#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 -4.60 -0.03 1.43 3.00 -1.26 -4.81 116.66 110.39 1nsh n ARG 2 Ca 0.00 3.39 0.00 0.00 -0.01 0.00 0.00 57.85 61.24 1nsh n ARG 2 Cb 0.00 -4.55 0.02 0.00 0.00 0.00 0.00 32.46 27.93 1nsh n ARG 2 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 1nsh n PRO 3 N 1.84 1.14 -1.64 5.56 -0.04 -1.26 -4.57 135.00 136.04 1nsh n PRO 3 Ca -0.19 -0.14 -0.41 0.00 -0.04 0.00 0.00 63.50 62.73 1nsh n PRO 3 Cb 0.29 -1.37 0.02 0.00 -0.04 0.00 0.00 33.50 32.39 1nsh n PRO 3 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1nsh n THR 4 N -0.11 2.69 -0.31 0.52 5.66 -1.26 -4.66 114.28 116.81 1nsh n THR 4 Ca 0.01 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.66 1nsh n THR 4 Cb 0.21 -1.29 0.32 0.00 -1.55 0.00 0.00 70.33 68.02 1nsh n THR 4 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1nsh h GLU 5 N 1.55 0.17 -0.22 1.09 4.57 -2.00 0.55 114.58 120.28 1nsh h GLU 5 Ca -0.46 -0.01 -0.18 0.00 -1.18 0.00 0.00 59.36 57.53 1nsh h GLU 5 Cb 1.33 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1nsh h GLU 5 CO 0.57 0.11 -0.59 1.15 -1.18 0.00 0.00 179.01 179.08 1nsh h THR 6 N 0.17 1.30 -0.16 0.32 2.02 -1.96 -3.06 112.91 111.54 1nsh h THR 6 Ca 0.59 -1.81 0.05 0.00 0.77 0.00 0.00 66.41 66.01 1nsh h THR 6 Cb 1.23 1.75 -0.06 0.00 -1.74 0.00 0.00 68.15 69.33 1nsh h THR 6 CO -0.70 0.57 -0.24 -0.33 0.37 0.00 0.00 175.52 175.20 1nsh h GLU 7 N 0.54 -0.27 -0.13 6.66 4.39 -0.21 0.33 114.58 125.89 1nsh h GLU 7 Ca 0.00 0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.76 1nsh h GLU 7 Cb 1.17 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.88 1nsh h GLU 7 CO 0.12 -0.18 0.12 -0.09 -1.16 0.00 0.00 179.01 177.82 1nsh h ARG 8 N -0.29 0.00 0.12 2.33 2.43 -1.31 -2.39 114.38 115.28 1nsh h ARG 8 Ca 0.11 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1nsh h ARG 8 Cb 0.45 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1nsh h ARG 8 CO -0.33 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 178.07 1nsh h ILE 10 N -0.90 0.26 -0.57 0.00 5.03 -0.55 -1.70 117.51 119.08 1nsh h ILE 10 Ca -0.02 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.89 1nsh h ILE 10 Cb 0.53 0.26 -0.02 0.00 -3.03 0.00 0.00 36.82 34.56 1nsh h ILE 10 CO 0.03 0.00 0.51 -0.33 -0.68 0.00 0.00 178.15 177.68 1nsh h GLU 11 N -0.65 0.00 0.50 2.37 5.08 -1.59 -2.17 114.58 118.11 1nsh h GLU 11 Ca 0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1nsh h GLU 11 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1nsh h GLU 11 CO -0.15 0.00 -0.24 0.77 -1.00 0.00 0.00 179.01 178.39 1nsh h SER 12 N 0.00 -0.57 0.90 1.42 0.02 -1.25 -2.72 113.55 111.35 1nsh h SER 12 Ca 0.27 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 61.06 1nsh h SER 12 Cb 1.29 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.96 1nsh h SER 12 CO -0.00 -0.30 -0.58 -0.07 -1.14 0.00 0.00 176.83 174.73 1nsh h LEU 13 N -0.82 0.00 -0.85 5.07 -0.00 -1.39 -2.89 115.31 114.43 1nsh h LEU 13 Ca -0.07 0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.71 1nsh h LEU 13 Cb 0.58 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.22 1nsh h LEU 13 CO 0.11 0.58 -0.21 0.40 -0.00 0.00 0.00 178.44 179.32 1nsh h ILE 14 N 0.00 1.26 0.05 1.22 2.04 -1.46 -3.12 117.51 117.51 1nsh h ILE 14 Ca -0.01 -1.26 -0.23 0.00 1.00 0.00 0.00 64.86 64.37 1nsh h ILE 14 Cb 1.19 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.50 1nsh h ILE 14 CO 0.08 0.41 -1.06 0.00 0.00 0.00 0.00 178.15 177.57 1nsh h ALA 15 N 1.22 0.29 -0.89 1.87 0.00 -1.47 -1.73 119.26 118.55 1nsh h ALA 15 Ca 0.08 -0.85 0.18 0.00 0.00 0.00 0.00 54.91 54.33 1nsh h ALA 15 Cb 0.66 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1nsh h ALA 15 CO 0.05 1.05 0.58 -0.39 0.00 0.00 0.00 179.25 180.54 1nsh h VAL 16 N 0.06 0.73 0.09 0.00 -1.51 -1.44 0.44 116.25 114.62 1nsh h VAL 16 Ca -0.07 -0.17 -0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1nsh h VAL 16 Cb 1.78 0.18 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 1nsh h VAL 16 CO 0.16 0.09 -0.04 0.15 -1.23 0.00 0.00 177.57 176.70 1nsh h PHE 17 N 0.51 -0.11 -0.73 5.19 3.57 -1.56 -3.35 116.94 120.46 1nsh h PHE 17 Ca 0.46 -0.00 0.16 0.00 3.53 0.00 0.00 57.97 62.12 1nsh h PHE 17 Cb 1.00 0.04 -0.11 0.00 2.79 0.00 0.00 35.95 39.68 1nsh h PHE 17 CO -0.00 0.02 0.19 1.96 -2.23 0.00 0.00 178.31 178.24 1nsh h GLN 18 N -1.02 0.28 -0.54 1.11 1.08 -0.72 0.67 115.11 115.96 1nsh h GLN 18 Ca -0.01 -0.02 0.11 0.00 -1.45 0.00 0.00 58.65 57.28 1nsh h GLN 18 Cb 0.18 -0.06 -0.11 0.00 -0.05 0.00 0.00 27.48 27.44 1nsh h GLN 18 CO 0.02 0.18 -0.21 -0.22 -0.95 0.00 0.00 178.83 177.65 1nsh h LYS 19 N 0.28 -0.08 0.05 1.46 1.63 -0.29 1.14 116.57 120.76 1nsh h LYS 19 Ca 0.41 0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.97 1nsh h LYS 19 Cb 0.69 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 1nsh h LYS 19 CO -0.49 -0.06 -1.17 1.88 -3.45 0.00 0.00 179.45 176.16 1nsh h TYR 20 N -0.09 0.18 -0.20 1.91 -1.99 -1.51 -3.25 116.97 112.02 1nsh h TYR 20 Ca 0.25 -0.13 -0.00 0.00 2.00 0.00 0.00 58.73 60.85 1nsh h TYR 20 Cb 0.48 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.20 1nsh h TYR 20 CO -0.52 1.11 0.00 0.00 -0.00 0.00 0.00 178.16 178.76 1nsh n ALA 21 N -2.44 2.98 -3.19 3.88 0.00 0.23 -4.68 120.51 117.28 1nsh n ALA 21 Ca -0.05 -0.65 0.01 0.00 0.00 0.00 0.00 53.44 52.75 1nsh n ALA 21 Cb 0.98 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.36 1nsh n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1nsh s GLY 22 N -0.26 -0.94 0.00 0.00 0.00 0.38 -4.00 107.32 102.50 1nsh s GLY 22 Ca 0.18 1.41 0.00 0.00 0.00 0.00 0.00 44.72 46.32 1nsh s GLY 22 CO 0.05 3.32 0.00 0.58 0.00 0.00 0.00 173.10 177.05 1nsh n LYS 23 N 5.41 0.00 -3.50 2.90 -0.00 -1.26 -4.72 118.16 116.99 1nsh n LYS 23 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 1nsh n LYS 23 Cb 0.51 -0.06 -0.05 0.00 -0.00 0.00 0.00 35.03 35.44 1nsh n LYS 23 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 1nsh s ASP 24 N -5.00 -0.60 0.09 -5.58 2.15 -1.26 -5.05 116.67 101.42 1nsh s ASP 24 Ca 0.00 0.47 0.00 0.00 0.43 0.00 0.00 52.55 53.45 1nsh s ASP 24 Cb 0.00 0.53 0.00 0.00 -0.30 0.00 0.00 42.92 43.15 1nsh s ASP 24 CO 0.00 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 174.92 1nsh n GLY 25 N 0.50 1.40 3.82 2.66 0.00 -1.26 -4.74 105.19 107.56 1nsh n GLY 25 Ca -0.17 0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 2.68 -0.43 1.61 3.76 -1.26 -5.08 115.29 116.57 1nsh s HIS 26 Ca 0.00 -0.51 0.07 0.00 -0.15 0.00 0.00 55.06 54.47 1nsh s HIS 26 Cb 0.00 -2.05 0.33 0.00 1.11 0.00 0.00 32.58 31.98 1nsh s HIS 26 CO 0.00 0.03 1.20 0.43 -0.85 0.00 0.00 174.74 175.55 1nsh n SER 27 N -1.41 -2.13 -0.01 1.40 7.64 -1.26 -4.36 113.62 113.50 1nsh n SER 27 Ca 0.01 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.69 1nsh n SER 27 Cb 0.63 1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 65.41 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 0.08 0.11 -4.00 0.44 0.24 -1.26 -4.85 118.33 109.10 1nsh n VAL 28 Ca 0.02 -0.12 -0.09 0.00 -2.04 0.00 0.00 64.34 62.11 1nsh n VAL 28 Cb 0.74 -0.14 -0.10 0.00 -1.47 0.00 0.00 33.84 32.87 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 -2.20 0.14 0.00 3.34 -4.23 -1.26 -4.57 115.64 106.86 1nsh s THR 29 Ca -0.02 -1.15 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1nsh s THR 29 Cb 0.02 -0.67 0.00 0.00 1.34 0.00 0.00 72.50 73.19 1nsh s THR 29 CO 0.16 -0.63 0.00 -0.11 -0.54 0.00 0.00 174.62 173.50 1nsh n LEU 30 N 1.11 0.00 -3.79 4.79 0.00 -1.26 -4.73 117.00 113.12 1nsh n LEU 30 Ca -0.21 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.68 1nsh n LEU 30 Cb 0.57 0.00 -0.12 0.00 0.00 0.00 0.00 43.42 43.87 1nsh n LEU 30 CO 0.22 0.00 -0.16 -0.55 0.00 0.00 0.00 177.39 176.91 1nsh s SER 31 N -0.40 -0.20 0.41 1.96 0.15 -1.26 -1.73 113.70 112.62 1nsh s SER 31 Ca 0.00 0.39 0.19 0.00 0.70 0.00 0.00 55.95 57.23 1nsh s SER 31 Cb 0.00 0.37 1.11 0.00 -1.71 0.00 0.00 66.02 65.79 1nsh s SER 31 CO 0.00 -0.08 1.79 0.07 1.20 0.00 0.00 173.24 176.22 1nsh h LYS 32 N 6.12 0.38 -0.07 5.44 -0.00 -1.99 0.12 116.57 126.57 1nsh h LYS 32 Ca -0.29 -0.02 -0.17 0.00 -0.00 0.00 0.00 60.65 60.17 1nsh h LYS 32 Cb 1.19 -0.09 0.01 0.00 -0.00 0.00 0.00 32.23 33.34 1nsh h LYS 32 CO 0.39 0.25 -0.63 1.15 -0.00 0.00 0.00 179.45 180.61 1nsh h THR 33 N 0.39 1.36 -0.37 0.07 2.02 -2.01 -3.07 112.91 111.31 1nsh h THR 33 Ca 0.56 -1.96 0.11 0.00 0.77 0.00 0.00 66.41 65.89 1nsh h THR 33 Cb 1.43 2.29 -0.01 0.00 -1.74 0.00 0.00 68.15 70.12 1nsh h THR 33 CO -0.25 0.59 0.29 -0.33 0.37 0.00 0.00 175.52 176.18 1nsh h GLU 34 N 0.15 0.00 -0.06 6.66 5.08 -1.20 0.37 114.58 125.58 1nsh h GLU 34 Ca -0.06 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1nsh h GLU 34 Cb 1.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1nsh h GLU 34 CO 0.13 0.00 -0.62 0.35 -1.00 0.00 0.00 179.01 177.87 1nsh h PHE 35 N 0.00 0.28 -0.03 4.33 3.04 -1.21 -2.74 116.94 120.60 1nsh h PHE 35 Ca 0.18 -0.11 0.03 0.00 3.98 0.00 0.00 57.97 62.04 1nsh h PHE 35 Cb 0.74 -0.05 -0.06 0.00 2.56 0.00 0.00 35.95 39.15 1nsh h PHE 35 CO 0.00 0.78 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.50 1nsh h LEU 36 N 0.16 -1.56 -0.44 0.59 -0.00 -0.19 0.44 115.31 114.31 1nsh h LEU 36 Ca -0.01 0.18 -0.03 0.00 -0.00 0.00 0.00 57.88 58.02 1nsh h LEU 36 Cb 1.13 0.60 -0.02 0.00 -0.00 0.00 0.00 40.66 42.37 1nsh h LEU 36 CO 0.09 -0.50 0.15 -1.28 -0.00 0.00 0.00 178.44 176.91 1nsh h SER 37 N -0.63 0.63 -0.19 -0.43 0.87 -1.59 -1.69 113.55 110.52 1nsh h SER 37 Ca 0.03 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.45 1nsh h SER 37 Cb 0.70 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1nsh h SER 37 CO -0.37 0.66 0.14 0.15 -0.53 0.00 0.00 176.83 176.88 1nsh h PHE 38 N 0.57 0.00 0.05 2.24 3.57 -1.09 0.35 116.94 122.63 1nsh h PHE 38 Ca 0.14 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 1nsh h PHE 38 Cb 0.24 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.99 1nsh h PHE 38 CO 0.01 0.00 -0.44 1.98 -2.23 0.00 0.00 178.31 177.63 1nsh h MET 39 N 0.00 0.21 0.00 1.11 4.05 0.39 -2.15 114.93 118.54 1nsh h MET 39 Ca 0.09 -0.29 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 1nsh h MET 39 Cb 0.37 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.27 1nsh h MET 39 CO -0.00 1.07 0.00 -0.91 0.23 0.00 0.00 176.91 177.30 1nsh h ASN 40 N -0.51 0.00 0.17 1.39 2.35 -0.76 0.91 115.58 119.14 1nsh h ASN 40 Ca -0.07 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.33 1nsh h ASN 40 Cb 1.26 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.58 1nsh h ASN 40 CO 0.08 0.00 -2.11 1.07 -1.65 0.00 0.00 177.43 174.83 1nsh n THR 41 N -3.05 1.60 -1.49 2.81 5.66 0.06 -4.30 114.28 115.57 1nsh n THR 41 Ca 0.00 -0.71 0.06 0.00 -3.05 0.00 0.00 64.05 60.35 1nsh n THR 41 Cb 0.28 -1.23 0.08 0.00 -1.55 0.00 0.00 70.33 67.91 1nsh n THR 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1nsh n GLU 42 N -3.18 0.72 -2.62 1.09 -0.58 -0.81 -4.79 120.64 110.48 1nsh n GLU 42 Ca -0.31 -1.91 -0.04 0.00 -0.42 0.00 0.00 57.16 54.48 1nsh n GLU 42 Cb 1.06 -1.06 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1nsh n LEU 43 N -0.80 -1.54 0.19 -4.62 4.77 0.31 -4.95 117.00 110.36 1nsh n LEU 43 Ca 0.09 -3.13 0.07 0.00 -0.03 0.00 0.00 56.01 53.02 1nsh n LEU 43 Cb 0.67 0.15 0.27 0.00 -2.33 0.00 0.00 43.42 42.18 1nsh n LEU 43 CO 0.00 1.72 0.68 0.00 -1.33 0.00 0.00 177.39 178.47 1nsh h ALA 44 N 1.33 0.89 0.00 -1.18 0.00 -1.59 -2.96 119.26 115.75 1nsh h ALA 44 Ca -0.37 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1nsh h ALA 44 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nsh h ALA 44 CO -0.14 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.50 1nsh n ALA 45 N -2.21 1.52 -0.26 0.00 0.00 -1.26 0.11 120.51 118.40 1nsh n ALA 45 Ca 0.01 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.60 1nsh n ALA 45 Cb 0.55 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.82 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 -2.16 0.51 0.00 0.00 3.01 -1.12 -4.67 117.46 113.04 1nsh n PHE 46 Ca 0.01 -0.54 0.00 0.00 1.01 0.00 0.00 57.45 57.93 1nsh n PHE 46 Cb 0.18 -0.06 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 0.38 0.00 0.00 4.37 -2.24 -0.77 -4.80 114.28 111.22 1nsh n THR 47 Ca 0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1nsh n THR 47 Cb 0.47 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 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 -1.00 0.00 0.27 -0.78 5.02 0.30 -0.71 118.16 121.27 1nsh n LYS 48 Ca 0.00 0.49 0.18 0.00 -2.02 0.00 0.00 58.31 56.96 1nsh n LYS 48 Cb 0.00 -1.01 0.96 0.00 -0.02 0.00 0.00 35.03 34.96 1nsh n LYS 48 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1nsh h ASN 49 N 0.00 0.00 -1.07 4.39 -1.24 -1.88 -3.45 115.58 112.33 1nsh h ASN 49 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 56.30 56.75 1nsh h ASN 49 Cb 0.00 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.98 1nsh h ASN 49 CO 0.00 0.00 -0.27 1.67 -1.29 0.00 0.00 177.43 177.54 1nsh n GLN 50 N -2.78 -0.94 -1.83 6.67 0.00 0.12 -4.96 117.38 113.66 1nsh n GLN 50 Ca -0.02 0.83 -0.40 0.00 -0.00 0.00 0.00 57.00 57.40 1nsh n GLN 50 Cb 0.08 -4.94 0.00 0.00 0.00 0.00 0.00 30.24 25.39 1nsh n GLN 50 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 1nsh s LYS 51 N -3.67 3.96 -0.09 3.69 1.02 -1.26 -4.40 119.74 118.98 1nsh s LYS 51 Ca 0.00 2.48 -0.07 0.00 0.02 0.00 0.00 55.97 58.40 1nsh s LYS 51 Cb 0.00 -2.85 0.03 0.00 -0.52 0.00 0.00 37.83 34.49 1nsh s LYS 51 CO 0.00 -0.62 0.13 -3.47 -0.92 0.00 0.00 175.35 170.48 1nsh n ASP 52 N 0.22 -3.16 -1.10 2.83 -0.08 -1.26 -4.85 116.55 109.15 1nsh n ASP 52 Ca 0.03 1.22 -0.01 0.00 -1.51 0.00 0.00 54.79 54.52 1nsh n ASP 52 Cb 0.40 -4.39 0.12 0.00 2.34 0.00 0.00 41.12 39.59 1nsh n ASP 52 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1nsh n PRO 53 N 1.40 2.09 0.00 -0.67 -0.04 -1.26 -3.67 135.00 132.84 1nsh n PRO 53 Ca -0.23 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1nsh n PRO 53 Cb 0.35 -1.66 0.00 0.00 -0.04 0.00 0.00 33.50 32.15 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 0.14 -0.46 0.08 0.55 0.00 -1.26 -4.54 105.19 99.70 1nsh n GLY 54 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.98 1nsh n GLY 54 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nsh h VAL 55 N 0.36 1.24 0.05 1.61 -1.51 -1.80 -3.18 116.25 113.02 1nsh h VAL 55 Ca 0.00 -2.14 -0.00 0.00 -1.23 0.00 0.00 66.70 63.33 1nsh h VAL 55 Cb 0.18 2.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.89 1nsh h VAL 55 CO 0.00 0.42 -0.02 0.25 -1.23 0.00 0.00 177.57 176.99 1nsh h LEU 56 N -1.00 -0.06 -2.03 4.19 6.46 -1.87 -3.26 115.31 117.74 1nsh h LEU 56 Ca -0.15 -0.60 0.10 0.00 -0.12 0.00 0.00 57.88 57.11 1nsh h LEU 56 Cb 1.05 0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.98 1nsh h LEU 56 CO -0.09 0.63 0.25 -0.78 -0.62 0.00 0.00 178.44 177.84 1nsh h ASP 57 N -0.82 0.00 0.16 1.25 3.58 -1.80 -2.35 116.42 116.45 1nsh h ASP 57 Ca -0.01 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 1nsh h ASP 57 Cb 0.65 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.70 1nsh h ASP 57 CO 0.01 0.00 -0.12 0.03 -2.88 0.00 0.00 179.24 176.28 1nsh h ARG 58 N 0.00 -0.28 -0.04 0.28 2.47 -1.58 0.30 114.38 115.53 1nsh h ARG 58 Ca 0.16 0.02 0.03 0.00 -1.26 0.00 0.00 59.98 58.93 1nsh h ARG 58 Cb 0.66 0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 29.00 1nsh h ARG 58 CO -0.00 -0.18 -0.19 0.00 0.56 0.00 0.00 179.97 180.15 1nsh h MET 59 N -0.29 -0.28 0.00 0.04 -0.00 -1.51 0.42 114.93 113.31 1nsh h MET 59 Ca -0.01 0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1nsh h MET 59 Cb 0.25 0.06 -0.00 0.00 -0.00 0.00 0.00 31.60 31.91 1nsh h MET 59 CO -0.00 -0.19 -0.11 0.52 -0.00 0.00 0.00 176.91 177.13 1nsh h MET 60 N -0.29 0.00 0.13 -0.10 2.86 -1.49 0.67 114.93 116.71 1nsh h MET 60 Ca 0.07 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.41 1nsh h MET 60 Cb 0.39 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.08 1nsh h MET 60 CO -0.20 0.11 -1.25 0.87 1.06 0.00 0.00 176.91 177.49 1nsh h LYS 61 N 0.00 0.61 0.00 1.72 6.56 0.23 -3.28 116.57 122.42 1nsh h LYS 61 Ca -0.00 -0.84 -0.06 0.00 -1.06 0.00 0.00 60.65 58.69 1nsh h LYS 61 Cb 0.22 0.28 -0.01 0.00 -0.57 0.00 0.00 32.23 32.15 1nsh h LYS 61 CO 0.01 1.38 -0.29 -0.22 -2.06 0.00 0.00 179.45 178.28 1nsh h LYS 62 N 0.24 0.00 -0.45 3.15 3.11 0.33 -3.29 116.57 119.66 1nsh h LYS 62 Ca -0.19 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 57.67 1nsh h LYS 62 Cb 1.93 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 33.13 1nsh h LYS 62 CO 0.24 0.27 0.25 1.25 -2.81 0.00 0.00 179.45 178.65 1nsh h LEU 63 N 0.00 0.38 -1.69 5.20 7.12 0.27 -3.47 115.31 123.12 1nsh h LEU 63 Ca -0.00 0.01 -0.25 0.00 0.13 0.00 0.00 57.88 57.77 1nsh h LEU 63 Cb 1.21 -0.06 0.13 0.00 -0.53 0.00 0.00 40.66 41.41 1nsh h LEU 63 CO 0.04 0.27 -0.57 -0.67 -0.13 0.00 0.00 178.44 177.37 1nsh n ASP 64 N -4.87 -2.23 -4.53 1.25 2.03 -1.24 -4.80 116.55 102.15 1nsh n ASP 64 Ca 0.03 -0.46 -0.25 0.00 0.52 0.00 0.00 54.79 54.62 1nsh n ASP 64 Cb 0.09 -3.95 -0.11 0.00 -0.72 0.00 0.00 41.12 36.43 1nsh n ASP 64 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1nsh n LEU 65 N -3.37 0.88 0.04 -2.67 7.99 -1.26 -3.47 117.00 115.13 1nsh n LEU 65 Ca -0.20 -0.75 0.00 0.00 -0.01 0.00 0.00 56.01 55.05 1nsh n LEU 65 Cb 0.62 -1.25 0.00 0.00 -0.11 0.00 0.00 43.42 42.69 1nsh n LEU 65 CO 0.46 -1.77 0.00 -3.20 -1.51 0.00 0.00 177.39 171.36 1nsh n ASN 66 N 13.49 -0.71 -4.75 -1.43 2.85 -1.26 -5.06 115.26 118.40 1nsh n ASN 66 Ca 0.53 0.38 -0.41 0.00 -0.11 0.00 0.00 54.58 54.97 1nsh n ASN 66 Cb 0.32 0.93 -0.03 0.00 1.24 0.00 0.00 39.78 42.24 1nsh n ASN 66 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1nsh s SER 67 N -2.00 6.96 0.00 1.20 1.04 -1.23 -3.50 113.70 116.17 1nsh s SER 67 Ca 0.00 2.41 0.00 0.00 0.48 0.00 0.00 55.95 58.84 1nsh s SER 67 Cb 0.00 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1nsh s SER 67 CO 0.00 -0.45 0.00 -0.67 0.98 0.00 0.00 173.24 173.10 1nsh n ASP 68 N 2.07 0.00 0.00 7.02 -0.08 -1.26 -4.05 116.55 120.25 1nsh n ASP 68 Ca 0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1nsh n ASP 68 Cb 0.43 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.89 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1nsh n GLY 69 N 0.00 1.03 3.72 0.27 0.00 -1.23 -5.08 105.19 103.89 1nsh n GLY 69 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.37 1.62 0.00 1.61 -1.52 -1.26 -5.04 119.66 114.71 1nsh s GLN 70 Ca 0.00 -0.83 0.00 0.00 -1.95 0.00 0.00 55.36 52.58 1nsh s GLN 70 Cb 0.00 0.60 0.00 0.00 -0.22 0.00 0.00 33.01 33.39 1nsh s GLN 70 CO 0.00 -0.73 0.00 1.28 -0.25 0.00 0.00 175.29 175.59 1nsh n LEU 71 N -0.43 0.00 0.00 2.90 7.99 -0.71 -4.91 117.00 121.84 1nsh n LEU 71 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.92 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 0.14 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 175.12 1nsh n ASP 72 N 0.00 0.00 -0.06 -1.43 5.75 -1.26 -4.64 116.55 114.91 1nsh n ASP 72 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.76 1nsh n ASP 72 Cb 0.00 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.08 1nsh n ASP 72 CO 0.00 0.00 0.00 2.19 -0.11 0.00 0.00 177.20 179.28 1nsh h PHE 73 N 0.00 0.00 0.03 2.11 -0.00 -1.99 -3.40 116.94 113.70 1nsh h PHE 73 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.97 57.74 1nsh h PHE 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 35.95 1nsh h PHE 73 CO 0.00 0.01 -1.01 0.37 -0.00 0.00 0.00 178.31 177.68 1nsh h GLN 74 N -1.00 0.34 -0.70 6.09 5.75 -1.99 -3.18 115.11 120.43 1nsh h GLN 74 Ca -0.00 -0.42 0.20 0.00 -0.15 0.00 0.00 58.65 58.29 1nsh h GLN 74 Cb 0.23 0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.88 1nsh h GLN 74 CO -0.00 1.11 0.69 1.05 -2.65 0.00 0.00 178.83 179.04 1nsh h GLU 75 N 0.17 0.00 0.06 1.69 9.09 -1.95 1.95 114.58 125.59 1nsh h GLU 75 Ca -0.09 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.32 1nsh h GLU 75 Cb 1.67 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.77 1nsh h GLU 75 CO 0.17 0.00 -0.03 0.35 0.05 0.00 0.00 179.01 179.55 1nsh h PHE 76 N 0.00 -0.07 -0.50 2.06 3.04 -1.75 1.53 116.94 121.25 1nsh h PHE 76 Ca 0.33 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.34 1nsh h PHE 76 Cb 1.72 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 40.22 1nsh h PHE 76 CO 0.00 0.47 0.34 -0.07 -2.02 0.00 0.00 178.31 177.03 1nsh h LEU 77 N -0.94 0.38 0.03 0.59 3.38 -0.58 0.78 115.31 118.95 1nsh h LEU 77 Ca -0.01 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 1nsh h LEU 77 Cb 0.57 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.26 1nsh h LEU 77 CO 0.01 0.25 -0.75 -1.13 0.09 0.00 0.00 178.44 176.91 1nsh h ASN 78 N 0.43 0.60 0.60 -0.43 -1.24 0.29 1.43 115.58 117.27 1nsh h ASN 78 Ca 0.22 -0.79 -0.02 0.00 0.71 0.00 0.00 56.30 56.41 1nsh h ASN 78 Cb 0.31 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1nsh h ASN 78 CO -0.06 1.33 -0.38 -0.07 -1.29 0.00 0.00 177.43 176.96 1nsh h LEU 79 N -0.05 -0.97 0.08 0.34 4.07 0.40 0.30 115.31 119.47 1nsh h LEU 79 Ca -0.10 0.06 -0.18 0.00 0.08 0.00 0.00 57.88 57.74 1nsh h LEU 79 Cb 1.47 0.29 0.02 0.00 1.08 0.00 0.00 40.66 43.52 1nsh h LEU 79 CO 0.15 -0.59 -0.74 -0.29 -1.08 0.00 0.00 178.44 175.88 1nsh h ILE 80 N -0.94 1.46 -0.35 1.22 -0.00 0.39 -3.20 117.51 116.09 1nsh h ILE 80 Ca -0.07 -2.32 0.07 0.00 -0.00 0.00 0.00 64.86 62.54 1nsh h ILE 80 Cb 0.77 2.89 -0.07 0.00 -0.00 0.00 0.00 36.82 40.41 1nsh h ILE 80 CO 0.07 0.67 -0.10 1.23 -0.00 0.00 0.00 178.15 180.01 1nsh h GLY 81 N -0.21 0.23 0.13 8.18 0.00 0.20 0.54 103.07 112.14 1nsh h GLY 81 Ca -0.11 0.13 0.18 0.00 0.00 0.00 0.00 47.33 47.52 1nsh h GLY 81 CO 0.14 -0.14 0.53 -1.33 0.00 0.00 0.00 176.54 175.74 1nsh h GLY 82 N -0.02 1.63 0.79 4.60 0.00 -0.49 0.38 103.07 109.97 1nsh h GLY 82 Ca 0.17 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.22 1nsh h GLY 82 CO -0.37 -0.07 0.19 1.41 0.00 0.00 0.00 176.54 177.71 1nsh h LEU 83 N 0.69 0.28 -1.81 3.11 3.38 -0.91 0.03 115.31 120.08 1nsh h LEU 83 Ca 0.54 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.65 1nsh h LEU 83 Cb 0.83 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1nsh h LEU 83 CO -0.39 0.20 0.38 0.00 0.09 0.00 0.00 178.44 178.73 1nsh h ALA 84 N 1.21 2.24 0.00 1.53 0.00 -0.16 0.79 119.26 124.86 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 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nsh h ALA 84 CO -0.12 -0.38 -0.45 0.28 0.00 0.00 0.00 179.25 178.57 1nsh h VAL 85 N 0.21 0.00 -0.20 0.00 2.07 -0.70 0.44 116.25 118.07 1nsh h VAL 85 Ca 0.26 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1nsh h VAL 85 Cb 0.75 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1nsh h VAL 85 CO -0.05 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.54 1nsh n ALA 86 N -1.99 2.38 0.00 1.67 0.00 0.61 -2.94 120.51 120.25 1nsh n ALA 86 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 53.44 51.82 1nsh n ALA 86 Cb 0.49 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 3.51 -0.68 0.00 5.04 0.16 -4.96 115.29 117.35 1nsh s HIS 88 Ca 0.00 0.62 -0.26 0.00 -1.54 0.00 0.00 55.06 53.88 1nsh s HIS 88 Cb 0.00 -2.11 -0.11 0.00 0.04 0.00 0.00 32.58 30.39 1nsh s HIS 88 CO 0.00 0.01 2.40 -2.00 -2.34 0.00 0.00 174.74 172.81 1nsh s GLU 89 N -4.17 1.78 0.09 2.88 -6.30 -1.26 -4.23 118.70 107.49 1nsh s GLU 89 Ca 0.44 0.81 0.00 0.00 -2.50 0.00 0.00 54.97 53.72 1nsh s GLU 89 Cb -0.10 -4.71 0.00 0.00 0.00 0.00 0.00 34.13 29.31 1nsh s GLU 89 CO 0.36 -4.02 0.00 0.43 0.02 0.00 0.00 175.26 172.05 1nsh n SER 90 N 17.65 -0.53 0.00 -1.70 7.64 -1.26 -5.01 113.62 130.40 1nsh n SER 90 Ca 0.43 0.16 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1nsh n SER 90 Cb 0.47 0.72 0.00 0.00 -1.01 0.00 0.00 64.21 64.39 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 -2.72 0.00 0.06 1.43 3.72 -1.25 -4.68 117.46 114.02 1nsh n PHE 91 Ca 0.00 0.00 0.21 0.00 -0.05 0.00 0.00 57.45 57.61 1nsh n PHE 91 Cb 0.00 0.00 0.72 0.00 -0.94 0.00 0.00 39.48 39.26 1nsh n PHE 91 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 176.76 176.32 1nsh h VAL 92 N 0.00 0.35 -1.17 -4.37 -1.51 -1.74 -1.95 116.25 105.86 1nsh h VAL 92 Ca 0.00 0.00 -0.55 0.00 -1.23 0.00 0.00 66.70 64.92 1nsh h VAL 92 Cb 0.95 0.60 -0.18 0.00 -2.13 0.00 0.00 31.29 30.52 1nsh h VAL 92 CO 0.00 0.00 0.62 1.17 -1.23 0.00 0.00 177.57 178.13 1nsh n LYS 93 N -3.70 2.65 0.00 5.19 0.00 -1.26 -3.86 118.16 117.18 1nsh n LYS 93 Ca 0.09 -2.57 0.00 0.00 0.00 0.00 0.00 58.31 55.83 1nsh n LYS 93 Cb 0.70 -2.20 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1nsh n ALA 94 N 0.81 0.66 -3.19 3.14 0.00 -0.73 -5.01 120.51 116.18 1nsh n ALA 94 Ca 0.50 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.72 1nsh n ALA 94 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.89 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 -2.13 2.73 -0.12 0.00 0.00 -1.24 -4.97 120.51 114.78 1nsh n ALA 95 Ca 0.00 -3.72 -0.06 0.00 0.00 0.00 0.00 53.44 49.66 1nsh n ALA 95 Cb 0.00 -0.86 0.02 0.00 0.00 0.00 0.00 19.45 18.61 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 3.52 0.36 0.23 0.00 0.11 -1.88 -3.15 132.00 131.19 1nsh h PRO 96 Ca 0.10 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 65.86 1nsh h PRO 96 Cb 0.84 -0.08 0.03 0.00 0.11 0.00 0.00 31.00 31.90 1nsh h PRO 96 CO 0.56 0.24 -1.51 -1.00 -0.21 0.00 0.00 178.00 176.08 1nsh h PRO 97 N 0.38 0.49 -7.06 1.05 0.13 -1.93 -3.46 132.00 121.59 1nsh h PRO 97 Ca 0.17 -0.83 -0.54 0.00 -0.87 0.00 0.00 66.00 63.93 1nsh h PRO 97 Cb 0.10 0.31 0.13 0.00 0.13 0.00 0.00 31.00 31.67 1nsh h PRO 97 CO -0.14 1.39 0.56 -0.65 -0.23 0.00 0.00 178.00 178.94 1nsh s GLN 98 N -2.60 3.11 -0.29 0.86 -0.21 -1.19 -5.02 119.66 114.31 1nsh s GLN 98 Ca -0.10 2.09 0.03 0.00 0.02 0.00 0.00 55.36 57.40 1nsh s GLN 98 Cb 0.05 -2.17 0.19 0.00 1.00 0.00 0.00 33.01 32.08 1nsh s GLN 98 CO 0.92 -1.17 0.56 -1.59 -2.12 0.00 0.00 175.29 171.90 1nsh s LYS 99 N -3.01 0.54 -0.30 2.91 -2.85 -1.26 -4.91 119.74 110.85 1nsh s LYS 99 Ca 0.73 0.67 -0.01 0.00 -1.00 0.00 0.00 55.97 56.36 1nsh s LYS 99 Cb -0.37 0.26 0.19 0.00 -2.06 0.00 0.00 37.83 35.85 1nsh s LYS 99 CO 0.43 -0.87 0.78 -0.98 0.10 0.00 0.00 175.35 174.80 1nsh s ARG 100 N 2.79 0.40 0.00 1.78 1.04 -1.26 -5.27 118.95 118.44 1nsh s ARG 100 Ca 0.14 0.36 0.00 0.00 -1.04 0.00 0.00 55.73 55.19 1nsh s ARG 100 Cb -0.12 0.17 0.00 0.00 -2.04 0.00 0.00 34.95 32.96 1nsh s ARG 100 CO -0.24 -0.74 0.00 1.19 -0.04 0.00 0.00 175.30 175.47