.32 0.00 1.68 0.00 0.00 54.58 52.79 1nsh n ASN 49 Cb 0.00 -1.16 -0.14 0.00 -1.54 0.00 0.00 39.78 36.94 1nsh n ASN 49 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1nsh s GLN 50 N -1.57 2.35 -0.06 3.52 -1.52 -1.25 -5.00 119.66 116.12 1nsh s GLN 50 Ca 0.30 -0.80 0.10 0.00 -1.95 0.00 0.00 55.36 53.00 1nsh s GLN 50 Cb -0.05 -2.23 -0.23 0.00 -0.22 0.00 0.00 33.01 30.27 1nsh s GLN 50 CO -0.08 0.58 0.62 1.63 -0.25 0.00 0.00 175.29 177.79 1nsh n LYS 51 N 2.40 0.65 -2.76 2.91 5.02 -1.26 -4.80 118.16 120.33 1nsh n LYS 51 Ca -0.17 0.29 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1nsh n LYS 51 Cb 0.52 -1.78 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 1nsh n LYS 51 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1nsh s ASP 52 N -6.21 6.56 -0.06 4.39 -1.08 -1.26 -4.91 116.67 114.10 1nsh s ASP 52 Ca -0.07 0.28 0.04 0.00 -0.52 0.00 0.00 52.55 52.27 1nsh s ASP 52 Cb 0.08 -2.48 0.22 0.00 -1.46 0.00 0.00 42.92 39.27 1nsh s ASP 52 CO 0.82 -1.08 0.83 -0.81 0.52 0.00 0.00 175.17 175.45 1nsh n PRO 53 N 7.30 2.03 -0.06 4.34 -0.05 -1.26 -3.62 135.00 143.68 1nsh n PRO 53 Ca 0.08 -0.83 0.04 0.00 -0.05 0.00 0.00 63.50 62.74 1nsh n PRO 53 Cb 0.49 -1.70 0.06 0.00 -0.05 0.00 0.00 33.50 32.30 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1nsh n GLY 54 N 0.17 3.20 0.05 0.55 0.00 -1.26 -4.61 105.19 103.30 1nsh n GLY 54 Ca 0.07 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 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 0.66 0.00 0.07 1.61 2.07 -1.82 -3.22 116.25 115.63 1nsh h VAL 55 Ca 0.00 -0.88 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1nsh h VAL 55 Cb 0.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1nsh h VAL 55 CO 0.00 0.00 -0.04 0.25 0.02 0.00 0.00 177.57 177.80 1nsh h LEU 56 N -0.88 -0.08 -2.11 2.57 5.85 -1.86 -2.99 115.31 115.81 1nsh h LEU 56 Ca 0.00 -0.34 0.08 0.00 0.84 0.00 0.00 57.88 58.47 1nsh h LEU 56 Cb 0.19 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1nsh h LEU 56 CO 0.00 0.30 0.27 -0.78 -0.34 0.00 0.00 178.44 177.89 1nsh h ASP 57 N -0.48 0.00 0.05 1.25 1.82 -1.81 -1.97 116.42 115.28 1nsh h ASP 57 Ca -0.01 0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1nsh h ASP 57 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1nsh h ASP 57 CO 0.02 0.00 -0.02 0.03 -1.61 0.00 0.00 179.24 177.65 1nsh h ARG 58 N 0.00 -0.06 0.16 0.28 3.08 -1.53 -1.90 114.38 114.42 1nsh h ARG 58 Ca 0.14 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.20 1nsh h ARG 58 Cb 0.68 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1nsh h ARG 58 CO -0.00 0.05 -0.20 0.00 -1.07 0.00 0.00 179.97 178.74 1nsh h MET 59 N -0.16 -0.40 -0.04 0.04 -0.00 -1.39 -1.09 114.93 111.90 1nsh h MET 59 Ca -0.01 0.03 0.01 0.00 -0.00 0.00 0.00 59.70 59.73 1nsh h MET 59 Cb 0.14 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1nsh h MET 59 CO 0.01 -0.26 0.07 0.52 -0.00 0.00 0.00 176.91 177.25 1nsh h MET 60 N -0.41 0.00 0.07 -0.10 2.86 -1.51 -0.33 114.93 115.51 1nsh h MET 60 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1nsh h MET 60 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1nsh h MET 60 CO -0.08 0.00 -0.03 0.87 1.06 0.00 0.00 176.91 178.73 1nsh h LYS 61 N 0.00 -0.09 -0.00 1.72 1.57 -0.41 -3.35 116.57 116.00 1nsh h LYS 61 Ca 0.02 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1nsh h LYS 61 Cb 0.16 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1nsh h LYS 61 CO -0.00 -0.06 0.00 1.17 -0.57 0.00 0.00 179.45 179.99 1nsh n LYS 62 N -4.74 1.01 0.00 3.15 0.00 -0.52 -3.72 118.16 113.34 1nsh n LYS 62 Ca -0.01 -0.02 0.10 0.00 0.00 0.00 0.00 58.31 58.38 1nsh n LYS 62 Cb 0.04 -1.19 0.52 0.00 0.00 0.00 0.00 35.03 34.40 1nsh n LYS 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 1nsh n LEU 63 N -0.66 0.00 0.00 3.14 -0.00 -0.15 -4.90 117.00 114.43 1nsh n LEU 63 Ca 0.09 0.29 0.00 0.00 -0.00 0.00 0.00 56.01 56.39 1nsh n LEU 63 Cb 0.05 -0.29 0.00 0.00 -0.00 0.00 0.00 43.42 43.18 1nsh n LEU 63 CO 0.07 -0.09 0.00 0.47 -0.00 0.00 0.00 177.39 177.83 1nsh n ASP 64 N -1.29 0.00 0.00 1.45 8.00 -1.24 -4.82 116.55 118.65 1nsh n ASP 64 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 1nsh n ASP 64 Cb 0.16 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1nsh n LEU 65 N 0.00 0.00 -1.22 0.64 7.99 -1.26 -4.65 117.00 118.50 1nsh n LEU 65 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 56.01 55.84 1nsh n LEU 65 Cb 0.00 0.00 -0.07 0.00 -0.11 0.00 0.00 43.42 43.24 1nsh n LEU 65 CO 0.00 0.00 -0.15 0.59 -1.51 0.00 0.00 177.39 176.32 1nsh n ASN 66 N 1.15 -4.99 -0.66 -1.43 3.02 -1.26 -4.68 115.26 106.42 1nsh n ASN 66 Ca 0.00 0.39 0.06 0.00 -0.03 0.00 0.00 54.58 55.00 1nsh n ASN 66 Cb 0.00 -3.89 -0.01 0.00 -0.61 0.00 0.00 39.78 35.27 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1nsh n SER 67 N -0.65 -3.92 -1.90 6.41 7.64 -1.26 -4.76 113.62 115.18 1nsh n SER 67 Ca -0.16 0.44 -0.16 0.00 1.01 0.00 0.00 58.87 60.00 1nsh n SER 67 Cb 0.53 -1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 62.33 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 -3.96 -4.39 0.00 6.43 9.92 -1.26 -4.79 116.55 118.50 1nsh n ASP 68 Ca 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 54.79 54.52 1nsh n ASP 68 Cb 0.19 -3.85 0.00 0.00 -0.64 0.00 0.00 41.12 36.81 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 -0.57 3.96 1.80 0.44 0.00 -1.26 -5.20 105.19 104.37 1nsh n GLY 69 Ca -0.17 -0.33 -0.06 0.00 0.00 0.00 0.00 46.02 45.45 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 0.44 0.00 1.61 1.13 -1.26 -5.10 117.38 114.20 1nsh n GLN 70 Ca 0.00 -1.33 0.00 0.00 -1.94 0.00 0.00 57.00 53.73 1nsh n GLN 70 Cb 0.00 1.40 0.00 0.00 0.11 0.00 0.00 30.24 31.75 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 -1.24 -4.81 117.00 120.02 1nsh n LEU 71 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.99 1nsh n LEU 71 Cb 0.30 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.61 1nsh n LEU 71 CO 0.15 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.36 1nsh n ASP 72 N 0.00 0.00 -0.05 -1.43 2.03 -1.26 -4.57 116.55 111.27 1nsh n ASP 72 Ca 0.00 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1nsh n ASP 72 Cb 0.00 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 -0.67 -0.00 -1.96 -3.37 116.94 110.94 1nsh h PHE 73 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.92 1nsh h PHE 73 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 1nsh h PHE 73 CO 0.00 0.00 -0.23 0.37 -0.00 0.00 0.00 178.31 178.45 1nsh h GLN 74 N -0.95 0.00 -1.21 6.09 -0.00 -1.97 -3.15 115.11 113.93 1nsh h GLN 74 Ca 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 58.65 59.00 1nsh h GLN 74 Cb 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 27.48 27.45 1nsh h GLN 74 CO 0.00 0.22 0.83 1.49 0.00 0.00 0.00 178.83 181.37 1nsh h GLU 75 N 0.00 0.13 0.00 1.69 4.81 -1.92 2.31 114.58 121.59 1nsh h GLU 75 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1nsh h GLU 75 Cb 1.17 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 1nsh h GLU 75 CO 0.03 0.08 -0.05 0.35 -0.73 0.00 0.00 179.01 178.69 1nsh h PHE 76 N 0.13 0.00 -0.78 0.92 3.04 -1.70 0.72 116.94 119.28 1nsh h PHE 76 Ca 0.63 0.00 0.16 0.00 3.98 0.00 0.00 57.97 62.74 1nsh h PHE 76 Cb 2.17 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 40.63 1nsh h PHE 76 CO -0.00 0.58 0.52 -0.07 -2.02 0.00 0.00 178.31 177.32 1nsh h LEU 77 N -1.00 0.36 0.03 0.59 3.38 -0.75 1.38 115.31 119.29 1nsh h LEU 77 Ca -0.01 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.73 1nsh h LEU 77 Cb 0.59 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.32 1nsh h LEU 77 CO -0.01 0.17 -1.03 -1.13 0.09 0.00 0.00 178.44 176.54 1nsh h ASN 78 N 0.37 0.85 0.69 -0.43 -1.24 0.36 1.16 115.58 117.34 1nsh h ASN 78 Ca 0.39 -0.77 -0.03 0.00 0.71 0.00 0.00 56.30 56.60 1nsh h ASN 78 Cb 0.95 -0.26 0.01 0.00 0.73 0.00 0.00 38.32 39.75 1nsh h ASN 78 CO -0.12 1.51 -0.33 -0.07 -1.29 0.00 0.00 177.43 177.13 1nsh h LEU 79 N 0.28 -0.78 -0.02 0.34 4.07 0.21 0.51 115.31 119.93 1nsh h LEU 79 Ca -0.14 -0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.70 1nsh h LEU 79 Cb 1.70 0.20 0.01 0.00 1.08 0.00 0.00 40.66 43.65 1nsh h LEU 79 CO 0.20 -0.48 -0.46 -0.29 -1.08 0.00 0.00 178.44 176.33 1nsh h ILE 80 N -1.04 1.45 -0.45 1.22 -0.00 0.15 -3.14 117.51 115.70 1nsh h ILE 80 Ca -0.09 -1.97 0.09 0.00 -0.00 0.00 0.00 64.86 62.89 1nsh h ILE 80 Cb 0.73 2.56 -0.07 0.00 -0.00 0.00 0.00 36.82 40.04 1nsh h ILE 80 CO 0.15 0.56 -0.01 1.23 -0.00 0.00 0.00 178.15 180.09 1nsh h GLY 81 N -0.19 0.44 0.15 8.18 0.00 0.13 0.13 103.07 111.91 1nsh h GLY 81 Ca -0.05 0.07 0.17 0.00 0.00 0.00 0.00 47.33 47.52 1nsh h GLY 81 CO 0.09 -0.13 0.51 -1.33 0.00 0.00 0.00 176.54 175.69 1nsh h GLY 82 N 0.10 1.57 0.67 4.60 0.00 -0.95 -0.05 103.07 109.01 1nsh h GLY 82 Ca 0.22 -0.29 0.04 0.00 0.00 0.00 0.00 47.33 47.30 1nsh h GLY 82 CO -0.38 -0.06 0.12 1.41 0.00 0.00 0.00 176.54 177.62 1nsh h LEU 83 N 0.67 0.12 -1.74 3.11 3.38 -0.71 0.64 115.31 120.78 1nsh h LEU 83 Ca 0.52 0.04 0.12 0.00 0.09 0.00 0.00 57.88 58.65 1nsh h LEU 83 Cb 0.79 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1nsh h LEU 83 CO -0.38 0.11 0.40 0.00 0.09 0.00 0.00 178.44 178.65 1nsh h ALA 84 N 1.24 2.17 0.00 1.53 0.00 -0.38 1.87 119.26 125.69 1nsh h ALA 84 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nsh h ALA 84 Cb 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1nsh h ALA 84 CO -0.17 -0.32 -0.46 0.28 0.00 0.00 0.00 179.25 178.57 1nsh h VAL 85 N 0.28 0.00 -0.07 0.00 2.07 -0.73 0.25 116.25 118.05 1nsh h VAL 85 Ca 0.28 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1nsh h VAL 85 Cb 0.71 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1nsh h VAL 85 CO -0.06 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.53 1nsh n ALA 86 N -1.99 2.41 0.00 1.67 0.00 0.43 -3.48 120.51 119.56 1nsh n ALA 86 Ca 0.03 -0.69 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1nsh n ALA 86 Cb 0.49 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.63 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n HIS 88 N -1.76 -2.59 -1.02 0.00 -0.00 0.88 -4.95 115.22 105.79 1nsh n HIS 88 Ca 0.00 0.00 -0.25 0.00 0.46 0.00 0.00 57.72 57.93 1nsh n HIS 88 Cb 0.06 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.02 1nsh n HIS 88 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1nsh n GLU 89 N -0.66 2.22 -0.28 1.57 2.13 -1.25 -3.72 120.64 120.64 1nsh n GLU 89 Ca 0.00 -2.53 0.12 0.00 0.66 0.00 0.00 57.16 55.41 1nsh n GLU 89 Cb 0.00 -1.99 0.27 0.00 0.27 0.00 0.00 31.44 29.99 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 -0.56 3.67 0.00 4.31 7.64 -1.24 -4.76 113.62 122.68 1nsh n SER 90 Ca 0.49 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 58.38 1nsh n SER 90 Cb 0.92 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1nsh n PHE 91 N 1.56 0.00 -0.87 1.43 -0.00 -1.26 -4.83 117.46 113.49 1nsh n PHE 91 Ca 0.22 0.00 -0.32 0.00 -0.00 0.00 0.00 57.45 57.35 1nsh n PHE 91 Cb 0.61 0.00 0.15 0.00 -0.00 0.00 0.00 39.48 40.24 1nsh n PHE 91 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1nsh s VAL 92 N 0.00 2.04 -1.52 -2.13 1.01 -1.23 -2.49 120.40 116.08 1nsh s VAL 92 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1nsh s VAL 92 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1nsh s VAL 92 CO 0.00 -0.02 0.00 0.29 0.00 0.00 0.00 175.10 175.37 1nsh n LYS 93 N -3.85 -1.47 -0.01 2.72 4.01 -1.26 -4.75 118.16 113.54 1nsh n LYS 93 Ca 0.13 1.00 -0.00 0.00 -0.51 0.00 0.00 58.31 58.92 1nsh n LYS 93 Cb 0.51 -5.33 -0.02 0.00 -0.51 0.00 0.00 35.03 29.68 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nsh n ALA 94 N 1.27 1.99 -2.87 7.82 0.00 -1.04 -4.83 120.51 122.85 1nsh n ALA 94 Ca -0.14 -0.14 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 1nsh n ALA 94 Cb 0.59 0.10 0.01 0.00 0.00 0.00 0.00 19.45 20.14 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n ALA 95 N -1.94 2.85 -0.08 0.00 0.00 -1.26 -4.96 120.51 115.13 1nsh n ALA 95 Ca -0.03 -3.23 -0.09 0.00 0.00 0.00 0.00 53.44 50.09 1nsh n ALA 95 Cb 0.42 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 18.92 1nsh n ALA 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1nsh h PRO 96 N 3.00 0.33 0.00 0.00 0.11 -1.93 -3.04 132.00 130.47 1nsh h PRO 96 Ca -0.02 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.98 1nsh h PRO 96 Cb 1.10 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 1nsh h PRO 96 CO 0.50 0.22 -0.74 -1.00 -0.21 0.00 0.00 178.00 176.77 1nsh h PRO 97 N 0.34 0.00 -6.56 1.05 0.13 -2.01 -3.47 132.00 121.48 1nsh h PRO 97 Ca 0.11 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.66 1nsh h PRO 97 Cb -0.00 0.00 0.17 0.00 0.13 0.00 0.00 31.00 31.30 1nsh h PRO 97 CO -0.05 0.27 -0.30 0.94 -0.23 0.00 0.00 178.00 178.63 1nsh n GLN 98 N -3.02 0.58 -3.99 0.86 0.00 -1.15 -4.98 117.38 105.68 1nsh n GLN 98 Ca -0.01 0.23 -0.31 0.00 -0.00 0.00 0.00 57.00 56.91 1nsh n GLN 98 Cb 0.70 -1.78 -0.15 0.00 0.00 0.00 0.00 30.24 29.01 1nsh n GLN 98 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1nsh s LYS 99 N -2.18 1.52 -0.17 3.69 1.02 -1.26 -4.94 119.74 117.42 1nsh s LYS 99 Ca 0.70 -1.63 0.08 0.00 0.02 0.00 0.00 55.97 55.13 1nsh s LYS 99 Cb -0.44 -2.97 -0.22 0.00 -0.52 0.00 0.00 37.83 33.67 1nsh s LYS 99 CO 0.53 -0.86 0.16 2.89 -0.92 0.00 0.00 175.35 177.15 1nsh n ARG 100 N 4.38 0.68 0.00 1.68 1.85 -1.26 -5.27 116.66 118.72 1nsh n ARG 100 Ca -0.01 0.15 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 1nsh n ARG 100 Cb 0.42 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.22 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96