#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nsh s ARG 2 N 0.00 1.15 0.00 1.43 0.52 -1.26 -5.11 118.95 115.68 1nsh s ARG 2 Ca 0.00 -0.21 0.00 0.00 -0.52 0.00 0.00 55.73 55.00 1nsh s ARG 2 Cb 0.00 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.94 1nsh s ARG 2 CO 0.00 -0.35 0.00 -0.35 0.02 0.00 0.00 175.30 174.62 1nsh n PRO 3 N 5.00 0.00 -3.56 3.54 -0.04 -1.26 -5.06 135.00 133.62 1nsh n PRO 3 Ca -0.10 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.20 1nsh n PRO 3 Cb 0.49 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.89 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nsh s THR 4 N 0.00 0.00 0.30 0.52 -1.32 -1.26 -5.00 115.64 108.88 1nsh s THR 4 Ca 0.00 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.52 1nsh s THR 4 Cb 0.00 -1.00 0.32 0.00 -1.51 0.00 0.00 72.50 70.31 1nsh s THR 4 CO 0.00 0.00 1.64 -0.08 -2.21 0.00 0.00 174.62 173.97 1nsh h GLU 5 N 3.63 0.19 -0.37 7.08 4.81 -2.00 0.58 114.58 128.50 1nsh h GLU 5 Ca -0.27 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 1nsh h GLU 5 Cb 1.15 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1nsh h GLU 5 CO 0.27 0.13 -0.30 1.15 -0.73 0.00 0.00 179.01 179.53 1nsh h THR 6 N 0.20 1.28 -0.95 0.32 2.02 -1.99 -2.72 112.91 111.07 1nsh h THR 6 Ca 0.58 -1.45 0.19 0.00 0.77 0.00 0.00 66.41 66.51 1nsh h THR 6 Cb 1.21 1.30 -0.08 0.00 -1.74 0.00 0.00 68.15 68.85 1nsh h THR 6 CO -0.67 0.48 0.61 -0.33 0.37 0.00 0.00 175.52 175.97 1nsh h GLU 7 N 0.69 0.57 0.00 6.66 4.39 -0.24 0.37 114.58 127.02 1nsh h GLU 7 Ca 0.08 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.61 1nsh h GLU 7 Cb 0.84 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.34 1nsh h GLU 7 CO 0.07 0.38 -0.66 0.00 -1.16 0.00 0.00 179.01 177.64 1nsh h ARG 8 N 0.59 0.00 -0.12 2.33 -0.00 -1.23 -3.21 114.38 112.73 1nsh h ARG 8 Ca 0.51 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.95 1nsh h ARG 8 Cb 1.01 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.97 1nsh h ARG 8 CO -0.25 0.66 -0.07 0.00 0.00 0.00 0.00 179.97 180.30 1nsh h ILE 10 N -0.09 0.31 -0.47 0.00 5.03 -1.32 -2.46 117.51 118.51 1nsh h ILE 10 Ca 0.03 -0.07 0.14 0.00 -0.12 0.00 0.00 64.86 64.83 1nsh h ILE 10 Cb 0.54 0.34 -0.02 0.00 -3.03 0.00 0.00 36.82 34.65 1nsh h ILE 10 CO 0.02 0.01 0.41 -0.33 -0.68 0.00 0.00 178.15 177.58 1nsh h GLU 11 N -0.96 0.00 0.48 2.37 5.08 -1.65 -1.86 114.58 118.04 1nsh h GLU 11 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1nsh h GLU 11 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1nsh h GLU 11 CO 0.15 0.00 -0.23 1.03 -1.00 0.00 0.00 179.01 178.96 1nsh h SER 12 N 0.00 -0.55 -0.24 1.42 0.87 -0.96 -2.90 113.55 111.19 1nsh h SER 12 Ca 0.22 -0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.58 1nsh h SER 12 Cb 1.04 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1nsh h SER 12 CO -0.00 -0.30 -0.46 -0.07 -0.53 0.00 0.00 176.83 175.47 1nsh h LEU 13 N -0.79 0.82 -2.03 2.23 -0.00 -1.26 -2.95 115.31 111.34 1nsh h LEU 13 Ca -0.07 -0.54 0.11 0.00 -0.00 0.00 0.00 57.88 57.38 1nsh h LEU 13 Cb 0.56 -0.23 -0.01 0.00 -0.00 0.00 0.00 40.66 40.97 1nsh h LEU 13 CO 0.11 1.20 0.27 0.40 -0.00 0.00 0.00 178.44 180.43 1nsh h ILE 14 N 0.46 0.75 0.05 1.22 2.04 -1.44 -2.16 117.51 118.44 1nsh h ILE 14 Ca 0.01 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.58 1nsh h ILE 14 Cb 1.06 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 1nsh h ILE 14 CO 0.10 0.00 -1.53 0.00 0.00 0.00 0.00 178.15 176.72 1nsh h ALA 15 N 1.79 0.49 -0.60 1.87 0.00 -1.47 -2.45 119.26 118.89 1nsh h ALA 15 Ca 0.17 -1.23 0.15 0.00 0.00 0.00 0.00 54.91 54.00 1nsh h ALA 15 Cb 0.72 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 1nsh h ALA 15 CO -0.00 1.34 0.42 -0.39 0.00 0.00 0.00 179.25 180.62 1nsh h VAL 16 N 0.03 0.76 0.00 0.00 -1.51 -1.21 0.96 116.25 115.28 1nsh h VAL 16 Ca -0.23 -0.05 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1nsh h VAL 16 Cb 1.97 0.61 -0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1nsh h VAL 16 CO 0.12 0.03 -0.02 -0.26 -1.23 0.00 0.00 177.57 176.20 1nsh h PHE 17 N 0.14 0.00 -1.14 5.19 0.04 -1.57 -3.33 116.94 116.28 1nsh h PHE 17 Ca 0.29 0.00 0.33 0.00 2.80 0.00 0.00 57.97 61.38 1nsh h PHE 17 Cb 0.94 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.03 1nsh h PHE 17 CO -0.00 0.19 0.81 1.96 -0.60 0.00 0.00 178.31 180.67 1nsh h GLN 18 N -1.00 0.05 0.13 1.51 1.08 -0.91 1.71 115.11 117.68 1nsh h GLN 18 Ca -0.00 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1nsh h GLN 18 Cb 0.21 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1nsh h GLN 18 CO -0.00 0.03 -0.06 -0.22 -0.95 0.00 0.00 178.83 177.63 1nsh h LYS 19 N 0.05 -0.16 0.08 1.46 1.63 -0.94 0.85 116.57 119.53 1nsh h LYS 19 Ca 0.55 0.01 -0.25 0.00 -0.85 0.00 0.00 60.65 60.11 1nsh h LYS 19 Cb 2.11 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 33.77 1nsh h LYS 19 CO -0.05 -0.02 -1.17 1.88 -3.45 0.00 0.00 179.45 176.64 1nsh h TYR 20 N -0.27 0.29 -0.30 1.91 0.05 -1.04 -3.24 116.97 114.37 1nsh h TYR 20 Ca -0.02 -0.21 0.00 0.00 0.05 0.00 0.00 58.73 58.55 1nsh h TYR 20 Cb 0.21 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.94 1nsh h TYR 20 CO -0.04 1.17 0.00 0.00 -1.05 0.00 0.00 178.16 178.24 1nsh n ALA 21 N -2.47 3.23 -3.00 3.88 0.00 0.56 -4.79 120.51 117.92 1nsh n ALA 21 Ca -0.06 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.38 1nsh n ALA 21 Cb 0.99 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1nsh n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nsh n GLY 22 N 0.34 2.05 0.27 0.00 0.00 0.30 -4.28 105.19 103.85 1nsh n GLY 22 Ca 0.15 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.13 1.61 4.81 -1.26 -4.79 118.16 117.40 1nsh n LYS 23 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 1nsh n LYS 23 Cb 0.00 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.01 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1nsh n ASP 24 N -2.11 -0.89 0.00 3.14 5.75 -1.26 -5.12 116.55 116.06 1nsh n ASP 24 Ca 0.00 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 1nsh n ASP 24 Cb 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nsh n GLY 25 N -0.18 3.49 2.45 6.12 0.00 -1.26 -5.13 105.19 110.69 1nsh n GLY 25 Ca -0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.03 -4.50 -3.21 1.61 8.25 -1.26 -5.03 115.22 111.05 1nsh n HIS 26 Ca 0.00 2.65 -0.19 0.00 -0.26 0.00 0.00 57.72 59.91 1nsh n HIS 26 Cb 0.00 -3.83 -0.07 0.00 1.12 0.00 0.00 29.99 27.21 1nsh n HIS 26 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nsh s SER 27 N -0.62 0.61 -0.07 0.41 1.04 -1.26 -4.75 113.70 109.06 1nsh s SER 27 Ca -0.17 -2.50 0.14 0.00 0.48 0.00 0.00 55.95 53.90 1nsh s SER 27 Cb 0.01 0.34 -0.21 0.00 0.10 0.00 0.00 66.02 66.26 1nsh s SER 27 CO 0.45 -0.15 0.22 0.55 0.98 0.00 0.00 173.24 175.30 1nsh n VAL 28 N 3.06 0.39 -4.18 5.02 3.14 -1.26 -4.94 118.33 119.55 1nsh n VAL 28 Ca 0.24 -0.45 -0.13 0.00 -2.96 0.00 0.00 64.34 61.04 1nsh n VAL 28 Cb 0.50 -0.15 -0.05 0.00 -1.06 0.00 0.00 33.84 33.07 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 -2.23 0.00 0.00 1.55 -2.24 -1.26 -4.59 114.28 105.51 1nsh n THR 29 Ca -0.11 -1.61 0.00 0.00 -2.27 0.00 0.00 64.05 60.06 1nsh n THR 29 Cb 0.62 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 -4.38 117.00 110.94 1nsh n LEU 30 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.05 1nsh n LEU 30 Cb 0.40 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.76 1nsh n LEU 30 CO 0.21 0.00 0.85 -0.55 0.00 0.00 0.00 177.39 177.90 1nsh s SER 31 N 1.00 -0.29 0.28 1.96 0.15 -1.26 -3.84 113.70 111.70 1nsh s SER 31 Ca 0.00 0.46 0.02 0.00 0.70 0.00 0.00 55.95 57.14 1nsh s SER 31 Cb 0.00 1.05 0.66 0.00 -1.71 0.00 0.00 66.02 66.02 1nsh s SER 31 CO 0.00 -0.07 1.72 0.07 1.20 0.00 0.00 173.24 176.16 1nsh h LYS 32 N 5.40 0.47 -0.03 5.44 2.10 -1.98 0.18 116.57 128.15 1nsh h LYS 32 Ca -0.27 -0.03 -0.18 0.00 -2.00 0.00 0.00 60.65 58.17 1nsh h LYS 32 Cb 1.18 -0.11 0.01 0.00 -0.90 0.00 0.00 32.23 32.41 1nsh h LYS 32 CO 0.21 0.31 -0.67 1.15 -2.00 0.00 0.00 179.45 178.45 1nsh h THR 33 N 0.48 1.38 -0.42 0.07 2.02 -1.97 -0.87 112.91 113.60 1nsh h THR 33 Ca 0.53 -2.05 0.12 0.00 0.77 0.00 0.00 66.41 65.78 1nsh h THR 33 Cb 0.92 2.44 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 1nsh h THR 33 CO -0.47 0.61 0.33 -0.33 0.37 0.00 0.00 175.52 176.03 1nsh h GLU 34 N 0.07 0.00 0.16 6.66 5.08 -1.50 1.56 114.58 126.60 1nsh h GLU 34 Ca -0.07 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 1nsh h GLU 34 Cb 1.35 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.62 1nsh h GLU 34 CO 0.13 0.00 -1.01 0.35 -1.00 0.00 0.00 179.01 177.49 1nsh h PHE 35 N 0.00 0.60 0.00 4.33 3.04 -0.62 -2.07 116.94 122.22 1nsh h PHE 35 Ca 0.20 -0.44 -0.04 0.00 3.98 0.00 0.00 57.97 61.67 1nsh h PHE 35 Cb 0.85 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1nsh h PHE 35 CO 0.00 1.39 -0.21 1.37 -2.02 0.00 0.00 178.31 178.84 1nsh h LEU 36 N -0.28 0.00 0.00 0.59 8.10 0.57 0.17 115.31 124.45 1nsh h LEU 36 Ca -0.18 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.79 1nsh h LEU 36 Cb 1.75 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.96 1nsh h LEU 36 CO 0.16 0.21 -0.14 -1.28 -4.11 0.00 0.00 178.44 173.28 1nsh h SER 37 N 0.00 0.00 -0.47 0.17 0.87 0.20 -3.35 113.55 110.97 1nsh h SER 37 Ca -0.00 -0.58 -0.03 0.00 -1.23 0.00 0.00 61.79 59.95 1nsh h SER 37 Cb 0.72 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1nsh h SER 37 CO 0.03 0.87 0.21 -0.26 -0.53 0.00 0.00 176.83 177.14 1nsh h PHE 38 N -1.00 0.75 -1.10 2.24 0.04 -1.39 -2.43 116.94 114.03 1nsh h PHE 38 Ca -0.03 -0.03 0.31 0.00 2.80 0.00 0.00 57.97 61.02 1nsh h PHE 38 Cb 0.67 -0.23 -0.11 0.00 2.20 0.00 0.00 35.95 38.48 1nsh h PHE 38 CO 0.15 0.58 0.70 1.98 -0.60 0.00 0.00 178.31 181.12 1nsh h MET 39 N 0.74 0.31 0.00 1.51 4.05 -1.08 0.80 114.93 121.26 1nsh h MET 39 Ca 0.18 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 1nsh h MET 39 Cb 0.15 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1nsh h MET 39 CO -0.02 0.20 0.00 -0.91 0.23 0.00 0.00 176.91 176.42 1nsh h ASN 40 N 0.32 0.00 0.75 1.39 2.35 -1.56 1.34 115.58 120.17 1nsh h ASN 40 Ca 0.67 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 56.17 1nsh h ASN 40 Cb 1.78 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 40.12 1nsh h ASN 40 CO -0.38 0.00 -1.32 0.00 -1.65 0.00 0.00 177.43 174.09 1nsh h THR 41 N 0.00 1.34 0.00 2.81 1.03 0.49 -3.39 112.91 115.19 1nsh h THR 41 Ca 0.00 -3.09 0.00 0.00 -0.01 0.00 0.00 66.41 63.31 1nsh h THR 41 Cb 0.19 2.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.96 1nsh h THR 41 CO 0.00 0.78 -0.23 -0.62 -0.01 0.00 0.00 175.52 175.44 1nsh n GLU 42 N -3.25 0.19 -1.33 0.00 1.02 -1.01 -4.84 120.64 111.41 1nsh n GLU 42 Ca -0.08 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.80 1nsh n GLU 42 Cb 0.99 -0.62 0.11 0.00 -0.02 0.00 0.00 31.44 31.91 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nsh n LEU 43 N -1.56 6.58 0.12 -4.62 4.77 0.38 -4.52 117.00 118.15 1nsh n LEU 43 Ca 0.00 -4.12 -0.21 0.00 -0.03 0.00 0.00 56.01 51.65 1nsh n LEU 43 Cb 0.12 -0.81 -0.14 0.00 -2.33 0.00 0.00 43.42 40.26 1nsh n LEU 43 CO 0.00 1.43 -0.13 0.00 -1.33 0.00 0.00 177.39 177.36 1nsh h ALA 44 N 1.63 -0.03 -0.26 -1.18 0.00 0.68 -3.22 119.26 116.87 1nsh h ALA 44 Ca 0.53 -0.84 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1nsh h ALA 44 Cb 1.55 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1nsh h ALA 44 CO 1.19 0.78 0.37 0.00 0.00 0.00 0.00 179.25 181.59 1nsh h ALA 45 N 0.34 1.85 -0.87 0.00 0.00 -1.85 0.89 119.26 119.62 1nsh h ALA 45 Ca -0.20 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 1nsh h ALA 45 Cb 2.04 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 19.63 1nsh h ALA 45 CO 0.24 -0.51 0.46 1.19 0.00 0.00 0.00 179.25 180.64 1nsh n PHE 46 N -3.51 2.76 0.00 0.00 3.01 -1.22 -4.42 117.46 114.08 1nsh n PHE 46 Ca 0.04 -1.52 0.00 0.00 1.01 0.00 0.00 57.45 56.98 1nsh n PHE 46 Cb 0.50 -0.82 0.00 0.00 -0.01 0.00 0.00 39.48 39.16 1nsh n PHE 46 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1nsh n THR 47 N -0.64 0.00 0.00 4.37 -2.24 0.18 -4.77 114.28 111.17 1nsh n THR 47 Ca 0.50 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.28 1nsh n THR 47 Cb 1.53 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.71 1nsh n THR 47 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1nsh n LYS 48 N -1.74 0.00 -0.09 -0.78 2.85 0.25 -4.31 118.16 114.34 1nsh n LYS 48 Ca 0.00 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.40 1nsh n LYS 48 Cb 0.00 -0.72 -0.05 0.00 -0.65 0.00 0.00 35.03 33.61 1nsh n LYS 48 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 1nsh n ASN 49 N -0.58 1.87 -1.24 -5.58 5.15 -1.26 -5.09 115.26 108.52 1nsh n ASN 49 Ca 0.00 0.48 0.14 0.00 -0.60 0.00 0.00 54.58 54.60 1nsh n ASN 49 Cb 0.00 -0.86 -0.06 0.00 -0.53 0.00 0.00 39.78 38.33 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1nsh n GLN 50 N -4.49 -2.46 -0.05 1.20 1.13 -1.26 -4.81 117.38 106.64 1nsh n GLN 50 Ca -0.21 1.86 -0.04 0.00 -1.94 0.00 0.00 57.00 56.66 1nsh n GLN 50 Cb 0.51 -3.04 -0.09 0.00 0.11 0.00 0.00 30.24 27.72 1nsh n GLN 50 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1nsh n LYS 51 N -3.82 1.88 -4.08 -1.09 5.02 -1.26 -4.93 118.16 109.88 1nsh n LYS 51 Ca -0.04 -0.02 -0.32 0.00 -2.02 0.00 0.00 58.31 55.92 1nsh n LYS 51 Cb 0.63 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.18 1nsh n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nsh s ASP 52 N -4.34 3.54 0.00 4.39 1.01 -1.26 -4.99 116.67 115.01 1nsh s ASP 52 Ca -0.06 -0.90 0.09 0.00 0.71 0.00 0.00 52.55 52.39 1nsh s ASP 52 Cb 0.04 -1.44 0.43 0.00 1.01 0.00 0.00 42.92 42.97 1nsh s ASP 52 CO 0.49 -0.09 1.21 -2.65 0.21 0.00 0.00 175.17 174.34 1nsh n PRO 53 N 4.59 0.09 0.14 8.23 -0.02 -1.26 -2.20 135.00 144.56 1nsh n PRO 53 Ca -0.18 0.25 0.12 0.00 -2.02 0.00 0.00 63.50 61.67 1nsh n PRO 53 Cb 0.47 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.51 1nsh n PRO 53 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1nsh h GLY 54 N 1.51 0.00 -0.07 -1.23 0.00 -1.97 -3.33 103.07 97.97 1nsh h GLY 54 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 1nsh h GLY 54 CO 0.00 0.00 -0.33 -2.08 0.00 0.00 0.00 176.54 174.13 1nsh h VAL 55 N 0.00 0.24 0.09 4.60 2.07 -1.74 1.15 116.25 122.66 1nsh h VAL 55 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1nsh h VAL 55 Cb 0.99 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 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 -0.31 -0.10 -2.06 2.57 6.46 -1.80 -2.99 115.31 117.08 1nsh h LEU 56 Ca 0.14 -0.39 0.10 0.00 -0.12 0.00 0.00 57.88 57.62 1nsh h LEU 56 Cb 0.54 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1nsh h LEU 56 CO -0.48 0.36 0.35 -0.78 -0.62 0.00 0.00 178.44 177.27 1nsh h ASP 57 N -0.59 0.00 0.24 1.25 3.58 -1.58 -1.41 116.42 117.91 1nsh h ASP 57 Ca -0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1nsh h ASP 57 Cb 0.48 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 1nsh h ASP 57 CO 0.02 0.00 -0.16 -0.09 -2.88 0.00 0.00 179.24 176.13 1nsh h ARG 58 N 0.00 -0.38 0.37 0.28 2.43 0.15 1.01 114.38 118.24 1nsh h ARG 58 Ca 0.17 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1nsh h ARG 58 Cb 0.87 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1nsh h ARG 58 CO -0.00 -0.25 -0.18 0.00 -1.51 0.00 0.00 179.97 178.03 1nsh h MET 59 N -0.39 -0.48 -0.24 0.20 -0.00 -1.32 0.53 114.93 113.23 1nsh h MET 59 Ca -0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 59.70 59.71 1nsh h MET 59 Cb 0.33 0.11 -0.01 0.00 -0.00 0.00 0.00 31.60 32.03 1nsh h MET 59 CO 0.02 -0.30 0.14 0.52 -0.00 0.00 0.00 176.91 177.29 1nsh h MET 60 N -0.52 0.32 0.23 -0.10 2.86 -1.41 0.86 114.93 117.16 1nsh h MET 60 Ca -0.05 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1nsh h MET 60 Cb 0.40 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.99 1nsh h MET 60 CO 0.08 0.23 -0.11 0.87 1.06 0.00 0.00 176.91 179.04 1nsh h LYS 61 N 0.33 -0.30 -0.01 1.72 1.57 0.15 -3.25 116.57 116.78 1nsh h LYS 61 Ca 0.09 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nsh h LYS 61 Cb -0.01 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1nsh h LYS 61 CO -0.02 -0.02 0.00 1.63 -0.57 0.00 0.00 179.45 180.48 1nsh n LYS 62 N -4.98 1.02 0.20 3.15 4.76 0.18 -3.89 118.16 118.61 1nsh n LYS 62 Ca -0.06 -0.03 0.13 0.00 -2.87 0.00 0.00 58.31 55.48 1nsh n LYS 62 Cb 0.21 -1.20 0.69 0.00 -1.84 0.00 0.00 35.03 32.90 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 -1.37 0.00 0.00 177.40 177.40 1nsh h LEU 63 N 0.06 0.00 -6.23 -0.35 -0.00 0.72 -3.34 115.31 106.16 1nsh h LEU 63 Ca 0.00 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.38 1nsh h LEU 63 Cb 0.01 0.00 0.05 0.00 -0.00 0.00 0.00 40.66 40.72 1nsh h LEU 63 CO 0.00 0.00 2.10 -0.67 -0.00 0.00 0.00 178.44 179.87 1nsh n ASP 64 N -2.41 2.65 -0.05 0.17 -0.08 -1.25 -4.36 116.55 111.22 1nsh n ASP 64 Ca -0.02 -2.49 -0.22 0.00 -1.51 0.00 0.00 54.79 50.56 1nsh n ASP 64 Cb 0.08 -0.95 -0.13 0.00 2.34 0.00 0.00 41.12 42.46 1nsh n ASP 64 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1nsh h LEU 65 N 12.60 0.22 -7.10 -2.67 -0.00 -1.96 -3.46 115.31 112.95 1nsh h LEU 65 Ca 0.37 -0.74 -0.49 0.00 -0.00 0.00 0.00 57.88 57.03 1nsh h LEU 65 Cb 0.47 -0.07 -0.41 0.00 -0.00 0.00 0.00 40.66 40.65 1nsh h LEU 65 CO 1.74 1.68 -0.76 0.20 -0.00 0.00 0.00 178.44 181.30 1nsh s ASN 66 N -6.96 2.68 -1.02 -0.43 0.01 -1.26 -5.05 114.94 102.90 1nsh s ASN 66 Ca -0.25 -0.77 -0.21 0.00 -0.71 0.00 0.00 52.86 50.92 1nsh s ASN 66 Cb 0.06 -0.38 -0.09 0.00 0.41 0.00 0.00 41.25 41.25 1nsh s ASN 66 CO 0.68 -0.35 1.95 -0.24 -1.51 0.00 0.00 177.10 177.64 1nsh n SER 67 N 5.19 3.06 -0.02 -1.22 2.88 -1.26 -4.27 113.62 117.99 1nsh n SER 67 Ca -0.07 -2.73 -0.02 0.00 -1.33 0.00 0.00 58.87 54.72 1nsh n SER 67 Cb 0.48 -1.41 -0.04 0.00 -0.75 0.00 0.00 64.21 62.48 1nsh n SER 67 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1nsh n ASP 68 N 9.34 3.84 0.00 -3.46 8.00 -1.26 -5.04 116.55 127.97 1nsh n ASP 68 Ca 0.49 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.99 1nsh n ASP 68 Cb 0.42 0.69 0.00 0.00 -0.02 0.00 0.00 41.12 42.21 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nsh n GLY 69 N 2.65 1.32 0.48 0.44 0.00 -1.26 -5.11 105.19 103.71 1nsh n GLY 69 Ca -0.07 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 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 1.62 0.00 1.61 1.13 -1.26 -5.08 117.38 115.40 1nsh n GLN 70 Ca 0.00 -0.49 0.00 0.00 -1.94 0.00 0.00 57.00 54.57 1nsh n GLN 70 Cb 0.00 0.16 0.00 0.00 0.11 0.00 0.00 30.24 30.51 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 -4.89 117.00 119.93 1nsh n LEU 71 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 1nsh n LEU 71 Cb 0.09 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1nsh n LEU 71 CO 0.05 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 175.03 1nsh n ASP 72 N 0.00 0.00 -0.11 -1.43 5.68 -1.26 -4.70 116.55 114.74 1nsh n ASP 72 Ca 0.00 0.00 -0.11 0.00 -0.50 0.00 0.00 54.79 54.18 1nsh n ASP 72 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 1nsh h PHE 73 N 0.00 -1.40 0.01 2.11 -5.15 -1.99 -2.55 116.94 107.97 1nsh h PHE 73 Ca 0.00 0.07 -0.22 0.00 -0.20 0.00 0.00 57.97 57.62 1nsh h PHE 73 Cb 0.00 0.65 -0.03 0.00 0.22 0.00 0.00 35.95 36.80 1nsh h PHE 73 CO 0.00 -0.41 -1.03 0.37 -2.00 0.00 0.00 178.31 175.24 1nsh h GLN 74 N -0.34 0.02 -1.30 6.09 -0.00 -1.98 -3.21 115.11 114.39 1nsh h GLN 74 Ca 0.06 -0.04 0.38 0.00 -0.00 0.00 0.00 58.65 59.04 1nsh h GLN 74 Cb 0.49 0.01 -0.06 0.00 0.00 0.00 0.00 27.48 27.92 1nsh h GLN 74 CO -0.48 1.01 0.91 0.93 0.00 0.00 0.00 178.83 181.20 1nsh h GLU 75 N 0.01 0.06 0.01 1.69 5.08 -1.80 2.75 114.58 122.38 1nsh h GLU 75 Ca -0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nsh h GLU 75 Cb 1.79 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.03 1nsh h GLU 75 CO 0.14 0.04 -0.01 0.74 -1.00 0.00 0.00 179.01 178.92 1nsh h PHE 76 N 0.06 -0.02 -0.38 4.33 0.04 -1.47 -1.83 116.94 117.67 1nsh h PHE 76 Ca 0.64 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.40 1nsh h PHE 76 Cb 2.41 0.01 -0.02 0.00 2.20 0.00 0.00 35.95 40.55 1nsh h PHE 76 CO -0.00 0.53 0.19 -0.07 -0.60 0.00 0.00 178.31 178.36 1nsh h LEU 77 N -0.99 0.46 -0.52 1.54 3.38 -0.74 -0.38 115.31 118.07 1nsh h LEU 77 Ca -0.00 -0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1nsh h LEU 77 Cb 0.56 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1nsh h LEU 77 CO 0.00 0.39 -0.64 -1.13 0.09 0.00 0.00 178.44 177.15 1nsh h ASN 78 N 0.53 0.44 0.49 -0.43 -1.24 0.46 1.12 115.58 116.95 1nsh h ASN 78 Ca 0.14 -0.27 -0.02 0.00 0.71 0.00 0.00 56.30 56.86 1nsh h ASN 78 Cb 0.04 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 38.97 1nsh h ASN 78 CO -0.02 0.97 -0.23 -0.07 -1.29 0.00 0.00 177.43 176.78 1nsh h LEU 79 N 0.28 -0.55 -0.06 0.34 4.07 -0.32 0.97 115.31 120.03 1nsh h LEU 79 Ca -0.01 -0.07 -0.15 0.00 0.08 0.00 0.00 57.88 57.73 1nsh h LEU 79 Cb 1.18 0.14 0.01 0.00 1.08 0.00 0.00 40.66 43.08 1nsh h LEU 79 CO 0.11 -0.16 -0.54 -0.29 -1.08 0.00 0.00 178.44 176.48 1nsh h ILE 80 N -1.04 1.39 -0.33 1.22 -0.00 -1.20 -2.98 117.51 114.57 1nsh h ILE 80 Ca -0.07 -1.92 0.07 0.00 -0.00 0.00 0.00 64.86 62.94 1nsh h ILE 80 Cb 0.59 2.34 -0.07 0.00 -0.00 0.00 0.00 36.82 39.68 1nsh h ILE 80 CO 0.11 0.57 -0.10 1.23 -0.00 0.00 0.00 178.15 179.96 1nsh h GLY 81 N 0.04 0.20 0.23 8.18 0.00 0.12 0.16 103.07 112.01 1nsh h GLY 81 Ca -0.05 0.13 0.19 0.00 0.00 0.00 0.00 47.33 47.61 1nsh h GLY 81 CO 0.11 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.79 1nsh h GLY 82 N -0.03 1.30 0.92 4.60 0.00 -0.82 0.28 103.07 109.31 1nsh h GLY 82 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1nsh h GLY 82 CO -0.35 -0.02 0.11 1.41 0.00 0.00 0.00 176.54 177.69 1nsh h LEU 83 N 0.59 0.50 -1.73 3.11 3.38 -0.56 -0.46 115.31 120.14 1nsh h LEU 83 Ca 0.52 -0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.41 1nsh h LEU 83 Cb 1.02 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 1nsh h LEU 83 CO -0.27 0.57 0.42 0.00 0.09 0.00 0.00 178.44 179.26 1nsh h ALA 84 N 0.95 2.19 0.00 1.53 0.00 0.18 0.98 119.26 125.09 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 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nsh h ALA 84 CO -0.00 -0.35 -0.46 0.28 0.00 0.00 0.00 179.25 178.72 1nsh h VAL 85 N 0.29 0.00 -0.24 0.00 2.07 -0.86 0.23 116.25 117.73 1nsh h VAL 85 Ca 0.30 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1nsh h VAL 85 Cb 0.77 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1nsh h VAL 85 CO -0.07 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1nsh n ALA 86 N -1.98 2.27 0.00 1.67 0.00 0.75 -3.15 120.51 120.06 1nsh n ALA 86 Ca 0.03 -1.37 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1nsh n ALA 86 Cb 0.49 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 3.03 -0.83 0.00 3.76 0.80 -4.93 115.29 116.11 1nsh s HIS 88 Ca 0.00 0.22 -0.23 0.00 -0.15 0.00 0.00 55.06 54.90 1nsh s HIS 88 Cb 0.00 -2.69 -0.17 0.00 1.11 0.00 0.00 32.58 30.82 1nsh s HIS 88 CO 0.00 -0.80 2.36 -0.85 -0.85 0.00 0.00 174.74 174.60 1nsh n GLU 89 N -2.39 0.45 0.00 1.40 0.28 -1.25 -4.44 120.64 114.69 1nsh n GLU 89 Ca 0.06 -0.75 0.00 0.00 -0.16 0.00 0.00 57.16 56.31 1nsh n GLU 89 Cb 0.59 -3.27 0.00 0.00 1.43 0.00 0.00 31.44 30.19 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1nsh n SER 90 N 16.66 0.00 0.00 -1.84 7.64 -1.26 -4.98 113.62 129.85 1nsh n SER 90 Ca 0.50 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.38 1nsh n SER 90 Cb 0.39 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 0.00 0.00 -0.47 1.43 7.35 -1.26 -4.18 117.46 120.33 1nsh n PHE 91 Ca 0.00 0.00 0.42 0.00 -0.76 0.00 0.00 57.45 57.11 1nsh n PHE 91 Cb 0.00 0.00 0.77 0.00 0.35 0.00 0.00 39.48 40.60 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.39 -0.76 0.00 0.00 176.76 175.61 1nsh h VAL 92 N 0.00 0.21 0.16 -2.13 -1.51 -1.77 0.91 116.25 112.12 1nsh h VAL 92 Ca 0.00 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 65.12 1nsh h VAL 92 Cb 0.00 0.22 -0.00 0.00 -2.13 0.00 0.00 31.29 29.38 1nsh h VAL 92 CO 0.00 0.00 -1.82 0.50 -1.23 0.00 0.00 177.57 175.02 1nsh h LYS 93 N 0.00 0.34 -0.90 5.19 3.64 -1.89 -3.35 116.57 119.59 1nsh h LYS 93 Ca 0.71 -0.59 -0.44 0.00 -1.27 0.00 0.00 60.65 59.06 1nsh h LYS 93 Cb 2.92 0.22 -0.26 0.00 -0.41 0.00 0.00 32.23 34.69 1nsh h LYS 93 CO -0.01 1.27 0.53 0.00 -2.27 0.00 0.00 179.45 178.97 1nsh n ALA 94 N -2.89 5.33 0.06 5.00 0.00 0.16 -4.63 120.51 123.54 1nsh n ALA 94 Ca -0.26 -2.82 -0.03 0.00 0.00 0.00 0.00 53.44 50.33 1nsh n ALA 94 Cb 1.07 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 19.14 1nsh n ALA 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh h ALA 95 N 1.31 -0.40 -0.95 0.00 0.00 0.40 -3.35 119.26 116.27 1nsh h ALA 95 Ca 0.54 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.54 1nsh h ALA 95 Cb 2.69 0.08 -0.14 0.00 0.00 0.00 0.00 17.79 20.41 1nsh h ALA 95 CO 0.99 -0.38 -0.42 -0.35 0.00 0.00 0.00 179.25 179.09 1nsh n PRO 96 N -3.29 -0.27 -0.35 0.00 -0.04 -1.26 -0.41 135.00 129.38 1nsh n PRO 96 Ca -0.02 1.46 0.29 0.00 -0.04 0.00 0.00 63.50 65.19 1nsh n PRO 96 Cb 0.08 -2.17 0.55 0.00 -0.04 0.00 0.00 33.50 31.92 1nsh n PRO 96 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1nsh h PRO 97 N 0.00 0.17 -0.47 0.54 0.11 -1.90 0.80 132.00 131.25 1nsh h PRO 97 Ca 0.29 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 66.49 1nsh h PRO 97 Cb 0.53 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1nsh h PRO 97 CO -0.94 0.11 0.32 0.37 -0.21 0.00 0.00 178.00 177.66 1nsh h GLN 98 N 0.17 0.20 0.00 1.05 5.75 -0.87 -3.47 115.11 117.95 1nsh h GLN 98 Ca 0.79 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 59.28 1nsh h GLN 98 Cb 2.03 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.53 1nsh h GLN 98 CO -0.62 0.14 0.00 1.17 -2.65 0.00 0.00 178.83 176.86 1nsh n LYS 99 N -4.45 0.00 -4.05 1.69 4.81 0.28 -4.99 118.16 111.44 1nsh n LYS 99 Ca 0.07 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.39 1nsh n LYS 99 Cb 0.39 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.39 1nsh n LYS 99 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1nsh s ARG 100 N 0.00 1.74 0.00 1.64 1.70 -1.26 -5.03 118.95 117.74 1nsh s ARG 100 Ca 0.00 -1.55 0.02 0.00 -0.47 0.00 0.00 55.73 53.73 1nsh s ARG 100 Cb 0.00 0.45 0.15 0.00 -0.57 0.00 0.00 34.95 34.98 1nsh s ARG 100 CO 0.00 -0.72 0.63 0.34 -1.08 0.00 0.00 175.30 174.47