#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 2.95 0.00 1.43 0.52 -1.26 -5.12 118.95 117.47 1nsh s ARG 2 Ca 0.00 -1.11 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 1nsh s ARG 2 Cb 0.00 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.69 1nsh s ARG 2 CO 0.00 -0.14 0.00 -2.30 0.02 0.00 0.00 175.30 172.88 1nsh n PRO 3 N -1.78 0.00 -3.63 3.54 -0.02 -1.26 -5.09 135.00 126.76 1nsh n PRO 3 Ca 0.04 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.49 1nsh n PRO 3 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.02 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 0.24 3.45 -1.32 -1.26 -4.97 115.64 111.78 1nsh s THR 4 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 1nsh s THR 4 Cb 0.00 -1.00 0.30 0.00 -1.51 0.00 0.00 72.50 70.29 1nsh s THR 4 CO 0.00 0.00 1.61 -0.08 -2.21 0.00 0.00 174.62 173.94 1nsh h GLU 5 N 2.23 0.04 -0.52 7.08 4.57 -2.01 0.42 114.58 126.39 1nsh h GLU 5 Ca -0.11 -0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1nsh h GLU 5 Cb 1.18 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.74 1nsh h GLU 5 CO 0.23 0.02 0.08 1.15 -1.18 0.00 0.00 179.01 179.31 1nsh h THR 6 N 0.04 1.23 -0.97 0.32 2.02 -1.99 -2.56 112.91 111.00 1nsh h THR 6 Ca 0.39 -0.89 0.19 0.00 0.77 0.00 0.00 66.41 66.87 1nsh h THR 6 Cb 0.64 0.75 -0.09 0.00 -1.74 0.00 0.00 68.15 67.71 1nsh h THR 6 CO -0.74 0.33 0.61 -0.33 0.37 0.00 0.00 175.52 175.76 1nsh h GLU 7 N 0.78 0.64 0.00 6.66 4.39 -0.55 0.57 114.58 127.08 1nsh h GLU 7 Ca 0.16 -0.04 -0.13 0.00 0.34 0.00 0.00 59.36 59.69 1nsh h GLU 7 Cb 0.36 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1nsh h GLU 7 CO 0.01 0.43 -0.64 -0.09 -1.16 0.00 0.00 179.01 177.56 1nsh h ARG 8 N 0.66 0.00 0.16 2.33 2.43 -1.08 -3.22 114.38 115.67 1nsh h ARG 8 Ca 0.54 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.70 1nsh h ARG 8 Cb 0.96 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1nsh h ARG 8 CO -0.30 0.64 -0.08 0.00 -1.51 0.00 0.00 179.97 178.72 1nsh h ILE 10 N -0.68 0.25 -0.55 0.00 5.03 -0.90 -1.56 117.51 119.10 1nsh h ILE 10 Ca -0.02 0.00 0.16 0.00 -0.12 0.00 0.00 64.86 64.88 1nsh h ILE 10 Cb 0.49 0.25 -0.02 0.00 -3.03 0.00 0.00 36.82 34.52 1nsh h ILE 10 CO 0.04 0.00 0.50 -0.08 -0.68 0.00 0.00 178.15 177.93 1nsh h GLU 11 N -0.56 0.00 0.35 2.37 4.81 -1.65 -2.35 114.58 117.55 1nsh h GLU 11 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1nsh h GLU 11 Cb 0.61 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1nsh h GLU 11 CO -0.24 0.00 -0.17 0.77 -0.73 0.00 0.00 179.01 178.65 1nsh h SER 12 N 0.00 -0.39 0.53 1.04 0.02 -1.19 -2.94 113.55 110.61 1nsh h SER 12 Ca 0.26 -0.16 -0.07 0.00 -0.84 0.00 0.00 61.79 60.98 1nsh h SER 12 Cb 1.26 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 1nsh h SER 12 CO -0.00 0.02 -0.33 -0.07 -1.14 0.00 0.00 176.83 175.30 1nsh h LEU 13 N -0.89 0.00 -0.75 5.07 -0.00 -1.38 -2.18 115.31 115.18 1nsh h LEU 13 Ca -0.05 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 1nsh h LEU 13 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.18 1nsh h LEU 13 CO 0.08 0.33 -0.28 0.40 -0.00 0.00 0.00 178.44 178.97 1nsh h ILE 14 N 0.00 1.28 0.06 1.22 2.04 -1.51 -3.15 117.51 117.45 1nsh h ILE 14 Ca -0.00 -1.38 -0.24 0.00 1.00 0.00 0.00 64.86 64.24 1nsh h ILE 14 Cb 0.69 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 1nsh h ILE 14 CO 0.04 0.45 -1.10 0.00 0.00 0.00 0.00 178.15 177.54 1nsh h ALA 15 N 1.14 0.24 -0.95 1.87 0.00 -1.31 -1.85 119.26 118.40 1nsh h ALA 15 Ca 0.07 -0.88 0.20 0.00 0.00 0.00 0.00 54.91 54.30 1nsh h ALA 15 Cb 0.76 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.40 1nsh h ALA 15 CO 0.06 1.08 0.61 -0.39 0.00 0.00 0.00 179.25 180.61 1nsh h VAL 16 N 0.05 0.70 0.07 0.00 -1.51 -1.35 0.53 116.25 114.73 1nsh h VAL 16 Ca -0.07 -0.20 -0.00 0.00 -1.23 0.00 0.00 66.70 65.20 1nsh h VAL 16 Cb 1.84 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1nsh h VAL 16 CO 0.17 0.10 -0.03 0.15 -1.23 0.00 0.00 177.57 176.73 1nsh h PHE 17 N 0.57 -0.09 -1.06 5.19 3.57 -1.57 -3.33 116.94 120.22 1nsh h PHE 17 Ca 0.52 -0.00 0.29 0.00 3.53 0.00 0.00 57.97 62.31 1nsh h PHE 17 Cb 1.05 0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1nsh h PHE 17 CO -0.00 0.08 0.73 1.96 -2.23 0.00 0.00 178.31 178.85 1nsh h GLN 18 N -1.01 0.18 0.09 1.11 1.08 -0.69 0.88 115.11 116.75 1nsh h GLN 18 Ca -0.01 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1nsh h GLN 18 Cb 0.21 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 1nsh h GLN 18 CO 0.02 0.12 -0.12 -0.22 -0.95 0.00 0.00 178.83 177.68 1nsh h LYS 19 N 0.18 -0.24 0.06 1.46 1.63 -0.06 1.21 116.57 120.81 1nsh h LYS 19 Ca 0.55 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.27 1nsh h LYS 19 Cb 1.81 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 33.49 1nsh h LYS 19 CO -0.14 -0.16 -0.48 1.88 -3.45 0.00 0.00 179.45 177.11 1nsh h TYR 20 N -0.24 0.22 0.00 1.91 -1.99 -1.30 -3.28 116.97 112.28 1nsh h TYR 20 Ca 0.01 -0.16 0.00 0.00 2.00 0.00 0.00 58.73 60.58 1nsh h TYR 20 Cb 0.25 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.97 1nsh h TYR 20 CO -0.13 1.18 0.00 0.00 -0.00 0.00 0.00 178.16 179.21 1nsh h ALA 21 N -0.01 1.00 -2.64 3.88 0.00 0.71 -3.43 119.26 118.77 1nsh h ALA 21 Ca -0.10 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.32 1nsh h ALA 21 Cb 1.30 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.10 1nsh h ALA 21 CO 0.04 0.00 0.43 0.20 0.00 0.00 0.00 179.25 179.92 1nsh s GLY 22 N -3.81 2.90 0.00 0.00 0.00 0.41 -4.67 107.32 102.16 1nsh s GLY 22 Ca -0.03 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.46 1nsh s GLY 22 CO 0.31 1.28 0.00 1.17 0.00 0.00 0.00 173.10 175.86 1nsh n LYS 23 N 0.56 0.00 -3.88 2.90 4.81 -1.26 -4.97 118.16 116.31 1nsh n LYS 23 Ca 0.02 0.00 -0.08 0.00 -0.87 0.00 0.00 58.31 57.38 1nsh n LYS 23 Cb 0.47 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.49 1nsh n LYS 23 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1nsh s ASP 24 N -1.39 -0.21 -1.36 3.14 -1.08 -1.26 -5.06 116.67 109.45 1nsh s ASP 24 Ca 0.00 -0.69 -0.13 0.00 -0.52 0.00 0.00 52.55 51.21 1nsh s ASP 24 Cb 0.00 0.67 -0.04 0.00 -1.46 0.00 0.00 42.92 42.09 1nsh s ASP 24 CO 0.00 -1.25 2.40 0.61 0.52 0.00 0.00 175.17 177.45 1nsh n GLY 25 N -0.42 3.97 0.00 2.66 0.00 -1.26 -3.21 105.19 106.93 1nsh n GLY 25 Ca -0.04 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1nsh n GLY 25 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1nsh n HIS 26 N 5.34 0.00 -1.69 1.61 -0.00 -1.26 -5.14 115.22 114.08 1nsh n HIS 26 Ca 0.59 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.90 1nsh n HIS 26 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.32 1nsh n HIS 26 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1nsh n SER 27 N -0.65 2.38 -0.89 0.26 3.41 -1.20 -4.92 113.62 112.00 1nsh n SER 27 Ca 0.00 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.70 1nsh n SER 27 Cb 0.00 -1.49 -0.00 0.00 -0.26 0.00 0.00 64.21 62.46 1nsh n SER 27 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1nsh n VAL 28 N -0.31 0.00 -3.91 -3.33 3.14 -1.26 -4.93 118.33 107.74 1nsh n VAL 28 Ca 0.07 -0.33 -0.10 0.00 -2.96 0.00 0.00 64.34 61.02 1nsh n VAL 28 Cb 0.40 0.58 -0.10 0.00 -1.06 0.00 0.00 33.84 33.66 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 0.00 0.10 0.00 1.55 -4.23 -1.26 -4.38 115.64 107.42 1nsh s THR 29 Ca 0.11 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1nsh s THR 29 Cb 0.13 -0.47 0.00 0.00 1.34 0.00 0.00 72.50 73.49 1nsh s THR 29 CO -0.06 -0.45 0.00 -0.11 -0.54 0.00 0.00 174.62 173.46 1nsh n LEU 30 N 1.36 0.00 -3.78 4.79 0.00 -1.26 -4.75 117.00 113.36 1nsh n LEU 30 Ca -0.22 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.66 1nsh n LEU 30 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 43.42 43.88 1nsh n LEU 30 CO 0.21 0.00 -0.02 -0.44 0.00 0.00 0.00 177.39 177.14 1nsh s SER 31 N -0.23 -0.19 0.22 1.96 0.01 -1.26 -1.90 113.70 112.32 1nsh s SER 31 Ca 0.00 0.16 -0.07 0.00 1.31 0.00 0.00 55.95 57.35 1nsh s SER 31 Cb 0.00 0.37 0.35 0.00 0.21 0.00 0.00 66.02 66.95 1nsh s SER 31 CO 0.00 -0.35 1.75 0.11 0.41 0.00 0.00 173.24 175.16 1nsh h LYS 32 N 4.35 0.47 -0.05 12.44 6.56 -2.00 -1.41 116.57 136.93 1nsh h LYS 32 Ca -0.29 -0.03 -0.21 0.00 -1.06 0.00 0.00 60.65 59.06 1nsh h LYS 32 Cb 1.18 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1nsh h LYS 32 CO 0.38 0.31 -0.84 1.15 -2.06 0.00 0.00 179.45 178.38 1nsh h THR 33 N 0.48 1.37 -0.53 -0.16 2.02 -1.97 -1.74 112.91 112.38 1nsh h THR 33 Ca 0.35 -2.25 0.14 0.00 0.77 0.00 0.00 66.41 65.43 1nsh h THR 33 Cb 0.45 2.23 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1nsh h THR 33 CO -0.32 0.68 0.37 -0.33 0.37 0.00 0.00 175.52 176.29 1nsh h GLU 34 N 0.31 0.06 0.06 6.66 3.07 -1.69 1.31 114.58 124.37 1nsh h GLU 34 Ca -0.06 -0.00 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1nsh h GLU 34 Cb 1.46 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.36 1nsh h GLU 34 CO 0.15 0.04 -0.50 0.35 -1.40 0.00 0.00 179.01 177.66 1nsh h PHE 35 N 0.06 0.23 0.00 4.33 3.04 -1.19 -1.88 116.94 121.54 1nsh h PHE 35 Ca 0.25 -0.17 -0.03 0.00 3.98 0.00 0.00 57.97 62.00 1nsh h PHE 35 Cb 0.91 -0.01 -0.00 0.00 2.56 0.00 0.00 35.95 39.41 1nsh h PHE 35 CO -0.00 1.19 -0.14 1.37 -2.02 0.00 0.00 178.31 178.71 1nsh h LEU 36 N -0.72 0.00 0.00 0.59 8.10 -0.21 -0.66 115.31 122.41 1nsh h LEU 36 Ca -0.10 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.70 1nsh h LEU 36 Cb 1.31 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.51 1nsh h LEU 36 CO 0.04 0.14 -0.95 0.28 -4.11 0.00 0.00 178.44 173.84 1nsh h SER 37 N 0.00 0.00 0.42 0.17 0.02 0.16 -3.34 113.55 110.97 1nsh h SER 37 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 1nsh h SER 37 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 1nsh h SER 37 CO 0.02 0.84 -0.24 0.15 -1.14 0.00 0.00 176.83 176.45 1nsh h PHE 38 N 0.00 -0.64 -1.12 3.45 3.04 -0.26 -2.29 116.94 119.12 1nsh h PHE 38 Ca -0.04 -0.01 0.32 0.00 3.98 0.00 0.00 57.97 62.22 1nsh h PHE 38 Cb 1.68 0.22 -0.05 0.00 2.56 0.00 0.00 35.95 40.36 1nsh h PHE 38 CO 0.00 -0.38 0.80 0.52 -2.02 0.00 0.00 178.31 177.23 1nsh h MET 39 N -0.63 0.01 0.00 1.11 0.00 -1.59 0.82 114.93 114.66 1nsh h MET 39 Ca -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.65 1nsh h MET 39 Cb 0.51 -0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.11 1nsh h MET 39 CO 0.06 0.00 0.00 -0.91 0.00 0.00 0.00 176.91 176.06 1nsh h ASN 40 N 0.01 0.00 0.00 1.22 2.35 -1.56 1.02 115.58 118.62 1nsh h ASN 40 Ca 0.53 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.96 1nsh h ASN 40 Cb 2.13 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 40.45 1nsh h ASN 40 CO -0.01 0.00 -2.05 1.07 -1.65 0.00 0.00 177.43 174.79 1nsh n THR 41 N -3.01 1.16 0.00 2.81 5.66 0.27 -4.84 114.28 116.34 1nsh n THR 41 Ca 0.02 -0.25 0.00 0.00 -3.05 0.00 0.00 64.05 60.77 1nsh n THR 41 Cb 0.37 -1.81 0.00 0.00 -1.55 0.00 0.00 70.33 67.34 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 -3.95 3.68 -2.25 1.09 -0.58 -0.44 -4.80 120.64 113.39 1nsh n GLU 42 Ca -0.39 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.08 1nsh n GLU 42 Cb 0.76 -0.42 0.01 0.00 -0.57 0.00 0.00 31.44 31.22 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 -0.66 5.14 0.04 -4.62 4.77 -1.15 -4.70 117.00 115.82 1nsh n LEU 43 Ca 0.00 -5.01 -0.08 0.00 -0.03 0.00 0.00 56.01 50.88 1nsh n LEU 43 Cb 0.00 -0.50 -0.13 0.00 -2.33 0.00 0.00 43.42 40.46 1nsh n LEU 43 CO 0.00 2.13 -0.08 0.00 -1.33 0.00 0.00 177.39 178.11 1nsh h ALA 44 N 2.48 0.46 -0.34 -1.18 0.00 0.83 -3.28 119.26 118.23 1nsh h ALA 44 Ca 0.36 -1.08 0.10 0.00 0.00 0.00 0.00 54.91 54.29 1nsh h ALA 44 Cb 1.02 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1nsh h ALA 44 CO 0.91 1.33 0.35 0.00 0.00 0.00 0.00 179.25 181.84 1nsh h ALA 45 N 0.95 2.03 -0.60 0.00 0.00 -1.84 1.01 119.26 120.82 1nsh h ALA 45 Ca -0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1nsh h ALA 45 Cb 1.86 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.60 1nsh h ALA 45 CO 0.12 -0.53 0.15 1.19 0.00 0.00 0.00 179.25 180.19 1nsh n PHE 46 N -3.79 2.04 0.00 0.00 3.01 -1.24 -4.36 117.46 113.13 1nsh n PHE 46 Ca 0.05 -0.91 0.00 0.00 1.01 0.00 0.00 57.45 57.60 1nsh n PHE 46 Cb 0.51 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.41 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 0.14 0.00 -1.33 4.37 -2.24 0.18 -4.83 114.28 110.58 1nsh n THR 47 Ca 0.32 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.71 1nsh n THR 47 Cb 1.20 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.51 0.21 0.00 -0.78 5.02 0.29 -1.82 118.16 119.58 1nsh n LYS 48 Ca 0.00 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 1nsh n LYS 48 Cb 0.00 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1nsh n LYS 48 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1nsh n ASN 49 N 1.63 0.00 -2.06 4.39 4.13 -1.26 -4.47 115.26 117.62 1nsh n ASN 49 Ca 0.09 0.00 -0.03 0.00 1.68 0.00 0.00 54.58 56.32 1nsh n ASN 49 Cb 0.48 0.00 0.01 0.00 -1.54 0.00 0.00 39.78 38.73 1nsh n ASN 49 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1nsh n GLN 50 N 0.00 -0.61 -0.27 3.52 0.00 -0.75 -4.98 117.38 114.28 1nsh n GLN 50 Ca 0.00 0.54 0.08 0.00 -0.00 0.00 0.00 57.00 57.62 1nsh n GLN 50 Cb 0.00 -2.95 0.23 0.00 0.00 0.00 0.00 30.24 27.52 1nsh n GLN 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1nsh n LYS 51 N -1.71 2.85 -3.20 3.69 4.81 -1.26 -4.65 118.16 118.69 1nsh n LYS 51 Ca -0.01 -2.34 -0.23 0.00 -0.87 0.00 0.00 58.31 54.86 1nsh n LYS 51 Cb 0.52 -1.42 -0.06 0.00 0.02 0.00 0.00 35.03 34.09 1nsh n LYS 51 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1nsh n ASP 52 N 0.96 0.54 -4.56 3.14 9.92 -1.26 -5.07 116.55 120.23 1nsh n ASP 52 Ca 0.17 -2.80 -0.17 0.00 -0.53 0.00 0.00 54.79 51.47 1nsh n ASP 52 Cb 0.53 -0.64 -0.06 0.00 -0.64 0.00 0.00 41.12 40.31 1nsh n ASP 52 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 1nsh s PRO 53 N -1.49 1.71 0.00 -0.24 0.02 -1.26 -2.30 135.00 131.44 1nsh s PRO 53 Ca 0.36 0.53 0.00 0.00 0.02 0.00 0.00 61.00 61.92 1nsh s PRO 53 Cb 0.20 -4.78 0.00 0.00 0.02 0.00 0.00 34.50 29.94 1nsh s PRO 53 CO -0.10 -4.26 0.00 0.41 -0.33 0.00 0.00 177.00 172.72 1nsh n GLY 54 N 6.73 0.22 0.07 0.52 0.00 -1.26 -5.03 105.19 106.43 1nsh n GLY 54 Ca 0.45 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 0.00 1.63 0.08 1.61 -1.51 -1.72 -2.47 116.25 113.88 1nsh h VAL 55 Ca 0.00 -2.00 -0.00 0.00 -1.23 0.00 0.00 66.70 63.46 1nsh h VAL 55 Cb 0.00 2.98 0.00 0.00 -2.13 0.00 0.00 31.29 32.14 1nsh h VAL 55 CO 0.00 0.51 -0.04 0.25 -1.23 0.00 0.00 177.57 177.06 1nsh h LEU 56 N -0.88 -0.09 -2.00 4.19 5.85 -1.88 -3.12 115.31 117.38 1nsh h LEU 56 Ca -0.00 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.33 1nsh h LEU 56 Cb 0.84 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.90 1nsh h LEU 56 CO 0.00 0.35 -0.05 -0.78 -0.34 0.00 0.00 178.44 177.62 1nsh h ASP 57 N -0.56 0.00 -0.62 1.25 3.58 -1.94 -1.99 116.42 116.14 1nsh h ASP 57 Ca -0.01 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.47 1nsh h ASP 57 Cb 0.47 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1nsh h ASP 57 CO 0.02 0.05 0.41 0.03 -2.88 0.00 0.00 179.24 176.87 1nsh h ARG 58 N 0.00 0.70 0.22 0.28 3.08 -1.37 -0.64 114.38 116.66 1nsh h ARG 58 Ca -0.00 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1nsh h ARG 58 Cb 0.10 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1nsh h ARG 58 CO 0.01 0.47 -0.11 0.00 -1.07 0.00 0.00 179.97 179.26 1nsh h MET 59 N 0.72 -0.29 0.00 0.04 -0.00 -1.40 -0.96 114.93 113.04 1nsh h MET 59 Ca 0.25 0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.96 1nsh h MET 59 Cb 0.08 0.07 -0.00 0.00 -0.00 0.00 0.00 31.60 31.75 1nsh h MET 59 CO -0.07 0.05 -0.05 0.52 -0.00 0.00 0.00 176.91 177.36 1nsh h MET 60 N -0.66 0.00 0.05 -0.10 2.86 -1.53 0.36 114.93 115.90 1nsh h MET 60 Ca -0.03 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1nsh h MET 60 Cb 0.47 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1nsh h MET 60 CO 0.05 0.05 -0.02 0.87 1.06 0.00 0.00 176.91 178.92 1nsh h LYS 61 N 0.00 -0.06 -0.00 1.72 6.56 -0.99 -3.33 116.57 120.47 1nsh h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1nsh h LYS 61 Cb 0.22 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 31.90 1nsh h LYS 61 CO 0.01 0.37 -0.01 1.63 -2.06 0.00 0.00 179.45 179.39 1nsh n LYS 62 N -4.76 0.66 0.22 3.15 4.01 -0.38 -3.51 118.16 117.54 1nsh n LYS 62 Ca -0.05 -0.03 0.07 0.00 -0.51 0.00 0.00 58.31 57.79 1nsh n LYS 62 Cb 0.22 -1.50 0.48 0.00 -0.51 0.00 0.00 35.03 33.72 1nsh n LYS 62 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1nsh h LEU 63 N 0.06 0.00 -1.71 -0.35 6.46 -0.39 -3.47 115.31 115.91 1nsh h LEU 63 Ca 0.00 0.00 -0.26 0.00 -0.12 0.00 0.00 57.88 57.50 1nsh h LEU 63 Cb 0.19 0.00 0.14 0.00 -0.73 0.00 0.00 40.66 40.26 1nsh h LEU 63 CO 0.00 0.27 -0.61 0.47 -0.62 0.00 0.00 178.44 177.95 1nsh n ASP 64 N -3.76 -2.06 0.00 1.25 9.92 -1.23 -5.00 116.55 115.67 1nsh n ASP 64 Ca -0.01 -0.49 0.00 0.00 -0.53 0.00 0.00 54.79 53.75 1nsh n ASP 64 Cb 0.38 -4.18 0.00 0.00 -0.64 0.00 0.00 41.12 36.67 1nsh n ASP 64 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nsh n LEU 65 N -3.50 2.22 -2.50 0.64 -0.00 -1.26 -4.93 117.00 107.67 1nsh n LEU 65 Ca -0.23 0.13 -0.20 0.00 -0.00 0.00 0.00 56.01 55.71 1nsh n LEU 65 Cb 0.63 -0.00 0.01 0.00 -0.00 0.00 0.00 43.42 44.06 1nsh n LEU 65 CO 0.49 -0.00 -0.15 0.59 -0.00 0.00 0.00 177.39 178.31 1nsh n ASN 66 N -0.51 -5.78 -1.09 1.45 5.03 -1.26 -4.60 115.26 108.51 1nsh n ASN 66 Ca 0.00 -0.12 0.00 0.00 0.87 0.00 0.00 54.58 55.33 1nsh n ASN 66 Cb 0.00 -4.72 0.00 0.00 -1.02 0.00 0.00 39.78 34.04 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 -1.99 -6.16 -1.22 6.41 7.64 -1.26 -5.01 113.62 112.03 1nsh n SER 67 Ca -0.19 0.93 0.15 0.00 1.01 0.00 0.00 58.87 60.78 1nsh n SER 67 Cb 0.65 -3.03 -0.06 0.00 -1.01 0.00 0.00 64.21 60.76 1nsh n SER 67 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1nsh n ASP 68 N -1.15 -7.11 0.00 6.43 2.03 -1.26 -4.88 116.55 110.61 1nsh n ASP 68 Ca 0.00 0.98 0.00 0.00 0.52 0.00 0.00 54.79 56.29 1nsh n ASP 68 Cb 0.05 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.44 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nsh n GLY 69 N -4.02 2.66 1.31 0.27 0.00 -1.26 -4.91 105.19 99.25 1nsh n GLY 69 Ca -0.05 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.38 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 -3.21 0.00 1.61 1.13 -1.26 -4.91 117.38 110.73 1nsh n GLN 70 Ca 0.00 2.58 0.00 0.00 -1.94 0.00 0.00 57.00 57.64 1nsh n GLN 70 Cb 0.00 -3.47 0.00 0.00 0.11 0.00 0.00 30.24 26.88 1nsh n GLN 70 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 1nsh n LEU 71 N -3.44 0.00 0.00 1.08 7.94 -0.80 -4.85 117.00 116.94 1nsh n LEU 71 Ca -0.05 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.85 1nsh n LEU 71 Cb 0.53 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.48 1nsh n LEU 71 CO 0.02 0.00 0.00 -0.90 -1.11 0.00 0.00 177.39 175.40 1nsh n ASP 72 N 0.00 0.00 -0.06 1.96 5.68 -1.26 -4.59 116.55 118.27 1nsh n ASP 72 Ca 0.00 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.25 1nsh n ASP 72 Cb 0.00 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 39.96 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 0.00 0.12 2.11 -0.00 -1.98 -3.39 116.94 113.79 1nsh h PHE 73 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.70 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 0.16 -1.24 0.37 -0.00 0.00 0.00 178.31 177.60 1nsh h GLN 74 N -1.00 0.25 -1.03 6.09 5.75 -1.98 -3.25 115.11 119.94 1nsh h GLN 74 Ca -0.02 -0.42 0.33 0.00 -0.15 0.00 0.00 58.65 58.40 1nsh h GLN 74 Cb 0.30 0.16 -0.15 0.00 1.07 0.00 0.00 27.48 28.86 1nsh h GLN 74 CO -0.01 1.19 0.59 1.49 -2.65 0.00 0.00 178.83 179.45 1nsh h GLU 75 N 0.07 0.29 0.12 1.69 4.81 -1.92 3.38 114.58 123.01 1nsh h GLU 75 Ca -0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1nsh h GLU 75 Cb 1.96 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.28 1nsh h GLU 75 CO 0.19 0.19 -0.06 0.35 -0.73 0.00 0.00 179.01 178.96 1nsh h PHE 76 N 0.29 -0.15 -0.63 0.92 3.04 -1.75 0.69 116.94 119.35 1nsh h PHE 76 Ca 0.74 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.81 1nsh h PHE 76 Cb 1.77 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 40.29 1nsh h PHE 76 CO -0.01 0.33 0.43 -0.07 -2.02 0.00 0.00 178.31 176.97 1nsh h LEU 77 N -0.75 0.34 -0.18 0.59 3.38 -0.30 0.94 115.31 119.33 1nsh h LEU 77 Ca -0.02 0.01 -0.21 0.00 0.09 0.00 0.00 57.88 57.75 1nsh h LEU 77 Cb 0.54 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.24 1nsh h LEU 77 CO 0.03 0.19 -0.72 0.78 0.09 0.00 0.00 178.44 178.82 1nsh h ASN 78 N 0.37 0.94 0.64 -0.43 2.35 0.62 1.80 115.58 121.85 1nsh h ASN 78 Ca 0.30 -0.61 -0.03 0.00 -0.55 0.00 0.00 56.30 55.41 1nsh h ASN 78 Cb 0.67 -0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.78 1nsh h ASN 78 CO -0.08 1.39 -0.31 -0.07 -1.65 0.00 0.00 177.43 176.71 1nsh h LEU 79 N 0.54 -0.72 -0.25 1.61 4.07 0.45 0.23 115.31 121.23 1nsh h LEU 79 Ca -0.04 -0.01 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 1nsh h LEU 79 Cb 1.34 0.19 -0.00 0.00 1.08 0.00 0.00 40.66 43.27 1nsh h LEU 79 CO 0.15 -0.44 -0.33 -0.29 -1.08 0.00 0.00 178.44 176.45 1nsh h ILE 80 N -0.98 1.31 -0.33 1.22 -0.00 0.62 -3.06 117.51 116.29 1nsh h ILE 80 Ca -0.09 -1.52 0.07 0.00 -0.00 0.00 0.00 64.86 63.32 1nsh h ILE 80 Cb 0.69 1.70 -0.07 0.00 -0.00 0.00 0.00 36.82 39.14 1nsh h ILE 80 CO 0.14 0.48 -0.12 1.23 -0.00 0.00 0.00 178.15 179.89 1nsh h GLY 81 N 0.39 0.18 0.18 8.18 0.00 0.28 0.11 103.07 112.38 1nsh h GLY 81 Ca 0.03 0.15 0.17 0.00 0.00 0.00 0.00 47.33 47.68 1nsh h GLY 81 CO 0.08 -0.15 0.54 -1.33 0.00 0.00 0.00 176.54 175.68 1nsh h GLY 82 N -0.05 1.63 1.00 4.60 0.00 -0.53 -0.63 103.07 109.08 1nsh h GLY 82 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1nsh h GLY 82 CO -0.37 -0.04 0.21 1.41 0.00 0.00 0.00 176.54 177.75 1nsh h LEU 83 N 0.72 0.37 -2.03 3.11 3.38 -0.91 -1.65 115.31 118.31 1nsh h LEU 83 Ca 0.53 -0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.60 1nsh h LEU 83 Cb 0.78 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1nsh h LEU 83 CO -0.37 0.28 0.31 0.00 0.09 0.00 0.00 178.44 178.75 1nsh h ALA 84 N 1.11 2.31 0.00 1.53 0.00 -0.25 1.17 119.26 125.13 1nsh h ALA 84 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nsh h ALA 84 Cb -0.04 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nsh h ALA 84 CO -0.02 -0.51 -0.47 0.28 0.00 0.00 0.00 179.25 178.52 1nsh h VAL 85 N 0.00 0.00 -0.07 0.00 2.07 -0.87 0.26 116.25 117.64 1nsh h VAL 85 Ca 0.19 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1nsh h VAL 85 Cb 0.81 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1nsh h VAL 85 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1nsh n ALA 86 N -1.99 2.11 0.00 1.67 0.00 0.45 -2.42 120.51 120.34 1nsh n ALA 86 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1nsh n ALA 86 Cb 0.49 -0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 2.92 -0.08 0.00 5.04 0.91 -4.99 115.29 118.10 1nsh s HIS 88 Ca 0.00 -0.32 -0.29 0.00 -1.54 0.00 0.00 55.06 52.90 1nsh s HIS 88 Cb 0.00 -2.01 -0.07 0.00 0.04 0.00 0.00 32.58 30.54 1nsh s HIS 88 CO 0.00 -0.02 2.08 -1.91 -2.34 0.00 0.00 174.74 172.56 1nsh n GLU 89 N -1.56 2.46 0.00 2.88 2.13 -1.26 -4.32 120.64 120.98 1nsh n GLU 89 Ca 0.01 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.65 1nsh n GLU 89 Cb 0.59 -3.10 0.00 0.00 0.27 0.00 0.00 31.44 29.21 1nsh n GLU 89 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1nsh n SER 90 N 9.32 -0.05 -0.03 4.31 2.88 -1.26 -4.93 113.62 123.87 1nsh n SER 90 Ca 0.25 0.09 -0.03 0.00 -1.33 0.00 0.00 58.87 57.84 1nsh n SER 90 Cb 0.42 0.15 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1nsh n PHE 91 N -1.80 0.00 0.03 0.66 7.35 -1.22 -4.60 117.46 117.87 1nsh n PHE 91 Ca 0.00 0.00 0.22 0.00 -0.76 0.00 0.00 57.45 56.91 1nsh n PHE 91 Cb 0.00 -0.27 0.71 0.00 0.35 0.00 0.00 39.48 40.28 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 0.35 -0.40 -2.13 -1.51 -1.68 0.89 116.25 111.78 1nsh h VAL 92 Ca -0.15 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1nsh h VAL 92 Cb 1.31 0.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.04 1nsh h VAL 92 CO -0.00 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 177.51 1nsh n LYS 93 N -3.73 2.98 -0.61 5.19 4.81 -1.26 -3.83 118.16 121.72 1nsh n LYS 93 Ca 0.10 -1.87 0.03 0.00 -0.87 0.00 0.00 58.31 55.70 1nsh n LYS 93 Cb 0.76 -1.77 0.04 0.00 0.02 0.00 0.00 35.03 34.07 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1nsh n ALA 94 N 0.55 2.20 -3.48 3.14 0.00 0.31 -4.93 120.51 118.30 1nsh n ALA 94 Ca 0.17 -1.65 -0.27 0.00 0.00 0.00 0.00 53.44 51.69 1nsh n ALA 94 Cb 0.69 -0.52 -0.09 0.00 0.00 0.00 0.00 19.45 19.54 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 -0.22 3.58 -0.09 0.00 0.00 -1.20 -4.95 120.51 117.63 1nsh n ALA 95 Ca 0.05 -4.38 -0.08 0.00 0.00 0.00 0.00 53.44 49.03 1nsh n ALA 95 Cb 0.77 -0.90 -0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 4.49 0.33 0.00 0.00 0.11 -1.91 -3.05 132.00 131.96 1nsh h PRO 96 Ca 0.17 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 1nsh h PRO 96 Cb 0.73 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.74 1nsh h PRO 96 CO 0.72 0.22 -0.99 -1.00 -0.21 0.00 0.00 178.00 176.74 1nsh h PRO 97 N 0.34 0.00 -5.30 1.05 0.13 -2.02 -3.43 132.00 122.78 1nsh h PRO 97 Ca 0.12 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.20 1nsh h PRO 97 Cb 0.02 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.14 1nsh h PRO 97 CO -0.07 0.77 0.29 0.94 -0.23 0.00 0.00 178.00 179.70 1nsh n GLN 98 N -3.25 0.49 -3.31 0.86 7.27 -1.15 -4.84 117.38 113.45 1nsh n GLN 98 Ca -0.02 -0.74 -0.14 0.00 0.07 0.00 0.00 57.00 56.18 1nsh n GLN 98 Cb 0.90 -3.36 -0.04 0.00 2.41 0.00 0.00 30.24 30.15 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 8.40 0.73 -0.05 3.69 4.76 -1.26 -4.97 118.16 129.45 1nsh n LYS 99 Ca 0.50 -1.88 -0.05 0.00 -2.87 0.00 0.00 58.31 54.01 1nsh n LYS 99 Cb 0.39 1.04 -0.02 0.00 -1.84 0.00 0.00 35.03 34.61 1nsh n LYS 99 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1nsh n ARG 100 N -0.49 0.29 0.00 1.97 0.63 -1.26 -5.13 116.66 112.66 1nsh n ARG 100 Ca -0.03 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 1nsh n ARG 100 Cb 0.33 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.24 1nsh n ARG 100 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46