#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 -4.65 0.00 -1.46 0.63 -1.26 -5.02 116.66 104.90 1nsh n ARG 2 Ca 0.00 3.46 0.00 0.00 -0.92 0.00 0.00 57.85 60.39 1nsh n ARG 2 Cb 0.00 -4.77 0.00 0.00 0.45 0.00 0.00 32.46 28.14 1nsh n ARG 2 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1nsh n PRO 3 N 1.68 0.00 -3.62 -0.14 -0.02 -1.26 -5.08 135.00 126.56 1nsh n PRO 3 Ca -0.26 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.14 1nsh n PRO 3 Cb 0.40 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.82 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 0.00 0.32 3.45 -1.32 -1.26 -4.98 115.64 111.86 1nsh s THR 4 Ca 0.00 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 60.58 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 1.65 -0.08 -2.21 0.00 0.00 174.62 173.98 1nsh h GLU 5 N 3.32 0.27 -0.44 7.08 4.22 -2.01 0.87 114.58 127.89 1nsh h GLU 5 Ca -0.23 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.07 1nsh h GLU 5 Cb 1.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 1nsh h GLU 5 CO 0.19 0.18 -0.21 1.15 -2.18 0.00 0.00 179.01 178.14 1nsh h THR 6 N 0.28 1.27 -0.91 0.32 2.02 -1.99 -2.73 112.91 111.17 1nsh h THR 6 Ca 0.67 -1.36 0.23 0.00 0.77 0.00 0.00 66.41 66.72 1nsh h THR 6 Cb 1.46 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 68.97 1nsh h THR 6 CO -0.63 0.46 0.62 -0.33 0.37 0.00 0.00 175.52 176.01 1nsh h GLU 7 N 0.78 0.26 0.00 6.66 5.08 0.39 0.83 114.58 128.58 1nsh h GLU 7 Ca 0.10 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.30 1nsh h GLU 7 Cb 0.76 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1nsh h GLU 7 CO 0.06 0.17 -0.70 0.00 -1.00 0.00 0.00 179.01 177.55 1nsh h ARG 8 N 0.27 0.00 -0.21 2.33 -0.00 -1.17 -3.09 114.38 112.51 1nsh h ARG 8 Ca 0.47 0.00 -0.07 0.00 -0.50 0.00 0.00 59.98 59.87 1nsh h ARG 8 Cb 1.38 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 31.34 1nsh h ARG 8 CO -0.13 0.70 -0.15 0.00 0.00 0.00 0.00 179.97 180.39 1nsh h ILE 10 N 0.16 0.45 -0.57 0.00 5.03 -1.31 -2.99 117.51 118.29 1nsh h ILE 10 Ca 0.04 -0.45 0.17 0.00 -0.12 0.00 0.00 64.86 64.50 1nsh h ILE 10 Cb 0.67 0.62 -0.02 0.00 -3.03 0.00 0.00 36.82 35.06 1nsh h ILE 10 CO 0.04 0.07 0.52 -0.08 -0.68 0.00 0.00 178.15 178.01 1nsh h GLU 11 N -0.91 0.00 0.29 2.37 4.81 -1.64 -1.68 114.58 117.81 1nsh h GLU 11 Ca -0.06 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1nsh h GLU 11 Cb 0.58 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1nsh h GLU 11 CO 0.10 0.00 -0.14 1.03 -0.73 0.00 0.00 179.01 179.28 1nsh h SER 12 N 0.00 -0.33 0.55 1.04 0.87 -1.35 -2.93 113.55 111.40 1nsh h SER 12 Ca 0.27 -0.21 -0.07 0.00 -1.23 0.00 0.00 61.79 60.56 1nsh h SER 12 Cb 1.30 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1nsh h SER 12 CO -0.00 0.12 -0.31 -0.07 -0.53 0.00 0.00 176.83 176.04 1nsh h LEU 13 N -0.88 0.00 -0.70 2.23 -0.00 -1.28 -2.64 115.31 112.04 1nsh h LEU 13 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.71 1nsh h LEU 13 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1nsh h LEU 13 CO 0.06 0.31 -0.41 0.40 -0.00 0.00 0.00 178.44 178.81 1nsh h ILE 14 N 0.00 1.30 0.00 1.22 2.04 -1.41 -3.13 117.51 117.54 1nsh h ILE 14 Ca -0.00 -1.57 -0.16 0.00 1.00 0.00 0.00 64.86 64.13 1nsh h ILE 14 Cb 0.67 1.57 -0.02 0.00 -0.74 0.00 0.00 36.82 38.30 1nsh h ILE 14 CO 0.04 0.49 -0.74 0.00 0.00 0.00 0.00 178.15 177.94 1nsh h ALA 15 N 1.13 0.62 -0.56 1.87 0.00 -1.30 -2.65 119.26 118.37 1nsh h ALA 15 Ca 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1nsh h ALA 15 Cb 0.90 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1nsh h ALA 15 CO 0.08 0.92 0.15 -0.39 0.00 0.00 0.00 179.25 180.02 1nsh h VAL 16 N 0.00 1.22 0.00 0.00 -1.51 -1.42 -1.75 116.25 112.79 1nsh h VAL 16 Ca -0.01 -0.79 0.00 0.00 -1.23 0.00 0.00 66.70 64.67 1nsh h VAL 16 Cb 1.45 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 1nsh h VAL 16 CO 0.10 0.30 -0.03 0.15 -1.23 0.00 0.00 177.57 176.86 1nsh h PHE 17 N 0.82 0.00 -0.12 5.19 3.57 -1.57 -3.36 116.94 121.47 1nsh h PHE 17 Ca 0.18 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.72 1nsh h PHE 17 Cb 0.27 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1nsh h PHE 17 CO 0.02 0.00 0.12 -0.56 -2.23 0.00 0.00 178.31 175.65 1nsh h GLN 18 N -0.99 0.00 -0.31 1.11 3.07 -1.56 0.56 115.11 116.99 1nsh h GLN 18 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 58.65 58.81 1nsh h GLN 18 Cb 0.03 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.51 1nsh h GLN 18 CO 0.00 0.00 -0.20 -0.22 0.09 0.00 0.00 178.83 178.50 1nsh h LYS 19 N 0.00 -0.16 0.00 0.06 1.63 -1.46 1.00 116.57 117.64 1nsh h LYS 19 Ca 0.06 0.01 -0.21 0.00 -0.85 0.00 0.00 60.65 59.66 1nsh h LYS 19 Cb 0.29 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 1nsh h LYS 19 CO -0.00 -0.11 -1.01 1.88 -3.45 0.00 0.00 179.45 176.76 1nsh h TYR 20 N -0.17 0.00 -0.10 1.91 -1.99 -1.63 -3.23 116.97 111.76 1nsh h TYR 20 Ca 0.16 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.89 1nsh h TYR 20 Cb 0.41 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.14 1nsh h TYR 20 CO -0.39 0.98 0.00 0.00 -0.00 0.00 0.00 178.16 178.74 1nsh n ALA 21 N -2.35 2.74 -0.17 3.88 0.00 0.15 -4.92 120.51 119.83 1nsh n ALA 21 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1nsh n ALA 21 Cb 0.94 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 0.11 -1.46 1.07 0.00 0.00 0.33 -4.62 105.19 100.62 1nsh n GLY 22 Ca 0.05 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 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 1.10 1.85 0.01 1.61 3.00 -1.20 -4.45 118.16 120.07 1nsh n LYS 23 Ca 0.00 -3.27 0.00 0.00 -0.00 0.00 0.00 58.31 55.04 1nsh n LYS 23 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 35.03 33.24 1nsh n LYS 23 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1nsh n ASP 24 N -1.11 0.00 0.00 3.14 2.03 -1.26 -5.09 116.55 114.26 1nsh n ASP 24 Ca 0.30 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.63 1nsh n ASP 24 Cb 0.94 0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.35 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsh n GLY 25 N 1.79 -1.20 2.80 0.27 0.00 -1.26 -5.14 105.19 102.44 1nsh n GLY 25 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 46.02 46.31 1nsh n GLY 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1nsh s HIS 26 N 0.00 -0.55 0.54 1.61 2.46 -1.26 -5.11 115.29 112.98 1nsh s HIS 26 Ca 0.00 -0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.28 1nsh s HIS 26 Cb 0.00 -0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.07 1nsh s HIS 26 CO 0.00 -0.95 0.00 0.43 -2.47 0.00 0.00 174.74 171.75 1nsh n SER 27 N 5.02 -7.91 -2.17 9.88 7.64 -1.26 -4.69 113.62 120.12 1nsh n SER 27 Ca 0.02 1.61 -0.29 0.00 1.01 0.00 0.00 58.87 61.22 1nsh n SER 27 Cb 0.47 -4.59 0.10 0.00 -1.01 0.00 0.00 64.21 59.17 1nsh n SER 27 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1nsh n VAL 28 N -2.15 3.31 -3.88 0.44 0.24 -1.26 -4.84 118.33 110.19 1nsh n VAL 28 Ca 0.00 -2.97 -0.09 0.00 -2.04 0.00 0.00 64.34 59.24 1nsh n VAL 28 Cb 0.34 -0.98 -0.08 0.00 -1.47 0.00 0.00 33.84 31.65 1nsh n VAL 28 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1nsh s THR 29 N -4.42 0.14 0.00 3.34 -4.23 -1.26 -4.35 115.64 104.86 1nsh s THR 29 Ca 0.60 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1nsh s THR 29 Cb 0.48 -1.25 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1nsh s THR 29 CO 0.02 -0.65 0.00 -0.11 -0.54 0.00 0.00 174.62 173.34 1nsh n LEU 30 N 0.14 0.00 -3.88 4.79 0.00 -1.26 -4.71 117.00 112.07 1nsh n LEU 30 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 56.01 55.70 1nsh n LEU 30 Cb 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.89 1nsh n LEU 30 CO 0.23 0.00 -0.38 -0.55 0.00 0.00 0.00 177.39 176.69 1nsh s SER 31 N 0.74 0.35 0.32 1.96 0.15 -1.26 -1.29 113.70 114.66 1nsh s SER 31 Ca 0.00 -0.04 0.08 0.00 0.70 0.00 0.00 55.95 56.69 1nsh s SER 31 Cb 0.00 -0.10 0.83 0.00 -1.71 0.00 0.00 66.02 65.04 1nsh s SER 31 CO 0.00 -0.01 1.75 0.11 1.20 0.00 0.00 173.24 176.29 1nsh h LYS 32 N 6.49 0.64 -0.05 5.44 1.57 -1.95 0.91 116.57 129.62 1nsh h LYS 32 Ca -0.32 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.29 1nsh h LYS 32 Cb 1.18 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1nsh h LYS 32 CO 0.50 0.42 -0.47 1.15 -0.57 0.00 0.00 179.45 180.48 1nsh h THR 33 N 0.66 1.41 -0.02 -0.16 2.02 -2.00 -2.83 112.91 111.99 1nsh h THR 33 Ca 0.61 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1nsh h THR 33 Cb 1.08 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.88 1nsh h THR 33 CO -0.42 0.55 0.01 -0.08 0.37 0.00 0.00 175.52 175.96 1nsh h GLU 34 N -0.06 0.00 0.00 6.66 4.81 -1.58 0.66 114.58 125.07 1nsh h GLU 34 Ca -0.04 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 1nsh h GLU 34 Cb 1.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 1nsh h GLU 34 CO 0.10 0.00 -0.52 0.74 -0.73 0.00 0.00 179.01 178.60 1nsh h PHE 35 N 0.00 0.00 0.10 0.92 0.04 -0.84 -3.26 116.94 113.91 1nsh h PHE 35 Ca 0.01 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.79 1nsh h PHE 35 Cb 0.03 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 1nsh h PHE 35 CO 0.00 0.52 -0.50 -0.07 -0.60 0.00 0.00 178.31 177.65 1nsh h LEU 36 N 0.00 -1.51 -0.59 1.54 -0.00 -0.60 0.41 115.31 114.56 1nsh h LEU 36 Ca -0.01 0.16 0.10 0.00 -0.00 0.00 0.00 57.88 58.13 1nsh h LEU 36 Cb 1.18 0.56 -0.07 0.00 -0.00 0.00 0.00 40.66 42.32 1nsh h LEU 36 CO 0.07 -0.54 0.19 0.77 -0.00 0.00 0.00 178.44 178.93 1nsh h SER 37 N -0.72 0.15 -0.19 -0.43 4.64 -1.63 0.29 113.55 115.66 1nsh h SER 37 Ca 0.01 0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.47 1nsh h SER 37 Cb 0.74 0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.91 1nsh h SER 37 CO -0.29 0.09 0.15 0.15 -0.87 0.00 0.00 176.83 176.06 1nsh h PHE 38 N 0.35 0.00 0.08 4.77 3.04 -1.40 -0.65 116.94 123.13 1nsh h PHE 38 Ca 0.30 0.00 -0.26 0.00 3.98 0.00 0.00 57.97 61.99 1nsh h PHE 38 Cb 0.40 0.00 0.01 0.00 2.56 0.00 0.00 35.95 38.91 1nsh h PHE 38 CO -0.19 0.00 -1.12 1.98 -2.02 0.00 0.00 178.31 176.96 1nsh h MET 39 N 0.00 0.37 0.00 1.11 4.05 0.17 -0.45 114.93 120.18 1nsh h MET 39 Ca 0.09 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 59.00 1nsh h MET 39 Cb 0.39 0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.36 1nsh h MET 39 CO -0.00 1.19 0.00 -0.91 0.23 0.00 0.00 176.91 177.42 1nsh h ASN 40 N 0.16 0.00 0.00 1.39 2.35 0.33 -2.37 115.58 117.44 1nsh h ASN 40 Ca -0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.63 1nsh h ASN 40 Cb 1.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1nsh h ASN 40 CO 0.19 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.32 1nsh n THR 41 N -3.06 0.00 -0.08 2.81 -2.24 -0.56 -3.90 114.28 107.25 1nsh n THR 41 Ca 0.02 0.04 0.26 0.00 -2.27 0.00 0.00 64.05 62.10 1nsh n THR 41 Cb 0.37 -0.88 0.72 0.00 -2.10 0.00 0.00 70.33 68.44 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 -1.28 -0.78 4.39 -1.30 -2.22 114.58 113.39 1nsh h GLU 42 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 1nsh h GLU 42 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 1nsh h GLU 42 CO 0.00 0.00 -1.07 1.28 -1.16 0.00 0.00 179.01 178.06 1nsh n LEU 43 N -4.05 2.25 0.16 1.33 4.77 -1.12 -4.86 117.00 115.49 1nsh n LEU 43 Ca 0.15 -4.28 0.04 0.00 -0.03 0.00 0.00 56.01 51.89 1nsh n LEU 43 Cb 0.86 0.22 0.16 0.00 -2.33 0.00 0.00 43.42 42.32 1nsh n LEU 43 CO 0.34 1.83 0.56 0.00 -1.33 0.00 0.00 177.39 178.79 1nsh h ALA 44 N 2.90 0.79 0.00 -1.18 0.00 -0.86 -3.03 119.26 117.89 1nsh h ALA 44 Ca 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1nsh h ALA 44 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1nsh h ALA 44 CO 0.59 0.56 0.00 0.00 0.00 0.00 0.00 179.25 180.41 1nsh n ALA 45 N -2.25 1.53 -0.02 0.00 0.00 -1.26 0.15 120.51 118.66 1nsh n ALA 45 Ca 0.01 0.10 0.08 0.00 0.00 0.00 0.00 53.44 53.63 1nsh n ALA 45 Cb 0.64 -1.37 -0.16 0.00 0.00 0.00 0.00 19.45 18.57 1nsh n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1nsh n PHE 46 N -2.22 0.06 -0.01 0.00 3.01 -1.15 -4.45 117.46 112.70 1nsh n PHE 46 Ca 0.01 0.02 0.05 0.00 1.01 0.00 0.00 57.45 58.54 1nsh n PHE 46 Cb 0.19 -0.60 -0.10 0.00 -0.01 0.00 0.00 39.48 38.95 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 -2.36 0.10 -1.68 4.37 -2.24 -0.92 -4.84 114.28 106.71 1nsh n THR 47 Ca -0.08 -0.32 -0.44 0.00 -2.27 0.00 0.00 64.05 60.93 1nsh n THR 47 Cb 0.66 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.01 2.08 0.00 -0.78 5.02 0.39 -2.02 118.16 120.84 1nsh n LYS 48 Ca -0.04 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.99 1nsh n LYS 48 Cb 0.41 -2.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.02 1nsh n LYS 48 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1nsh n ASN 49 N 2.00 0.00 -1.28 4.39 2.85 -1.26 -4.35 115.26 117.60 1nsh n ASN 49 Ca 0.11 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.47 1nsh n ASN 49 Cb 0.32 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.34 1nsh n ASN 49 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 1nsh n GLN 50 N 0.00 -1.08 0.18 1.20 0.00 -0.85 -4.91 117.38 111.91 1nsh n GLN 50 Ca 0.00 0.51 0.04 0.00 -0.00 0.00 0.00 57.00 57.55 1nsh n GLN 50 Cb 0.00 -4.59 0.33 0.00 0.00 0.00 0.00 30.24 25.98 1nsh n GLN 50 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 1nsh h LYS 51 N -0.10 0.00 -3.07 3.69 1.79 -1.86 -3.33 116.57 113.68 1nsh h LYS 51 Ca -0.26 0.00 -0.74 0.00 -2.18 0.00 0.00 60.65 57.47 1nsh h LYS 51 Cb 1.19 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.51 1nsh h LYS 51 CO 0.30 0.41 0.23 -0.25 -1.08 0.00 0.00 179.45 179.06 1nsh n ASP 52 N -3.70 5.13 -4.56 0.86 9.92 -1.26 -5.00 116.55 117.94 1nsh n ASP 52 Ca -0.01 -3.25 -0.25 0.00 -0.53 0.00 0.00 54.79 50.75 1nsh n ASP 52 Cb 0.50 -1.13 -0.06 0.00 -0.64 0.00 0.00 41.12 39.79 1nsh n ASP 52 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1nsh s PRO 53 N -1.98 2.40 0.00 -0.24 0.04 -1.25 -3.18 135.00 130.79 1nsh s PRO 53 Ca 0.31 -0.37 0.00 0.00 0.04 0.00 0.00 61.00 60.98 1nsh s PRO 53 Cb -0.01 -5.06 0.00 0.00 0.04 0.00 0.00 34.50 29.47 1nsh s PRO 53 CO -0.03 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 173.76 1nsh n GLY 54 N 6.64 0.73 0.34 0.56 0.00 -1.26 -4.99 105.19 107.21 1nsh n GLY 54 Ca 0.42 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.10 1.61 2.07 -1.79 0.69 116.25 118.93 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 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 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 -0.56 -0.12 -1.91 2.57 5.85 -1.88 -2.52 115.31 116.73 1nsh h LEU 56 Ca -0.01 -0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1nsh h LEU 56 Cb 0.55 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1nsh h LEU 56 CO -0.17 -0.02 0.33 -0.78 -0.34 0.00 0.00 178.44 177.46 1nsh h ASP 57 N -0.21 0.09 -0.74 1.25 1.82 -1.90 -1.35 116.42 115.37 1nsh h ASP 57 Ca -0.01 0.00 0.02 0.00 -0.39 0.00 0.00 57.03 56.65 1nsh h ASP 57 Cb 0.17 -0.02 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 1nsh h ASP 57 CO 0.02 0.05 0.48 0.03 -1.61 0.00 0.00 179.24 178.22 1nsh h ARG 58 N 0.10 0.93 0.30 0.28 -0.00 0.87 -0.48 114.38 116.38 1nsh h ARG 58 Ca 0.22 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.63 1nsh h ARG 58 Cb 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 29.97 30.52 1nsh h ARG 58 CO -0.02 0.62 -0.14 0.00 0.00 0.00 0.00 179.97 180.42 1nsh h MET 59 N 0.96 -0.39 0.00 0.04 -0.00 -1.23 0.22 114.93 114.53 1nsh h MET 59 Ca 0.28 0.03 -0.01 0.00 -0.00 0.00 0.00 59.70 60.00 1nsh h MET 59 Cb -0.05 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 31.64 1nsh h MET 59 CO -0.08 -0.15 -0.03 0.52 -0.00 0.00 0.00 176.91 177.17 1nsh h MET 60 N -0.57 0.00 0.08 -0.10 2.86 -1.43 1.11 114.93 116.87 1nsh h MET 60 Ca -0.04 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1nsh h MET 60 Cb 0.42 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 1nsh h MET 60 CO 0.07 0.03 -0.04 -0.22 1.06 0.00 0.00 176.91 177.80 1nsh h LYS 61 N 0.00 -0.11 -0.01 1.72 1.63 -0.86 -3.32 116.57 115.62 1nsh h LYS 61 Ca -0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1nsh h LYS 61 Cb 0.05 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1nsh h LYS 61 CO 0.00 -0.03 0.00 1.63 -3.45 0.00 0.00 179.45 177.60 1nsh n LYS 62 N -4.85 1.03 -0.43 1.90 4.01 0.74 -4.15 118.16 116.40 1nsh n LYS 62 Ca -0.02 -0.04 0.37 0.00 -0.51 0.00 0.00 58.31 58.10 1nsh n LYS 62 Cb 0.06 -1.20 0.68 0.00 -0.51 0.00 0.00 35.03 34.07 1nsh n LYS 62 CO 0.00 0.00 0.00 1.37 -1.11 0.00 0.00 177.40 177.66 1nsh h LEU 63 N 0.08 0.17 -3.27 -0.35 -0.00 0.12 -3.46 115.31 108.60 1nsh h LEU 63 Ca 0.00 0.06 -0.23 0.00 -0.00 0.00 0.00 57.88 57.71 1nsh h LEU 63 Cb 0.02 0.04 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 1nsh h LEU 63 CO 0.00 -0.04 -1.06 -0.67 -0.00 0.00 0.00 178.44 176.66 1nsh n ASP 64 N -4.39 -6.19 -4.52 0.17 2.03 -1.26 -4.82 116.55 97.57 1nsh n ASP 64 Ca 0.33 0.14 -0.43 0.00 0.52 0.00 0.00 54.79 55.35 1nsh n ASP 64 Cb 1.38 -2.33 -0.05 0.00 -0.72 0.00 0.00 41.12 39.40 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 -2.12 4.31 -0.14 -2.67 1.43 -1.26 -4.87 118.68 113.37 1nsh s LEU 65 Ca 0.26 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1nsh s LEU 65 Cb -0.03 -2.81 -0.23 0.00 0.03 0.00 0.00 46.19 43.15 1nsh s LEU 65 CO 0.67 -1.06 0.28 0.59 0.23 0.00 0.00 176.35 177.06 1nsh n ASN 66 N 6.97 1.11 -3.13 2.29 5.03 -1.26 -4.91 115.26 121.36 1nsh n ASN 66 Ca 0.00 0.16 -0.15 0.00 0.87 0.00 0.00 54.58 55.46 1nsh n ASN 66 Cb 0.47 -0.01 0.15 0.00 -1.02 0.00 0.00 39.78 39.37 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1nsh n SER 67 N -3.10 -3.08 0.22 6.41 7.64 -1.26 -4.79 113.62 115.66 1nsh n SER 67 Ca -0.30 -0.44 0.18 0.00 1.01 0.00 0.00 58.87 59.32 1nsh n SER 67 Cb 1.07 -0.52 0.84 0.00 -1.01 0.00 0.00 64.21 64.59 1nsh n SER 67 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1nsh h ASP 68 N -2.82 0.00 0.00 6.43 3.58 -1.94 -3.43 116.42 118.24 1nsh h ASP 68 Ca -0.20 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1nsh h ASP 68 Cb 0.67 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.72 1nsh h ASP 68 CO 0.12 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.09 1nsh n GLY 69 N -1.36 0.43 3.64 -0.78 0.00 -1.26 -5.15 105.19 100.71 1nsh n GLY 69 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 -0.36 0.00 1.61 -1.52 -1.26 -4.97 119.66 113.16 1nsh s GLN 70 Ca 0.00 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.66 1nsh s GLN 70 Cb 0.00 -1.67 0.00 0.00 -0.22 0.00 0.00 33.01 31.12 1nsh s GLN 70 CO 0.00 -3.20 0.00 1.28 -0.25 0.00 0.00 175.29 173.12 1nsh n LEU 71 N -4.46 0.00 0.00 2.90 7.99 -0.41 -4.71 117.00 118.31 1nsh n LEU 71 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.08 1nsh n LEU 71 Cb 0.58 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.89 1nsh n LEU 71 CO 0.52 0.00 0.00 -0.67 -1.51 0.00 0.00 177.39 175.73 1nsh n ASP 72 N 0.00 0.00 -0.06 -1.43 2.03 -1.26 -4.62 116.55 111.21 1nsh n ASP 72 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 1nsh n ASP 72 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 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 -1.99 -3.37 116.94 110.91 1nsh h PHE 73 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 57.97 57.80 1nsh h PHE 73 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 35.93 1nsh h PHE 73 CO 0.00 0.30 -0.82 0.37 -0.00 0.00 0.00 178.31 178.17 1nsh h GLN 74 N -1.00 0.00 -1.18 6.09 5.75 -1.97 -3.25 115.11 119.55 1nsh h GLN 74 Ca -0.02 0.00 0.36 0.00 -0.15 0.00 0.00 58.65 58.85 1nsh h GLN 74 Cb 0.36 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.79 1nsh h GLN 74 CO -0.01 0.78 0.75 0.93 -2.65 0.00 0.00 178.83 178.63 1nsh h GLU 75 N 0.00 0.21 0.00 1.69 5.08 -1.88 1.75 114.58 121.43 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 1.62 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.82 1nsh h GLU 75 CO 0.10 0.14 -0.04 0.35 -1.00 0.00 0.00 179.01 178.56 1nsh h PHE 76 N 0.22 0.00 -1.00 4.33 3.57 -1.72 0.28 116.94 122.62 1nsh h PHE 76 Ca 0.73 0.00 0.25 0.00 3.53 0.00 0.00 57.97 62.48 1nsh h PHE 76 Cb 2.09 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 40.76 1nsh h PHE 76 CO -0.01 0.59 0.66 -0.07 -2.23 0.00 0.00 178.31 177.26 1nsh h LEU 77 N -1.00 0.34 0.00 0.59 3.38 -0.90 2.01 115.31 119.73 1nsh h LEU 77 Ca -0.01 0.05 -0.27 0.00 0.09 0.00 0.00 57.88 57.75 1nsh h LEU 77 Cb 0.59 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.35 1nsh h LEU 77 CO -0.00 0.09 -1.10 -1.13 0.09 0.00 0.00 178.44 176.39 1nsh h ASN 78 N 0.32 0.77 0.67 -0.43 -1.24 0.25 1.36 115.58 117.27 1nsh h ASN 78 Ca 0.53 -0.66 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1nsh h ASN 78 Cb 1.50 -0.24 0.01 0.00 0.73 0.00 0.00 38.32 40.31 1nsh h ASN 78 CO -0.19 1.47 -0.32 -0.07 -1.29 0.00 0.00 177.43 177.02 1nsh h LEU 79 N 0.29 -0.76 -0.16 0.34 4.07 0.34 0.27 115.31 119.70 1nsh h LEU 79 Ca -0.14 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.65 1nsh h LEU 79 Cb 1.76 0.20 0.01 0.00 1.08 0.00 0.00 40.66 43.70 1nsh h LEU 79 CO 0.21 -0.43 -0.53 -0.29 -1.08 0.00 0.00 178.44 176.31 1nsh h ILE 80 N -1.09 1.33 -0.37 1.22 -0.00 0.25 -2.99 117.51 115.86 1nsh h ILE 80 Ca -0.09 -1.78 0.07 0.00 -0.00 0.00 0.00 64.86 63.06 1nsh h ILE 80 Cb 0.73 2.00 -0.07 0.00 -0.00 0.00 0.00 36.82 39.48 1nsh h ILE 80 CO 0.15 0.55 -0.08 1.23 -0.00 0.00 0.00 178.15 180.00 1nsh h GLY 81 N 0.31 0.27 0.16 8.18 0.00 0.18 0.15 103.07 112.32 1nsh h GLY 81 Ca -0.02 0.12 0.18 0.00 0.00 0.00 0.00 47.33 47.61 1nsh h GLY 81 CO 0.11 -0.14 0.60 -1.33 0.00 0.00 0.00 176.54 175.78 1nsh h GLY 82 N 0.01 1.75 1.00 4.60 0.00 -0.44 0.63 103.07 110.60 1nsh h GLY 82 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1nsh h GLY 82 CO -0.37 -0.05 0.29 1.41 0.00 0.00 0.00 176.54 177.82 1nsh h LEU 83 N 0.77 0.52 -1.92 3.11 3.38 -0.59 -0.73 115.31 119.84 1nsh h LEU 83 Ca 0.56 -0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.64 1nsh h LEU 83 Cb 0.85 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1nsh h LEU 83 CO -0.37 0.39 0.35 0.00 0.09 0.00 0.00 178.44 178.90 1nsh h ALA 84 N 1.15 2.36 0.00 1.53 0.00 0.14 1.02 119.26 125.46 1nsh h ALA 84 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nsh h ALA 84 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nsh h ALA 84 CO -0.03 -0.50 -0.44 0.28 0.00 0.00 0.00 179.25 178.56 1nsh h VAL 85 N 0.08 0.00 -0.20 0.00 2.07 -0.72 0.35 116.25 117.83 1nsh h VAL 85 Ca 0.24 -0.75 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1nsh h VAL 85 Cb 0.83 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1nsh h VAL 85 CO -0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1nsh n ALA 86 N -1.98 2.28 0.00 1.67 0.00 0.11 0.52 120.51 123.12 1nsh n ALA 86 Ca 0.03 -1.47 0.00 0.00 0.00 0.00 0.00 53.44 52.00 1nsh n ALA 86 Cb 0.49 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.58 1nsh n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nsh n HIS 88 N -1.22 -3.49 -1.53 0.00 8.25 0.12 -4.96 115.22 112.39 1nsh n HIS 88 Ca 0.00 -0.18 -0.31 0.00 -0.26 0.00 0.00 57.72 56.97 1nsh n HIS 88 Cb 0.00 -0.09 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 1nsh n HIS 88 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1nsh n GLU 89 N -1.23 3.30 -0.02 -0.41 0.00 -1.26 -4.13 120.64 116.90 1nsh n GLU 89 Ca 0.02 -2.45 -0.03 0.00 0.00 0.00 0.00 57.16 54.70 1nsh n GLU 89 Cb 0.07 -2.40 -0.01 0.00 0.00 0.00 0.00 31.44 29.09 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1nsh n SER 90 N 1.95 1.05 0.00 -1.84 7.64 -1.25 -5.06 113.62 116.12 1nsh n SER 90 Ca 0.58 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1nsh n SER 90 Cb 0.46 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 1nsh n SER 90 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1nsh n PHE 91 N -3.02 0.00 -1.03 1.43 3.01 -1.14 -4.98 117.46 111.72 1nsh n PHE 91 Ca -0.06 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.35 1nsh n PHE 91 Cb 0.55 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.00 1nsh n PHE 91 CO 0.00 0.00 0.00 1.33 1.01 0.00 0.00 176.76 179.10 1nsh n VAL 92 N -0.85 0.00 -1.81 -4.37 0.24 0.19 0.18 118.33 111.91 1nsh n VAL 92 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 62.11 1nsh n VAL 92 Cb 0.00 -0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 31.83 1nsh n VAL 92 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1nsh n LYS 93 N -1.14 -1.41 -3.36 7.34 2.85 -1.26 -3.23 118.16 117.96 1nsh n LYS 93 Ca -0.05 1.11 -0.12 0.00 -1.05 0.00 0.00 58.31 58.21 1nsh n LYS 93 Cb 0.17 -5.51 0.01 0.00 -0.65 0.00 0.00 35.03 29.05 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1nsh n ALA 94 N 0.36 -2.60 -3.02 0.58 0.00 0.13 -4.98 120.51 110.98 1nsh n ALA 94 Ca -0.20 -0.10 -0.16 0.00 0.00 0.00 0.00 53.44 52.97 1nsh n ALA 94 Cb 0.65 -1.75 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 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 -2.36 2.54 -0.04 0.00 0.00 -1.20 -4.97 120.51 114.48 1nsh n ALA 95 Ca -0.11 -3.38 -0.10 0.00 0.00 0.00 0.00 53.44 49.85 1nsh n ALA 95 Cb 0.58 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 2.99 0.24 -0.99 0.00 0.11 -1.93 -2.79 132.00 129.63 1nsh h PRO 96 Ca 0.05 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.88 1nsh h PRO 96 Cb 1.01 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 31.91 1nsh h PRO 96 CO 0.52 0.16 0.33 -0.35 -0.21 0.00 0.00 178.00 178.44 1nsh n PRO 97 N -4.96 1.73 -0.04 1.05 -0.04 -1.26 -4.05 135.00 127.43 1nsh n PRO 97 Ca -0.03 -1.59 -0.03 0.00 -0.04 0.00 0.00 63.50 61.81 1nsh n PRO 97 Cb 0.03 -1.64 -0.14 0.00 -0.04 0.00 0.00 33.50 31.72 1nsh n PRO 97 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1nsh n GLN 98 N -0.33 0.66 0.09 0.54 0.00 -1.05 -4.41 117.38 112.88 1nsh n GLN 98 Ca 0.31 0.05 -0.12 0.00 -0.00 0.00 0.00 57.00 57.23 1nsh n GLN 98 Cb 1.10 -1.63 -0.06 0.00 0.00 0.00 0.00 30.24 29.65 1nsh n GLN 98 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.06 178.63 1nsh h LYS 99 N 0.00 -0.22 -4.32 3.69 2.10 -1.75 -3.45 116.57 112.62 1nsh h LYS 99 Ca -0.31 0.01 -0.13 0.00 -2.00 0.00 0.00 60.65 58.22 1nsh h LYS 99 Cb 1.81 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 33.18 1nsh h LYS 99 CO 0.03 -0.15 -0.17 -2.13 -2.00 0.00 0.00 179.45 175.04 1nsh n ARG 100 N -5.22 -2.56 0.00 0.07 3.00 -1.26 -5.24 116.66 105.44 1nsh n ARG 100 Ca -0.07 0.32 0.00 0.00 -0.00 0.00 0.00 57.85 58.10 1nsh n ARG 100 Cb 0.15 -4.86 0.00 0.00 0.00 0.00 0.00 32.46 27.74 1nsh n ARG 100 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82