#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 -1.79 0.00 -1.46 5.12 -1.26 -5.03 116.66 112.24 1nsh n ARG 2 Ca 0.00 1.11 0.00 0.00 -1.93 0.00 0.00 57.85 57.03 1nsh n ARG 2 Cb 0.00 -5.65 0.00 0.00 -1.16 0.00 0.00 32.46 25.65 1nsh n ARG 2 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 1nsh n PRO 3 N -2.66 0.00 -3.55 5.56 -0.02 -1.26 -4.98 135.00 128.09 1nsh n PRO 3 Ca -0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.17 1nsh n PRO 3 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 34.03 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 5.14 0.25 3.45 -1.32 -1.26 -4.96 115.64 116.94 1nsh s THR 4 Ca 0.00 -0.37 -0.07 0.00 -1.21 0.00 0.00 61.69 60.05 1nsh s THR 4 Cb 0.00 -3.78 0.31 0.00 -1.51 0.00 0.00 72.50 67.52 1nsh s THR 4 CO 0.00 -0.34 1.62 -0.08 -2.21 0.00 0.00 174.62 173.61 1nsh h GLU 5 N 1.48 0.06 -0.25 7.08 4.22 -2.01 0.43 114.58 125.60 1nsh h GLU 5 Ca -0.49 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 58.86 1nsh h GLU 5 Cb 1.20 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 1nsh h GLU 5 CO 0.65 0.04 -0.24 1.15 -2.18 0.00 0.00 179.01 178.43 1nsh h THR 6 N 0.07 1.26 -0.65 0.32 2.02 -1.99 -2.98 112.91 110.96 1nsh h THR 6 Ca 0.43 -1.24 0.12 0.00 0.77 0.00 0.00 66.41 66.50 1nsh h THR 6 Cb 0.77 1.34 -0.09 0.00 -1.74 0.00 0.00 68.15 68.43 1nsh h THR 6 CO -0.74 0.39 0.19 -0.33 0.37 0.00 0.00 175.52 175.40 1nsh h GLU 7 N 0.41 0.32 0.00 6.66 4.39 -0.51 0.46 114.58 126.31 1nsh h GLU 7 Ca 0.06 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1nsh h GLU 7 Cb 0.65 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1nsh h GLU 7 CO 0.05 0.21 -0.26 -0.09 -1.16 0.00 0.00 179.01 177.75 1nsh h ARG 8 N 0.33 0.00 0.42 2.33 2.43 -1.33 -3.06 114.38 115.50 1nsh h ARG 8 Ca 0.34 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.49 1nsh h ARG 8 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1nsh h ARG 8 CO -0.39 0.26 -0.20 0.00 -1.51 0.00 0.00 179.97 178.13 1nsh h ILE 10 N -1.10 0.17 -0.59 0.00 5.03 -1.01 0.77 117.51 120.78 1nsh h ILE 10 Ca -0.06 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.85 1nsh h ILE 10 Cb 0.49 0.17 -0.02 0.00 -3.03 0.00 0.00 36.82 34.43 1nsh h ILE 10 CO 0.10 0.00 0.54 -0.33 -0.68 0.00 0.00 178.15 177.77 1nsh h GLU 11 N -0.37 0.00 0.54 2.37 5.08 -1.66 -1.99 114.58 118.55 1nsh h GLU 11 Ca 0.12 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.45 1nsh h GLU 11 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1nsh h GLU 11 CO -0.48 0.00 -0.26 0.77 -1.00 0.00 0.00 179.01 178.04 1nsh h SER 12 N 0.00 -0.61 0.98 1.42 0.02 -0.78 -2.59 113.55 111.99 1nsh h SER 12 Ca 0.28 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1nsh h SER 12 Cb 1.35 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 1nsh h SER 12 CO -0.00 -0.37 -0.63 -0.07 -1.14 0.00 0.00 176.83 174.62 1nsh h LEU 13 N -0.83 0.00 -0.75 5.07 -0.00 -1.37 -3.01 115.31 114.42 1nsh h LEU 13 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.70 1nsh h LEU 13 Cb 0.60 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.24 1nsh h LEU 13 CO 0.12 0.63 -0.17 0.40 -0.00 0.00 0.00 178.44 179.42 1nsh h ILE 14 N 0.00 1.26 0.02 1.22 2.04 -1.42 -3.13 117.51 117.50 1nsh h ILE 14 Ca -0.01 -1.26 -0.21 0.00 1.00 0.00 0.00 64.86 64.39 1nsh h ILE 14 Cb 1.29 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 1nsh h ILE 14 CO 0.08 0.42 -0.93 0.00 0.00 0.00 0.00 178.15 177.73 1nsh h ALA 15 N 1.12 0.46 -0.97 1.87 0.00 -1.48 -1.28 119.26 118.99 1nsh h ALA 15 Ca 0.10 -0.76 0.18 0.00 0.00 0.00 0.00 54.91 54.44 1nsh h ALA 15 Cb 0.67 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1nsh h ALA 15 CO 0.05 0.96 0.61 -0.39 0.00 0.00 0.00 179.25 180.48 1nsh h VAL 16 N 0.09 0.73 0.11 0.00 -1.51 -1.47 0.43 116.25 114.63 1nsh h VAL 16 Ca -0.05 -0.23 -0.01 0.00 -1.23 0.00 0.00 66.70 65.18 1nsh h VAL 16 Cb 1.58 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1nsh h VAL 16 CO 0.14 0.12 -0.05 0.15 -1.23 0.00 0.00 177.57 176.70 1nsh h PHE 17 N 0.68 -0.14 -0.61 5.19 3.57 -1.57 -3.31 116.94 120.75 1nsh h PHE 17 Ca 0.53 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.20 1nsh h PHE 17 Cb 0.93 0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 1nsh h PHE 17 CO -0.00 0.05 0.68 1.96 -2.23 0.00 0.00 178.31 178.77 1nsh h GLN 18 N -1.02 0.00 0.18 1.11 1.08 -0.58 1.19 115.11 117.07 1nsh h GLN 18 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 1nsh h GLN 18 Cb 0.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.68 1nsh h GLN 18 CO 0.03 0.00 -0.09 -0.22 -0.95 0.00 0.00 178.83 177.60 1nsh h LYS 19 N 0.00 -0.23 0.23 1.46 1.63 -0.25 1.14 116.57 120.55 1nsh h LYS 19 Ca 0.29 0.02 -0.34 0.00 -0.85 0.00 0.00 60.65 59.77 1nsh h LYS 19 Cb 1.64 0.05 0.03 0.00 -0.60 0.00 0.00 32.23 33.35 1nsh h LYS 19 CO -0.00 0.11 -1.55 1.88 -3.45 0.00 0.00 179.45 176.44 1nsh h TYR 20 N -0.60 0.87 0.00 1.91 -1.99 -1.30 -3.31 116.97 112.54 1nsh h TYR 20 Ca -0.02 -0.64 -0.09 0.00 2.00 0.00 0.00 58.73 59.98 1nsh h TYR 20 Cb 0.45 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 1nsh h TYR 20 CO 0.04 1.57 -0.41 0.00 -0.00 0.00 0.00 178.16 179.36 1nsh h ALA 21 N 0.18 1.10 -3.22 3.88 0.00 0.13 -3.43 119.26 117.90 1nsh h ALA 21 Ca -0.27 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.68 1nsh h ALA 21 Cb 2.14 -0.07 -0.35 0.00 0.00 0.00 0.00 17.79 19.51 1nsh h ALA 21 CO 0.24 0.52 -0.83 0.20 0.00 0.00 0.00 179.25 179.38 1nsh s GLY 22 N -4.36 1.03 0.00 0.00 0.00 0.39 -4.44 107.32 99.94 1nsh s GLY 22 Ca -0.01 -0.74 0.15 0.00 0.00 0.00 0.00 44.72 44.11 1nsh s GLY 22 CO 0.71 0.37 1.08 1.17 0.00 0.00 0.00 173.10 176.42 1nsh n LYS 23 N 4.42 0.00 -1.10 2.90 0.00 -1.26 -4.32 118.16 118.80 1nsh n LYS 23 Ca -0.18 -1.53 -0.04 0.00 0.00 0.00 0.00 58.31 56.56 1nsh n LYS 23 Cb 0.51 0.15 -0.02 0.00 0.00 0.00 0.00 35.03 35.67 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 0.28 -0.75 0.00 3.14 5.68 -1.26 -5.03 116.55 118.61 1nsh n ASP 24 Ca -0.07 -1.47 0.00 0.00 -0.50 0.00 0.00 54.79 52.76 1nsh n ASP 24 Cb 0.95 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 41.18 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 -0.19 2.33 3.84 6.12 0.00 -1.26 -4.99 105.19 111.04 1nsh n GLY 25 Ca -0.18 -0.47 -0.32 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 3.39 -0.30 1.61 3.76 -1.26 -5.05 115.29 117.44 1nsh s HIS 26 Ca 0.00 1.47 -0.07 0.00 -0.15 0.00 0.00 55.06 56.31 1nsh s HIS 26 Cb 0.00 -2.82 0.16 0.00 1.11 0.00 0.00 32.58 31.03 1nsh s HIS 26 CO 0.00 -0.48 0.70 -1.54 -0.85 0.00 0.00 174.74 172.58 1nsh s SER 27 N -3.05 -1.12 0.00 1.40 1.04 -1.26 -4.19 113.70 106.52 1nsh s SER 27 Ca 0.59 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.13 1nsh s SER 27 Cb -0.11 2.10 0.00 0.00 0.10 0.00 0.00 66.02 68.11 1nsh s SER 27 CO 0.32 -0.21 0.00 0.55 0.98 0.00 0.00 173.24 174.88 1nsh n VAL 28 N 5.39 0.00 -4.13 5.02 3.14 -1.26 -4.99 118.33 121.49 1nsh n VAL 28 Ca -0.07 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.18 1nsh n VAL 28 Cb 0.51 -0.25 -0.11 0.00 -1.06 0.00 0.00 33.84 32.93 1nsh n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1nsh s THR 29 N -1.41 0.72 0.00 1.55 -4.23 -1.26 -3.89 115.64 107.13 1nsh s THR 29 Ca 0.00 -1.52 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 1nsh s THR 29 Cb 0.00 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1nsh s THR 29 CO 0.00 -0.59 0.00 -0.11 -0.54 0.00 0.00 174.62 173.38 1nsh n LEU 30 N 0.71 0.00 -3.64 4.79 0.00 -1.26 -4.64 117.00 112.96 1nsh n LEU 30 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 56.01 55.78 1nsh n LEU 30 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 43.93 1nsh n LEU 30 CO 0.25 0.00 0.67 -0.55 0.00 0.00 0.00 177.39 177.77 1nsh s SER 31 N 0.10 -0.52 0.31 1.96 0.15 -1.26 -2.69 113.70 111.75 1nsh s SER 31 Ca 0.00 0.90 0.08 0.00 0.70 0.00 0.00 55.95 57.62 1nsh s SER 31 Cb 0.00 1.10 0.81 0.00 -1.71 0.00 0.00 66.02 66.22 1nsh s SER 31 CO 0.00 -0.15 1.75 0.07 1.20 0.00 0.00 173.24 176.12 1nsh h LYS 32 N 5.43 0.65 -0.14 5.44 5.09 -1.95 -0.08 116.57 131.01 1nsh h LYS 32 Ca -0.28 -0.04 -0.05 0.00 0.09 0.00 0.00 60.65 60.37 1nsh h LYS 32 Cb 1.19 -0.15 -0.00 0.00 0.10 0.00 0.00 32.23 33.37 1nsh h LYS 32 CO 0.16 0.43 -0.11 1.15 -2.09 0.00 0.00 179.45 178.99 1nsh h THR 33 N 0.67 1.33 -0.22 0.07 2.02 -2.01 -2.86 112.91 111.92 1nsh h THR 33 Ca 0.61 -1.22 0.06 0.00 0.77 0.00 0.00 66.41 66.64 1nsh h THR 33 Cb 1.06 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 69.29 1nsh h THR 33 CO -0.43 0.36 0.16 -0.33 0.37 0.00 0.00 175.52 175.65 1nsh h GLU 34 N -0.03 0.00 0.00 6.66 5.08 -1.48 0.23 114.58 125.04 1nsh h GLU 34 Ca 0.03 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 1nsh h GLU 34 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1nsh h GLU 34 CO 0.03 0.00 -0.44 0.35 -1.00 0.00 0.00 179.01 177.95 1nsh h PHE 35 N 0.00 0.00 0.13 4.33 3.04 -0.88 -3.17 116.94 120.40 1nsh h PHE 35 Ca 0.10 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.07 1nsh h PHE 35 Cb 0.42 0.00 -0.05 0.00 2.56 0.00 0.00 35.95 38.89 1nsh h PHE 35 CO 0.00 0.44 -0.49 -0.07 -2.02 0.00 0.00 178.31 176.17 1nsh h LEU 36 N 0.00 -1.47 -0.38 0.59 -0.00 -0.34 0.21 115.31 113.92 1nsh h LEU 36 Ca -0.00 0.16 0.04 0.00 -0.00 0.00 0.00 57.88 58.07 1nsh h LEU 36 Cb 0.80 0.54 -0.04 0.00 -0.00 0.00 0.00 40.66 41.97 1nsh h LEU 36 CO 0.06 -0.54 0.16 -1.28 -0.00 0.00 0.00 178.44 176.83 1nsh h SER 37 N -0.73 0.20 -0.02 -0.43 0.87 -1.60 0.16 113.55 112.00 1nsh h SER 37 Ca 0.00 0.03 0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1nsh h SER 37 Cb 0.74 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 1nsh h SER 37 CO -0.27 0.15 -0.08 0.15 -0.53 0.00 0.00 176.83 176.25 1nsh h PHE 38 N 0.33 -0.20 -0.06 2.24 3.04 -1.44 -0.37 116.94 120.47 1nsh h PHE 38 Ca 0.17 0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.09 1nsh h PHE 38 Cb 0.12 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1nsh h PHE 38 CO -0.13 -0.12 -0.13 1.98 -2.02 0.00 0.00 178.31 177.89 1nsh h MET 39 N -0.13 0.09 0.00 1.11 4.05 -0.31 0.68 114.93 120.42 1nsh h MET 39 Ca 0.04 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 1nsh h MET 39 Cb 0.18 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 1nsh h MET 39 CO -0.09 0.23 0.00 -0.91 0.23 0.00 0.00 176.91 176.37 1nsh h ASN 40 N 0.09 0.00 0.00 1.39 2.35 0.23 0.59 115.58 120.24 1nsh h ASN 40 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1nsh h ASN 40 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 1nsh h ASN 40 CO 0.02 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.15 1nsh n THR 41 N -3.07 0.00 -0.35 2.81 -2.24 -0.24 -4.28 114.28 106.92 1nsh n THR 41 Ca 0.02 0.00 0.24 0.00 -2.27 0.00 0.00 64.05 62.04 1nsh n THR 41 Cb 0.38 -0.51 0.49 0.00 -2.10 0.00 0.00 70.33 68.60 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 0.34 -1.31 -0.78 4.39 0.08 -2.07 114.58 115.22 1nsh h GLU 42 Ca 0.00 -0.02 -0.47 0.00 0.34 0.00 0.00 59.36 59.21 1nsh h GLU 42 Cb 0.00 -0.08 -0.41 0.00 -0.10 0.00 0.00 28.75 28.16 1nsh h GLU 42 CO 0.00 0.23 -0.98 1.28 -1.16 0.00 0.00 179.01 178.38 1nsh n LEU 43 N -4.87 2.93 0.10 1.33 4.77 -0.69 -4.84 117.00 115.72 1nsh n LEU 43 Ca 0.30 -4.49 -0.16 0.00 -0.03 0.00 0.00 56.01 51.63 1nsh n LEU 43 Cb 0.98 0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.96 1nsh n LEU 43 CO 0.16 1.91 -0.10 0.00 -1.33 0.00 0.00 177.39 178.03 1nsh h ALA 44 N 2.82 0.12 -0.15 -1.18 0.00 -0.12 -3.26 119.26 117.48 1nsh h ALA 44 Ca 0.09 -0.93 0.04 0.00 0.00 0.00 0.00 54.91 54.12 1nsh h ALA 44 Cb 1.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1nsh h ALA 44 CO 0.66 1.00 0.18 0.00 0.00 0.00 0.00 179.25 181.09 1nsh h ALA 45 N 0.56 1.73 -0.40 0.00 0.00 -1.83 0.83 119.26 120.14 1nsh h ALA 45 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nsh h ALA 45 Cb 1.99 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1nsh h ALA 45 CO 0.20 -0.26 0.00 1.19 0.00 0.00 0.00 179.25 180.38 1nsh n PHE 46 N -3.73 0.94 0.00 0.00 3.01 -1.23 -4.23 117.46 112.21 1nsh n PHE 46 Ca 0.01 -0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.10 1nsh n PHE 46 Cb 0.30 -0.18 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 0.25 1.01 0.00 0.00 176.76 178.02 1nsh n THR 47 N 0.59 0.00 -1.56 4.37 -2.24 0.11 -4.75 114.28 110.80 1nsh n THR 47 Ca 0.16 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.71 1nsh n THR 47 Cb 0.60 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.62 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 -1.80 0.77 -2.81 -0.78 2.85 0.25 -3.68 118.16 112.95 1nsh n LYS 48 Ca 0.00 -0.49 -0.04 0.00 -1.05 0.00 0.00 58.31 56.73 1nsh n LYS 48 Cb 0.02 -3.59 0.01 0.00 -0.65 0.00 0.00 35.03 30.82 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1nsh n ASN 49 N 17.55 -7.91 -4.18 -5.58 3.02 -1.26 -4.91 115.26 111.99 1nsh n ASN 49 Ca 0.43 1.01 -0.28 0.00 -0.03 0.00 0.00 54.58 55.70 1nsh n ASN 49 Cb 0.48 -5.15 -0.16 0.00 -0.61 0.00 0.00 39.78 34.34 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 -2.02 2.12 0.57 3.52 -1.52 -1.24 -5.01 119.66 116.07 1nsh s GLN 50 Ca 0.11 -0.72 0.25 0.00 -1.95 0.00 0.00 55.36 53.05 1nsh s GLN 50 Cb -0.03 -1.80 1.59 0.00 -0.22 0.00 0.00 33.01 32.55 1nsh s GLN 50 CO 0.76 0.28 2.15 -0.22 -0.25 0.00 0.00 175.29 178.01 1nsh h LYS 51 N 6.24 0.00 -4.26 2.91 3.64 -1.96 -3.36 116.57 119.78 1nsh h LYS 51 Ca -0.31 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.32 1nsh h LYS 51 Cb 1.18 0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.77 1nsh h LYS 51 CO 0.47 0.00 -0.31 -0.51 -2.27 0.00 0.00 179.45 176.84 1nsh s ASP 52 N -6.27 6.14 0.00 4.20 1.11 -1.26 -4.92 116.67 115.66 1nsh s ASP 52 Ca -0.05 -1.44 0.15 0.00 0.18 0.00 0.00 52.55 51.39 1nsh s ASP 52 Cb 0.16 -2.18 0.85 0.00 1.07 0.00 0.00 42.92 42.82 1nsh s ASP 52 CO 0.60 -0.69 1.55 -0.81 1.18 0.00 0.00 175.17 177.00 1nsh n PRO 53 N 5.20 1.09 -0.00 8.23 -0.04 -1.26 -3.35 135.00 144.88 1nsh n PRO 53 Ca -0.13 -0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.27 1nsh n PRO 53 Cb 0.43 -1.25 -0.10 0.00 -0.04 0.00 0.00 33.50 32.54 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 0.78 -0.57 0.49 0.55 0.00 -1.26 -4.32 105.19 100.85 1nsh n GLY 54 Ca 0.12 -0.45 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 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 0.00 0.01 0.10 1.61 2.07 -1.82 0.84 116.25 119.07 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 0.46 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1nsh h VAL 55 CO 0.00 0.00 -0.05 0.25 0.02 0.00 0.00 177.57 177.79 1nsh h LEU 56 N -0.87 -0.12 -2.08 2.57 6.46 -1.83 -2.94 115.31 116.49 1nsh h LEU 56 Ca -0.03 -0.32 0.10 0.00 -0.12 0.00 0.00 57.88 57.50 1nsh h LEU 56 Cb 0.82 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.76 1nsh h LEU 56 CO -0.19 0.27 0.32 -0.78 -0.62 0.00 0.00 178.44 177.44 1nsh h ASP 57 N -0.53 0.00 -0.24 1.25 1.82 -1.73 -0.98 116.42 116.00 1nsh h ASP 57 Ca -0.01 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.62 1nsh h ASP 57 Cb 0.43 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1nsh h ASP 57 CO 0.02 0.00 0.13 0.03 -1.61 0.00 0.00 179.24 177.81 1nsh h ARG 58 N 0.00 0.34 0.21 0.28 3.08 0.91 0.36 114.38 119.56 1nsh h ARG 58 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1nsh h ARG 58 Cb 0.79 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1nsh h ARG 58 CO -0.00 0.33 -0.10 0.00 -1.07 0.00 0.00 179.97 179.13 1nsh h MET 59 N 0.27 -0.27 -0.00 0.04 -0.00 -1.23 -3.06 114.93 110.68 1nsh h MET 59 Ca 0.08 0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.80 1nsh h MET 59 Cb 0.09 0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1nsh h MET 59 CO -0.01 0.11 0.00 0.52 -0.00 0.00 0.00 176.91 177.53 1nsh h MET 60 N -0.74 0.00 0.95 -0.10 2.86 -1.44 0.66 114.93 117.12 1nsh h MET 60 Ca -0.03 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1nsh h MET 60 Cb 0.50 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.17 1nsh h MET 60 CO 0.05 0.00 -0.46 0.87 1.06 0.00 0.00 176.91 178.43 1nsh h LYS 61 N 0.00 -1.23 -0.00 1.72 1.57 -0.18 -2.94 116.57 115.51 1nsh h LYS 61 Ca 0.00 0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1nsh h LYS 61 Cb 0.01 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1nsh h LYS 61 CO -0.00 -0.82 -0.01 1.17 -0.57 0.00 0.00 179.45 179.22 1nsh n LYS 62 N -5.62 0.40 -0.01 3.15 0.00 -1.06 -3.38 118.16 111.63 1nsh n LYS 62 Ca -0.16 -0.01 0.07 0.00 0.00 0.00 0.00 58.31 58.21 1nsh n LYS 62 Cb 0.50 -1.50 0.37 0.00 0.00 0.00 0.00 35.03 34.40 1nsh n LYS 62 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 1nsh n LEU 63 N -1.29 0.23 -4.51 3.14 0.00 0.20 -4.77 117.00 110.00 1nsh n LEU 63 Ca 0.14 -0.10 -0.13 0.00 0.00 0.00 0.00 56.01 55.92 1nsh n LEU 63 Cb 0.25 -0.02 -0.10 0.00 0.00 0.00 0.00 43.42 43.55 1nsh n LEU 63 CO 0.24 0.05 1.21 -0.67 0.00 0.00 0.00 177.39 178.22 1nsh n ASP 64 N -0.56 0.92 -4.64 1.96 2.03 -1.22 -4.85 116.55 110.19 1nsh n ASP 64 Ca 0.10 -1.81 -0.43 0.00 0.52 0.00 0.00 54.79 53.18 1nsh n ASP 64 Cb 0.08 -1.48 -0.02 0.00 -0.72 0.00 0.00 41.12 38.97 1nsh n ASP 64 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1nsh s LEU 65 N 13.10 3.99 -0.10 -2.67 2.01 -1.26 -4.85 118.68 128.90 1nsh s LEU 65 Ca 0.83 1.49 -0.01 0.00 0.01 0.00 0.00 54.13 56.45 1nsh s LEU 65 Cb -0.15 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.45 1nsh s LEU 65 CO 0.16 -1.03 -0.10 -3.20 1.01 0.00 0.00 176.35 173.20 1nsh n ASN 66 N 7.52 2.49 -4.97 2.29 2.85 -1.26 -4.90 115.26 119.27 1nsh n ASN 66 Ca 0.16 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.42 1nsh n ASN 66 Cb 0.46 -0.20 -0.02 0.00 1.24 0.00 0.00 39.78 41.26 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1nsh s SER 67 N -5.25 6.24 0.00 1.20 0.15 -1.26 -4.54 113.70 110.25 1nsh s SER 67 Ca -0.14 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1nsh s SER 67 Cb 0.04 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.63 1nsh s SER 67 CO 0.21 -0.15 0.00 0.47 1.20 0.00 0.00 173.24 174.97 1nsh n ASP 68 N -1.47 0.00 0.00 5.45 8.00 -1.26 -4.17 116.55 123.10 1nsh n ASP 68 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 1nsh n ASP 68 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.00 1.05 3.64 0.44 0.00 -1.26 -5.08 105.19 103.98 1nsh n GLY 69 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 1nsh n GLY 69 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nsh s GLN 70 N -1.07 1.55 0.00 1.61 -1.52 -1.26 -5.09 119.66 113.89 1nsh s GLN 70 Ca 0.00 -1.01 0.00 0.00 -1.95 0.00 0.00 55.36 52.40 1nsh s GLN 70 Cb 0.00 0.53 0.00 0.00 -0.22 0.00 0.00 33.01 33.32 1nsh s GLN 70 CO 0.00 -0.67 0.00 1.28 -0.25 0.00 0.00 175.29 175.65 1nsh n LEU 71 N -0.39 0.00 0.00 2.90 7.99 -1.10 -4.89 117.00 121.51 1nsh n LEU 71 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.94 1nsh n LEU 71 Cb 0.61 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1nsh n LEU 71 CO 0.18 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.39 1nsh n ASP 72 N 0.00 0.00 -0.02 -1.43 2.03 -1.26 -4.60 116.55 111.27 1nsh n ASP 72 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 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 -0.07 0.00 -0.67 -0.00 -1.99 -3.35 116.94 110.87 1nsh h PHE 73 Ca 0.00 -0.00 -0.19 0.00 -0.00 0.00 0.00 57.97 57.78 1nsh h PHE 73 Cb 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 35.95 35.95 1nsh h PHE 73 CO 0.00 0.41 -0.89 0.37 -0.00 0.00 0.00 178.31 178.19 1nsh h GLN 74 N -0.96 0.02 -1.36 6.09 5.75 -1.96 -3.19 115.11 119.50 1nsh h GLN 74 Ca -0.01 -0.03 0.40 0.00 -0.15 0.00 0.00 58.65 58.86 1nsh h GLN 74 Cb 0.51 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.98 1nsh h GLN 74 CO 0.01 0.90 0.93 0.93 -2.65 0.00 0.00 178.83 178.95 1nsh h GLU 75 N 0.01 0.10 0.00 1.69 5.08 -1.93 2.58 114.58 122.11 1nsh h GLU 75 Ca -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1nsh h GLU 75 Cb 1.57 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.80 1nsh h GLU 75 CO 0.12 0.07 -0.04 0.35 -1.00 0.00 0.00 179.01 178.50 1nsh h PHE 76 N 0.10 0.00 -0.61 4.33 3.04 -1.68 0.71 116.94 122.84 1nsh h PHE 76 Ca 0.72 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.78 1nsh h PHE 76 Cb 2.52 0.00 -0.04 0.00 2.56 0.00 0.00 35.95 40.99 1nsh h PHE 76 CO -0.00 0.57 0.41 -0.07 -2.02 0.00 0.00 178.31 177.20 1nsh h LEU 77 N -1.00 0.33 0.00 0.59 3.38 -0.73 1.09 115.31 118.98 1nsh h LEU 77 Ca -0.01 0.01 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1nsh h LEU 77 Cb 0.58 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.29 1nsh h LEU 77 CO -0.01 0.20 -1.06 -1.13 0.09 0.00 0.00 178.44 176.53 1nsh h ASN 78 N 0.37 0.89 0.61 -0.43 -1.24 0.42 1.29 115.58 117.50 1nsh h ASN 78 Ca 0.28 -0.72 -0.03 0.00 0.71 0.00 0.00 56.30 56.54 1nsh h ASN 78 Cb 0.62 -0.27 0.01 0.00 0.73 0.00 0.00 38.32 39.40 1nsh h ASN 78 CO -0.08 1.53 -0.29 -0.07 -1.29 0.00 0.00 177.43 177.23 1nsh h LEU 79 N 0.37 -0.70 -0.12 0.34 4.07 0.18 -0.65 115.31 118.80 1nsh h LEU 79 Ca -0.13 -0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.66 1nsh h LEU 79 Cb 1.72 0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.64 1nsh h LEU 79 CO 0.21 -0.36 -0.45 -0.29 -1.08 0.00 0.00 178.44 176.47 1nsh h ILE 80 N -1.05 1.36 -0.34 1.22 -0.00 0.97 -3.17 117.51 116.50 1nsh h ILE 80 Ca -0.08 -1.75 0.07 0.00 -0.00 0.00 0.00 64.86 63.09 1nsh h ILE 80 Cb 0.68 2.12 -0.07 0.00 -0.00 0.00 0.00 36.82 39.55 1nsh h ILE 80 CO 0.14 0.53 -0.10 1.23 -0.00 0.00 0.00 178.15 179.94 1nsh h GLY 81 N 0.13 0.22 0.25 8.18 0.00 0.16 0.16 103.07 112.17 1nsh h GLY 81 Ca -0.02 0.14 0.21 0.00 0.00 0.00 0.00 47.33 47.65 1nsh h GLY 81 CO 0.09 -0.14 0.61 -1.33 0.00 0.00 0.00 176.54 175.77 1nsh h GLY 82 N -0.03 0.98 0.95 4.60 0.00 -1.15 0.12 103.07 108.54 1nsh h GLY 82 Ca 0.17 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1nsh h GLY 82 CO -0.37 -0.02 0.17 1.41 0.00 0.00 0.00 176.54 177.73 1nsh h LEU 83 N 0.44 0.44 -1.46 3.11 3.38 -0.68 -0.58 115.31 119.96 1nsh h LEU 83 Ca 0.49 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.46 1nsh h LEU 83 Cb 1.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 1nsh h LEU 83 CO -0.20 0.43 0.50 0.00 0.09 0.00 0.00 178.44 179.26 1nsh h ALA 84 N 1.03 1.93 0.00 1.53 0.00 -0.14 1.34 119.26 124.94 1nsh h ALA 84 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nsh h ALA 84 Cb 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nsh h ALA 84 CO -0.02 -0.11 -0.09 0.28 0.00 0.00 0.00 179.25 179.31 1nsh h VAL 85 N 0.57 0.00 -0.09 0.00 2.07 -0.89 0.40 116.25 118.31 1nsh h VAL 85 Ca 0.36 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1nsh h VAL 85 Cb 0.63 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1nsh h VAL 85 CO -0.13 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.46 1nsh n ALA 86 N -1.94 2.30 0.00 1.67 0.00 0.88 -1.64 120.51 121.78 1nsh n ALA 86 Ca 0.04 -1.90 0.00 0.00 0.00 0.00 0.00 53.44 51.59 1nsh n ALA 86 Cb 0.48 -0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.35 1.96 -1.37 0.00 8.25 0.14 -4.86 115.22 118.98 1nsh n HIS 88 Ca 0.00 -1.20 -0.13 0.00 -0.26 0.00 0.00 57.72 56.12 1nsh n HIS 88 Cb 0.00 -0.65 -0.06 0.00 1.12 0.00 0.00 29.99 30.40 1nsh n HIS 88 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1nsh n GLU 89 N -0.38 -1.64 -0.02 -0.41 4.71 -1.23 -4.85 120.64 116.83 1nsh n GLU 89 Ca 0.36 0.95 -0.13 0.00 -0.01 0.00 0.00 57.16 58.33 1nsh n GLU 89 Cb 1.22 -5.35 -0.10 0.00 -1.01 0.00 0.00 31.44 26.20 1nsh n GLU 89 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 1nsh h SER 90 N 0.00 -0.03 0.00 1.62 0.87 -1.74 -3.27 113.55 111.01 1nsh h SER 90 Ca -0.27 -0.60 -0.13 0.00 -1.23 0.00 0.00 61.79 59.55 1nsh h SER 90 Cb 1.20 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.14 1nsh h SER 90 CO 0.40 0.60 -1.51 0.49 -0.53 0.00 0.00 176.83 176.28 1nsh n PHE 91 N -4.80 0.00 0.26 2.24 3.01 -0.78 -4.56 117.46 112.82 1nsh n PHE 91 Ca -0.09 0.00 0.16 0.00 1.01 0.00 0.00 57.45 58.53 1nsh n PHE 91 Cb 0.31 -0.35 0.88 0.00 -0.01 0.00 0.00 39.48 40.31 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.39 1.01 0.00 0.00 176.76 177.38 1nsh h VAL 92 N 0.00 0.51 -0.00 -4.37 -1.51 -1.54 0.19 116.25 109.52 1nsh h VAL 92 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 1nsh h VAL 92 Cb 1.33 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 1nsh h VAL 92 CO -0.03 0.00 -0.02 1.17 -1.23 0.00 0.00 177.57 177.47 1nsh n LYS 93 N -3.83 0.83 0.10 5.19 4.81 -1.23 -3.52 118.16 120.51 1nsh n LYS 93 Ca -0.01 -0.10 -0.04 0.00 -0.87 0.00 0.00 58.31 57.29 1nsh n LYS 93 Cb 0.19 -1.50 0.12 0.00 0.02 0.00 0.00 35.03 33.85 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nsh h ALA 94 N 3.80 0.84 -1.84 3.14 0.00 -0.87 -3.36 119.26 120.96 1nsh h ALA 94 Ca 0.00 -0.58 -0.46 0.00 0.00 0.00 0.00 54.91 53.87 1nsh h ALA 94 Cb 0.17 -0.09 -0.38 0.00 0.00 0.00 0.00 17.79 17.49 1nsh h ALA 94 CO 0.00 0.78 -1.14 0.00 0.00 0.00 0.00 179.25 178.89 1nsh n ALA 95 N -2.45 1.77 -0.11 0.00 0.00 -1.23 -4.98 120.51 113.52 1nsh n ALA 95 Ca -0.02 -3.24 -0.08 0.00 0.00 0.00 0.00 53.44 50.10 1nsh n ALA 95 Cb 0.65 -0.95 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 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 3.01 0.43 0.00 0.00 0.11 -1.73 -2.90 132.00 130.92 1nsh h PRO 96 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1nsh h PRO 96 Cb 0.98 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1nsh h PRO 96 CO 0.47 0.29 -0.23 -1.00 -0.21 0.00 0.00 178.00 177.31 1nsh h PRO 97 N 0.45 0.00 -5.96 1.05 0.13 -1.93 -3.46 132.00 122.28 1nsh h PRO 97 Ca 0.14 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.60 1nsh h PRO 97 Cb -0.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.09 1nsh h PRO 97 CO -0.05 0.00 1.42 0.94 -0.23 0.00 0.00 178.00 180.08 1nsh n GLN 98 N -2.66 0.97 -0.15 0.86 7.27 -1.10 -4.92 117.38 117.66 1nsh n GLN 98 Ca 0.04 0.26 -0.20 0.00 0.07 0.00 0.00 57.00 57.16 1nsh n GLN 98 Cb 0.49 -2.39 0.20 0.00 2.41 0.00 0.00 30.24 30.95 1nsh n GLN 98 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1nsh n LYS 99 N 8.17 -3.92 -3.12 3.69 5.02 -1.26 -5.03 118.16 121.72 1nsh n LYS 99 Ca 0.43 -0.97 -0.19 0.00 -2.02 0.00 0.00 58.31 55.55 1nsh n LYS 99 Cb 0.21 -1.27 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -4.52 0.51 -0.51 1.97 1.85 -1.26 -5.17 116.66 109.54 1nsh n ARG 100 Ca 0.09 -2.77 0.00 0.00 -1.00 0.00 0.00 57.85 54.17 1nsh n ARG 100 Cb 0.40 -1.45 0.00 0.00 -1.05 0.00 0.00 32.46 30.36 1nsh n ARG 100 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81