#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 3.05 0.00 1.43 0.52 -1.26 -5.04 118.95 117.65 1nsh s ARG 2 Ca 0.00 -0.96 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 1nsh s ARG 2 Cb 0.00 -3.96 0.00 0.00 0.52 0.00 0.00 34.95 31.51 1nsh s ARG 2 CO 0.00 -0.71 0.00 -0.35 0.02 0.00 0.00 175.30 174.26 1nsh n PRO 3 N 5.17 0.00 -3.63 3.54 -0.04 -1.26 -5.07 135.00 133.71 1nsh n PRO 3 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1nsh n PRO 3 Cb 0.47 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.88 1nsh n PRO 3 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1nsh s THR 4 N 0.00 0.00 0.34 0.52 -1.32 -1.26 -4.97 115.64 108.95 1nsh s THR 4 Ca 0.00 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 60.62 1nsh s THR 4 Cb 0.00 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.32 1nsh s THR 4 CO 0.00 0.00 1.67 -0.08 -2.21 0.00 0.00 174.62 174.00 1nsh h GLU 5 N 2.86 0.33 -0.27 7.08 4.81 -2.01 0.89 114.58 128.27 1nsh h GLU 5 Ca -0.20 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 58.86 1nsh h GLU 5 Cb 1.18 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1nsh h GLU 5 CO 0.20 0.22 -0.45 1.15 -0.73 0.00 0.00 179.01 179.41 1nsh h THR 6 N 0.34 1.29 -1.00 0.32 2.02 -1.99 -2.88 112.91 111.01 1nsh h THR 6 Ca 0.73 -1.64 0.17 0.00 0.77 0.00 0.00 66.41 66.44 1nsh h THR 6 Cb 1.63 1.57 -0.10 0.00 -1.74 0.00 0.00 68.15 69.51 1nsh h THR 6 CO -0.60 0.53 0.62 -0.33 0.37 0.00 0.00 175.52 176.10 1nsh h GLU 7 N 0.56 0.79 0.00 6.66 4.39 0.43 0.29 114.58 127.70 1nsh h GLU 7 Ca 0.04 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 1nsh h GLU 7 Cb 1.00 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.45 1nsh h GLU 7 CO 0.09 0.52 -0.59 0.00 -1.16 0.00 0.00 179.01 177.87 1nsh h ARG 8 N 0.82 0.00 0.07 2.33 3.08 -1.37 -3.18 114.38 116.13 1nsh h ARG 8 Ca 0.55 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.59 1nsh h ARG 8 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 1nsh h ARG 8 CO -0.33 0.59 -0.04 0.00 -1.07 0.00 0.00 179.97 179.13 1nsh h ILE 10 N -0.71 0.24 -0.57 0.00 5.03 -0.85 -1.50 117.51 119.15 1nsh h ILE 10 Ca -0.01 0.00 0.17 0.00 -0.12 0.00 0.00 64.86 64.90 1nsh h ILE 10 Cb 0.58 0.24 -0.02 0.00 -3.03 0.00 0.00 36.82 34.58 1nsh h ILE 10 CO 0.02 0.00 0.51 -0.33 -0.68 0.00 0.00 178.15 177.66 1nsh h GLU 11 N -0.55 0.00 0.41 2.37 5.08 -1.67 -2.30 114.58 117.92 1nsh h GLU 11 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1nsh h GLU 11 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1nsh h GLU 11 CO -0.25 0.00 -0.20 0.77 -1.00 0.00 0.00 179.01 178.33 1nsh h SER 12 N 0.00 -0.46 0.69 1.42 0.02 -1.25 -2.89 113.55 111.08 1nsh h SER 12 Ca 0.27 -0.11 -0.09 0.00 -0.84 0.00 0.00 61.79 61.02 1nsh h SER 12 Cb 1.29 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 1nsh h SER 12 CO -0.00 -0.12 -0.43 -0.07 -1.14 0.00 0.00 176.83 175.07 1nsh h LEU 13 N -0.85 0.00 -0.73 5.07 -0.00 -1.40 -2.89 115.31 114.51 1nsh h LEU 13 Ca -0.06 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.72 1nsh h LEU 13 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.19 1nsh h LEU 13 CO 0.09 0.43 -0.18 0.40 -0.00 0.00 0.00 178.44 179.18 1nsh h ILE 14 N 0.00 1.27 -0.02 1.22 2.04 -1.48 -3.12 117.51 117.42 1nsh h ILE 14 Ca -0.00 -1.28 -0.19 0.00 1.00 0.00 0.00 64.86 64.40 1nsh h ILE 14 Cb 0.89 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 1nsh h ILE 14 CO 0.06 0.43 -0.81 0.00 0.00 0.00 0.00 178.15 177.83 1nsh h ALA 15 N 1.11 0.60 -0.96 1.87 0.00 -1.41 -1.03 119.26 119.43 1nsh h ALA 15 Ca 0.10 -0.68 0.17 0.00 0.00 0.00 0.00 54.91 54.51 1nsh h ALA 15 Cb 0.68 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.31 1nsh h ALA 15 CO 0.05 0.87 0.61 -0.39 0.00 0.00 0.00 179.25 180.38 1nsh h VAL 16 N 0.13 0.77 0.10 0.00 -1.51 -1.44 0.47 116.25 114.77 1nsh h VAL 16 Ca -0.04 -0.24 -0.01 0.00 -1.23 0.00 0.00 66.70 65.19 1nsh h VAL 16 Cb 1.41 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.56 1nsh h VAL 16 CO 0.12 0.13 -0.05 0.15 -1.23 0.00 0.00 177.57 176.69 1nsh h PHE 17 N 0.71 -0.13 -1.04 5.19 3.57 -1.56 -3.33 116.94 120.35 1nsh h PHE 17 Ca 0.51 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.28 1nsh h PHE 17 Cb 0.85 0.04 -0.09 0.00 2.79 0.00 0.00 35.95 39.54 1nsh h PHE 17 CO -0.00 0.09 0.68 1.96 -2.23 0.00 0.00 178.31 178.80 1nsh h GLN 18 N -1.01 0.35 -0.19 1.11 1.08 -0.66 0.49 115.11 116.27 1nsh h GLN 18 Ca -0.01 -0.02 0.05 0.00 -1.45 0.00 0.00 58.65 57.22 1nsh h GLN 18 Cb 0.28 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.57 1nsh h GLN 18 CO 0.02 0.23 -0.19 -0.22 -0.95 0.00 0.00 178.83 177.73 1nsh h LYS 19 N 0.36 -0.20 0.06 1.46 1.63 -0.19 1.09 116.57 120.79 1nsh h LYS 19 Ca 0.58 0.01 -0.11 0.00 -0.85 0.00 0.00 60.65 60.28 1nsh h LYS 19 Cb 1.54 0.04 0.01 0.00 -0.60 0.00 0.00 32.23 33.22 1nsh h LYS 19 CO -0.27 -0.13 -0.53 1.88 -3.45 0.00 0.00 179.45 176.95 1nsh h TYR 20 N -0.20 0.25 -0.03 1.91 -1.99 -1.40 -3.29 116.97 112.21 1nsh h TYR 20 Ca 0.12 -0.18 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1nsh h TYR 20 Cb 0.38 -0.01 -0.00 0.00 2.00 0.00 0.00 36.73 39.10 1nsh h TYR 20 CO -0.33 1.20 0.16 0.00 -0.00 0.00 0.00 178.16 179.20 1nsh h ALA 21 N -0.01 1.28 -2.34 3.88 0.00 0.03 -3.43 119.26 118.66 1nsh h ALA 21 Ca -0.11 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 1nsh h ALA 21 Cb 1.34 0.00 0.15 0.00 0.00 0.00 0.00 17.79 19.27 1nsh h ALA 21 CO 0.05 -0.18 0.25 0.20 0.00 0.00 0.00 179.25 179.57 1nsh s GLY 22 N -3.98 1.62 -0.15 0.00 0.00 0.37 -4.51 107.32 100.68 1nsh s GLY 22 Ca -0.04 -0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.50 1nsh s GLY 22 CO 0.38 0.41 0.21 0.28 0.00 0.00 0.00 173.10 174.38 1nsh n LYS 23 N -3.86 -4.49 0.00 2.90 5.02 -1.26 -5.01 118.16 111.46 1nsh n LYS 23 Ca 0.07 3.38 0.00 0.00 -2.02 0.00 0.00 58.31 59.74 1nsh n LYS 23 Cb 0.55 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.73 1nsh n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1nsh n ASP 24 N 1.64 0.00 0.00 4.39 8.00 -1.26 -5.06 116.55 124.26 1nsh n ASP 24 Ca -0.35 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.15 1nsh n ASP 24 Cb 0.55 0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1nsh n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nsh n GLY 25 N -1.43 2.95 0.00 0.44 0.00 -1.26 -4.92 105.19 100.97 1nsh n GLY 25 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1nsh n GLY 25 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1nsh n HIS 26 N 0.00 0.00 -1.69 1.61 1.44 -1.26 -5.14 115.22 110.18 1nsh n HIS 26 Ca 0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 1nsh n HIS 26 Cb 0.00 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.16 1nsh n HIS 26 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1nsh n SER 27 N -0.62 1.84 -2.97 4.39 3.41 -1.26 -4.94 113.62 113.48 1nsh n SER 27 Ca 0.00 0.90 -0.32 0.00 -0.26 0.00 0.00 58.87 59.19 1nsh n SER 27 Cb 0.00 -1.49 -0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1nsh n SER 27 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 1nsh n VAL 28 N -1.37 3.64 -4.36 -3.33 0.24 -1.26 -4.84 118.33 107.05 1nsh n VAL 28 Ca 0.12 -5.29 -0.19 0.00 -2.04 0.00 0.00 64.34 56.95 1nsh n VAL 28 Cb 0.46 -1.37 -0.10 0.00 -1.47 0.00 0.00 33.84 31.36 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 -4.83 0.52 0.00 3.34 -4.23 -1.26 -4.75 115.64 104.43 1nsh s THR 29 Ca 0.47 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1nsh s THR 29 Cb 0.32 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.59 1nsh s THR 29 CO -0.20 0.00 0.00 -0.11 -0.54 0.00 0.00 174.62 173.77 1nsh n LEU 30 N -0.58 0.00 -3.63 4.79 0.00 -1.26 -4.55 117.00 111.76 1nsh n LEU 30 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 56.01 55.88 1nsh n LEU 30 Cb 0.66 0.00 -0.07 0.00 0.00 0.00 0.00 43.42 44.01 1nsh n LEU 30 CO 0.37 0.00 0.43 -0.94 0.00 0.00 0.00 177.39 177.25 1nsh s SER 31 N 0.44 -0.76 0.29 1.96 1.04 -1.26 -3.36 113.70 112.05 1nsh s SER 31 Ca 0.00 1.42 0.04 0.00 0.48 0.00 0.00 55.95 57.89 1nsh s SER 31 Cb 0.00 1.41 0.72 0.00 0.10 0.00 0.00 66.02 68.25 1nsh s SER 31 CO 0.00 -0.24 1.74 0.07 0.98 0.00 0.00 173.24 175.79 1nsh h LYS 32 N 5.31 0.55 -0.12 4.02 5.09 -1.99 0.39 116.57 129.82 1nsh h LYS 32 Ca -0.29 -0.03 -0.09 0.00 0.09 0.00 0.00 60.65 60.32 1nsh h LYS 32 Cb 1.17 -0.12 0.00 0.00 0.10 0.00 0.00 32.23 33.38 1nsh h LYS 32 CO 0.07 0.36 -0.29 1.15 -2.09 0.00 0.00 179.45 178.66 1nsh h THR 33 N 0.57 1.38 -0.22 0.07 2.02 -2.01 -2.99 112.91 111.74 1nsh h THR 33 Ca 0.56 -1.59 0.06 0.00 0.77 0.00 0.00 66.41 66.22 1nsh h THR 33 Cb 0.97 2.10 -0.01 0.00 -1.74 0.00 0.00 68.15 69.46 1nsh h THR 33 CO -0.45 0.47 0.17 -0.33 0.37 0.00 0.00 175.52 175.75 1nsh h GLU 34 N -0.01 0.00 -0.16 6.66 5.08 -1.59 0.28 114.58 124.85 1nsh h GLU 34 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1nsh h GLU 34 Cb 0.89 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 1nsh h GLU 34 CO 0.06 0.00 -0.30 0.35 -1.00 0.00 0.00 179.01 178.12 1nsh h PHE 35 N 0.00 0.35 0.07 4.33 3.04 -0.84 -3.19 116.94 120.69 1nsh h PHE 35 Ca 0.10 -0.08 0.02 0.00 3.98 0.00 0.00 57.97 62.00 1nsh h PHE 35 Cb 0.44 -0.08 -0.05 0.00 2.56 0.00 0.00 35.95 38.81 1nsh h PHE 35 CO 0.00 0.59 -0.50 -0.07 -2.02 0.00 0.00 178.31 176.31 1nsh h LEU 36 N 0.27 -1.52 -0.39 0.59 -0.00 -0.32 -1.20 115.31 112.74 1nsh h LEU 36 Ca 0.04 0.17 0.07 0.00 -0.00 0.00 0.00 57.88 58.15 1nsh h LEU 36 Cb 0.68 0.57 -0.06 0.00 -0.00 0.00 0.00 40.66 41.85 1nsh h LEU 36 CO 0.05 -0.53 0.02 0.28 -0.00 0.00 0.00 178.44 178.27 1nsh h SER 37 N -0.69 -0.11 -0.15 -0.43 0.02 -1.58 0.19 113.55 110.80 1nsh h SER 37 Ca 0.01 0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.09 1nsh h SER 37 Cb 0.73 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.40 1nsh h SER 37 CO -0.31 -0.02 0.14 0.15 -1.14 0.00 0.00 176.83 175.65 1nsh h PHE 38 N 0.13 0.00 0.27 3.45 3.04 -1.45 -0.06 116.94 122.31 1nsh h PHE 38 Ca 0.19 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 1nsh h PHE 38 Cb 0.26 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.77 1nsh h PHE 38 CO -0.25 0.00 -0.13 1.98 -2.02 0.00 0.00 178.31 177.90 1nsh h MET 39 N 0.00 -0.34 0.00 1.11 4.05 0.25 -0.04 114.93 119.95 1nsh h MET 39 Ca 0.07 0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.52 1nsh h MET 39 Cb 0.35 0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.23 1nsh h MET 39 CO -0.00 -0.11 0.00 -2.95 0.23 0.00 0.00 176.91 174.08 1nsh h ASN 40 N -1.04 0.00 0.17 1.39 7.08 -1.10 1.35 115.58 123.43 1nsh h ASN 40 Ca -0.04 0.00 -0.35 0.00 -3.08 0.00 0.00 56.30 52.84 1nsh h ASN 40 Cb 0.39 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.57 1nsh h ASN 40 CO 0.06 0.00 -2.15 1.07 -2.08 0.00 0.00 177.43 174.33 1nsh n THR 41 N -2.98 1.50 -0.95 6.14 5.66 -0.06 -4.14 114.28 119.44 1nsh n THR 41 Ca -0.01 -0.79 0.02 0.00 -3.05 0.00 0.00 64.05 60.22 1nsh n THR 41 Cb 0.19 -0.84 0.03 0.00 -1.55 0.00 0.00 70.33 68.16 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 -2.95 1.18 -2.58 1.09 1.02 -0.03 -4.78 120.64 113.59 1nsh n GLU 42 Ca -0.29 -1.41 -0.03 0.00 -0.02 0.00 0.00 57.16 55.41 1nsh n GLU 42 Cb 1.10 -0.89 0.12 0.00 -0.02 0.00 0.00 31.44 31.74 1nsh n GLU 42 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nsh n LEU 43 N -0.50 -1.40 0.16 -4.62 4.77 0.45 -4.94 117.00 110.92 1nsh n LEU 43 Ca 0.04 -3.05 0.03 0.00 -0.03 0.00 0.00 56.01 53.01 1nsh n LEU 43 Cb 0.51 0.17 0.18 0.00 -2.33 0.00 0.00 43.42 41.94 1nsh n LEU 43 CO 0.00 1.67 0.55 0.00 -1.33 0.00 0.00 177.39 178.29 1nsh h ALA 44 N 1.05 0.82 0.00 -1.18 0.00 -1.38 -2.90 119.26 115.67 1nsh h ALA 44 Ca -0.39 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1nsh h ALA 44 Cb 1.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nsh h ALA 44 CO -0.16 0.61 0.00 0.00 0.00 0.00 0.00 179.25 179.70 1nsh n ALA 45 N -2.28 1.69 0.24 0.00 0.00 -1.26 0.17 120.51 119.06 1nsh n ALA 45 Ca 0.01 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.43 1nsh n ALA 45 Cb 0.63 -1.21 -0.05 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 -1.38 0.00 0.00 0.00 3.01 -1.10 -4.69 117.46 113.29 1nsh n PHE 46 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1nsh n PHE 46 Cb 0.13 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 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 -1.42 0.00 -1.63 4.37 -2.24 -0.92 -4.66 114.28 107.78 1nsh n THR 47 Ca 0.00 -0.10 -0.55 0.00 -2.27 0.00 0.00 64.05 61.14 1nsh n THR 47 Cb 0.16 0.55 -0.07 0.00 -2.10 0.00 0.00 70.33 68.88 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 -1.09 1.03 -1.18 -0.78 5.02 0.44 0.11 118.16 121.71 1nsh n LYS 48 Ca 0.00 0.38 -0.06 0.00 -2.02 0.00 0.00 58.31 56.60 1nsh n LYS 48 Cb 0.00 -2.02 -0.03 0.00 -0.02 0.00 0.00 35.03 32.97 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 3.42 -5.29 -2.67 4.39 3.02 -1.26 -3.05 115.26 113.82 1nsh n ASN 49 Ca 0.22 0.16 -0.07 0.00 -0.03 0.00 0.00 54.58 54.85 1nsh n ASN 49 Cb 0.16 -3.36 -0.01 0.00 -0.61 0.00 0.00 39.78 35.96 1nsh n ASN 49 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nsh n GLN 50 N -0.78 -2.69 -0.26 3.52 3.00 0.30 -4.73 117.38 115.75 1nsh n GLN 50 Ca -0.06 0.19 0.33 0.00 -0.01 0.00 0.00 57.00 57.45 1nsh n GLN 50 Cb 0.46 -4.74 0.73 0.00 0.00 0.00 0.00 30.24 26.70 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 -0.12 0.00 -2.93 -1.09 1.79 -1.72 -3.13 116.57 109.36 1nsh h LYS 51 Ca -0.14 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.72 1nsh h LYS 51 Cb 1.10 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.35 1nsh h LYS 51 CO 0.18 0.00 -0.75 -0.51 -1.08 0.00 0.00 179.45 177.29 1nsh s ASP 52 N -5.17 3.54 0.00 0.86 1.11 -1.26 -4.96 116.67 110.79 1nsh s ASP 52 Ca -0.05 -2.75 0.13 0.00 0.18 0.00 0.00 52.55 50.06 1nsh s ASP 52 Cb 0.22 -1.02 0.76 0.00 1.07 0.00 0.00 42.92 43.95 1nsh s ASP 52 CO 0.76 -0.25 1.25 -2.65 1.18 0.00 0.00 175.17 175.47 1nsh n PRO 53 N 3.37 0.35 0.00 8.23 -0.02 -1.19 -2.27 135.00 143.47 1nsh n PRO 53 Ca 0.11 0.05 0.12 0.00 -2.02 0.00 0.00 63.50 61.76 1nsh n PRO 53 Cb 0.36 -1.50 0.13 0.00 -0.02 0.00 0.00 33.50 32.46 1nsh n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nsh n GLY 54 N -0.17 0.42 0.04 -1.23 0.00 -1.26 -3.58 105.19 99.41 1nsh n GLY 54 Ca 0.09 -0.63 -0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 3.36 0.00 0.00 1.61 2.07 -1.70 -3.18 116.25 118.41 1nsh h VAL 55 Ca 0.00 -0.68 -0.15 0.00 0.82 0.00 0.00 66.70 66.69 1nsh h VAL 55 Cb 0.82 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1nsh h VAL 55 CO 0.00 0.00 -0.73 0.25 0.02 0.00 0.00 177.57 177.11 1nsh h LEU 56 N -0.68 0.00 -0.42 2.57 5.85 -1.80 -3.14 115.31 117.69 1nsh h LEU 56 Ca 0.00 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1nsh h LEU 56 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1nsh h LEU 56 CO 0.00 0.73 -0.66 -0.78 -0.34 0.00 0.00 178.44 177.39 1nsh h ASP 57 N 0.00 0.00 -0.02 1.25 3.58 -1.77 -3.23 116.42 116.23 1nsh h ASP 57 Ca -0.01 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.32 1nsh h ASP 57 Cb 1.32 0.00 0.01 0.00 1.72 0.00 0.00 39.33 42.38 1nsh h ASP 57 CO 0.09 0.66 -0.47 0.03 -2.88 0.00 0.00 179.24 176.68 1nsh h ARG 58 N 0.00 0.35 0.03 0.28 3.08 -1.55 -2.53 114.38 114.05 1nsh h ARG 58 Ca -0.01 -0.35 0.03 0.00 0.07 0.00 0.00 59.98 59.72 1nsh h ARG 58 Cb 1.31 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.42 1nsh h ARG 58 CO 0.09 1.03 -0.26 0.00 -1.07 0.00 0.00 179.97 179.75 1nsh h MET 59 N -0.19 -0.41 0.00 0.04 -0.00 -1.63 -1.32 114.93 111.43 1nsh h MET 59 Ca -0.05 0.03 -0.03 0.00 -0.00 0.00 0.00 59.70 59.64 1nsh h MET 59 Cb 1.17 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.86 1nsh h MET 59 CO 0.09 -0.27 -0.15 0.52 -0.00 0.00 0.00 176.91 177.10 1nsh h MET 60 N -0.42 0.00 0.56 -0.10 2.86 -1.68 -1.98 114.93 114.16 1nsh h MET 60 Ca 0.05 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1nsh h MET 60 Cb 0.49 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.16 1nsh h MET 60 CO -0.21 0.15 -0.27 -0.22 1.06 0.00 0.00 176.91 177.42 1nsh h LYS 61 N 0.00 -0.72 0.00 1.72 1.63 -0.89 -3.08 116.57 115.23 1nsh h LYS 61 Ca -0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1nsh h LYS 61 Cb 0.65 0.16 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1nsh h LYS 61 CO 0.02 -0.48 0.00 1.63 -3.45 0.00 0.00 179.45 177.17 1nsh n LYS 62 N -5.02 0.16 0.00 1.90 4.01 -0.58 -2.38 118.16 116.25 1nsh n LYS 62 Ca -0.09 0.47 0.03 0.00 -0.51 0.00 0.00 58.31 58.20 1nsh n LYS 62 Cb 0.29 -1.85 0.13 0.00 -0.51 0.00 0.00 35.03 33.09 1nsh n LYS 62 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 1nsh n LEU 63 N -2.16 0.00 0.00 -0.35 0.00 -0.75 -4.86 117.00 108.88 1nsh n LEU 63 Ca 0.01 0.44 0.00 0.00 0.00 0.00 0.00 56.01 56.46 1nsh n LEU 63 Cb 0.17 -0.44 0.00 0.00 0.00 0.00 0.00 43.42 43.15 1nsh n LEU 63 CO 0.16 -0.35 0.00 -0.67 0.00 0.00 0.00 177.39 176.53 1nsh n ASP 64 N -1.44 0.00 0.00 1.96 2.03 -1.00 -4.96 116.55 113.14 1nsh n ASP 64 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1nsh n ASP 64 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 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 0.00 0.00 -1.22 -2.67 4.77 -1.26 -5.02 117.00 111.59 1nsh n LEU 65 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nsh n LEU 65 Cb 0.00 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nsh n LEU 65 CO 0.00 -0.30 -0.38 0.59 -1.33 0.00 0.00 177.39 175.96 1nsh n ASN 66 N -1.85 -6.60 -4.55 -1.43 3.02 -1.26 -4.46 115.26 98.13 1nsh n ASN 66 Ca 0.00 1.46 -0.14 0.00 -0.03 0.00 0.00 54.58 55.87 1nsh n ASN 66 Cb 0.00 -3.75 -0.09 0.00 -0.61 0.00 0.00 39.78 35.33 1nsh n ASN 66 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1nsh n SER 67 N -2.40 1.32 0.00 6.41 3.41 -1.26 -4.42 113.62 116.68 1nsh n SER 67 Ca -0.00 -1.38 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1nsh n SER 67 Cb 0.38 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.83 1nsh n SER 67 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1nsh n ASP 68 N 16.85 1.76 0.00 4.04 5.75 -1.26 -5.00 116.55 138.69 1nsh n ASP 68 Ca 0.50 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.28 1nsh n ASP 68 Cb 0.39 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 1nsh n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nsh n GLY 69 N 2.87 0.00 6.22 6.12 0.00 -1.26 -5.15 105.19 113.99 1nsh n GLY 69 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.35 0.00 1.61 1.13 -1.26 -4.79 117.38 113.71 1nsh n GLN 70 Ca 0.00 0.23 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 1nsh n GLN 70 Cb 0.00 -0.43 0.00 0.00 0.11 0.00 0.00 30.24 29.92 1nsh n GLN 70 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1nsh n LEU 71 N 0.00 0.00 0.00 1.08 7.99 -1.21 -4.90 117.00 119.96 1nsh n LEU 71 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 1nsh n LEU 71 Cb 0.08 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.39 1nsh n LEU 71 CO 0.00 0.00 0.00 -0.90 -1.51 0.00 0.00 177.39 174.98 1nsh n ASP 72 N 0.00 0.00 0.15 -1.43 5.68 -1.26 -4.57 116.55 115.12 1nsh n ASP 72 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.23 1nsh n ASP 72 Cb 0.00 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 39.95 1nsh n ASP 72 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1nsh h PHE 73 N 0.00 -0.38 -0.24 2.11 3.04 -1.99 -3.30 116.94 116.19 1nsh h PHE 73 Ca 0.00 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.86 1nsh h PHE 73 Cb 0.00 0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.62 1nsh h PHE 73 CO 0.00 -0.24 -0.20 0.37 -2.02 0.00 0.00 178.31 176.22 1nsh h GLN 74 N -0.72 0.43 -0.82 1.11 5.75 -1.98 -2.94 115.11 115.95 1nsh h GLN 74 Ca -0.04 -0.14 0.20 0.00 -0.15 0.00 0.00 58.65 58.51 1nsh h GLN 74 Cb 0.31 -0.04 -0.14 0.00 1.07 0.00 0.00 27.48 28.68 1nsh h GLN 74 CO 0.07 0.62 0.04 1.49 -2.65 0.00 0.00 178.83 178.39 1nsh h GLU 75 N 0.39 0.10 -0.11 1.69 4.81 -1.94 2.01 114.58 121.53 1nsh h GLU 75 Ca 0.07 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 1nsh h GLU 75 Cb 0.58 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1nsh h GLU 75 CO 0.04 0.07 -0.18 0.35 -0.73 0.00 0.00 179.01 178.55 1nsh h PHE 76 N 0.10 0.40 -1.00 0.92 3.04 -1.59 1.40 116.94 120.21 1nsh h PHE 76 Ca 0.46 -0.14 0.07 0.00 3.98 0.00 0.00 57.97 62.35 1nsh h PHE 76 Cb 0.86 -0.08 -0.07 0.00 2.56 0.00 0.00 35.95 39.22 1nsh h PHE 76 CO -0.42 0.79 0.64 -0.07 -2.02 0.00 0.00 178.31 177.23 1nsh h LEU 77 N -0.10 1.01 0.02 0.59 3.38 -0.56 1.13 115.31 120.77 1nsh h LEU 77 Ca 0.01 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 1nsh h LEU 77 Cb 0.75 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.33 1nsh h LEU 77 CO 0.04 0.63 -1.09 -1.13 0.09 0.00 0.00 178.44 176.98 1nsh h ASN 78 N 1.14 0.87 0.83 -0.43 -1.24 0.32 1.26 115.58 118.32 1nsh h ASN 78 Ca 0.44 -0.72 -0.04 0.00 0.71 0.00 0.00 56.30 56.69 1nsh h ASN 78 Cb 0.22 -0.27 0.01 0.00 0.73 0.00 0.00 38.32 39.01 1nsh h ASN 78 CO -0.19 1.53 -0.40 -0.07 -1.29 0.00 0.00 177.43 177.01 1nsh h LEU 79 N 0.35 -0.94 -0.04 0.34 -0.00 0.32 0.67 115.31 116.01 1nsh h LEU 79 Ca -0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.68 1nsh h LEU 79 Cb 1.75 0.24 0.01 0.00 -0.00 0.00 0.00 40.66 42.66 1nsh h LEU 79 CO 0.21 -0.67 -0.34 -0.29 -0.00 0.00 0.00 178.44 177.36 1nsh h ILE 80 N -1.12 1.45 -0.26 1.22 -0.00 0.12 -3.09 117.51 115.82 1nsh h ILE 80 Ca -0.11 -1.81 0.06 0.00 -0.00 0.00 0.00 64.86 62.99 1nsh h ILE 80 Cb 0.85 2.46 -0.05 0.00 -0.00 0.00 0.00 36.82 40.08 1nsh h ILE 80 CO 0.19 0.52 -0.09 1.23 -0.00 0.00 0.00 178.15 180.00 1nsh h GLY 81 N -0.23 0.16 0.21 8.18 0.00 0.16 0.69 103.07 112.23 1nsh h GLY 81 Ca -0.03 0.11 0.21 0.00 0.00 0.00 0.00 47.33 47.63 1nsh h GLY 81 CO 0.07 -0.12 0.62 -1.33 0.00 0.00 0.00 176.54 175.78 1nsh h GLY 82 N -0.03 0.99 0.99 4.60 0.00 0.30 0.21 103.07 110.13 1nsh h GLY 82 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 1nsh h GLY 82 CO -0.29 -0.03 0.31 1.41 0.00 0.00 0.00 176.54 177.94 1nsh h LEU 83 N 0.43 0.69 -1.58 3.11 3.38 -0.79 -0.59 115.31 119.96 1nsh h LEU 83 Ca 0.50 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.51 1nsh h LEU 83 Cb 1.22 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 1nsh h LEU 83 CO -0.21 0.58 0.47 0.00 0.09 0.00 0.00 178.44 179.37 1nsh h ALA 84 N 1.14 2.04 0.00 1.53 0.00 -0.07 1.49 119.26 125.39 1nsh h ALA 84 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1nsh h ALA 84 Cb 0.04 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nsh h ALA 84 CO -0.03 -0.22 -0.35 0.28 0.00 0.00 0.00 179.25 178.93 1nsh h VAL 85 N 0.44 0.00 -0.13 0.00 2.07 -1.05 -0.39 116.25 117.19 1nsh h VAL 85 Ca 0.33 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 67.15 1nsh h VAL 85 Cb 0.69 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1nsh h VAL 85 CO -0.10 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.49 1nsh n ALA 86 N -1.94 2.26 0.00 1.67 0.00 0.84 -3.20 120.51 120.13 1nsh n ALA 86 Ca 0.04 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.89 1nsh n ALA 86 Cb 0.48 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -1.29 3.20 -1.05 0.00 3.76 -0.16 -4.89 115.29 114.87 1nsh s HIS 88 Ca 0.00 1.62 -0.25 0.00 -0.15 0.00 0.00 55.06 56.29 1nsh s HIS 88 Cb 0.00 -3.07 -0.17 0.00 1.11 0.00 0.00 32.58 30.45 1nsh s HIS 88 CO 0.00 -0.60 1.98 -1.91 -0.85 0.00 0.00 174.74 173.36 1nsh n GLU 89 N -0.40 0.90 0.06 1.40 2.13 -1.26 -3.76 120.64 119.72 1nsh n GLU 89 Ca 0.06 -2.04 0.00 0.00 0.66 0.00 0.00 57.16 55.85 1nsh n GLU 89 Cb 0.51 -3.69 0.00 0.00 0.27 0.00 0.00 31.44 28.53 1nsh n GLU 89 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1nsh n SER 90 N 15.84 -0.52 -0.05 4.31 7.64 -1.26 -4.90 113.62 134.68 1nsh n SER 90 Ca 0.44 0.23 -0.08 0.00 1.01 0.00 0.00 58.87 60.46 1nsh n SER 90 Cb 0.46 0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 64.26 1nsh n SER 90 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1nsh n PHE 91 N -2.85 0.00 0.24 1.43 7.35 -1.25 -4.52 117.46 117.85 1nsh n PHE 91 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1nsh n PHE 91 Cb 0.00 -0.35 0.60 0.00 0.35 0.00 0.00 39.48 40.08 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 -0.18 0.85 -0.63 -2.13 -1.51 -1.70 -1.80 116.25 109.15 1nsh h VAL 92 Ca -0.23 -0.65 -0.20 0.00 -1.23 0.00 0.00 66.70 64.39 1nsh h VAL 92 Cb 1.27 1.38 -0.12 0.00 -2.13 0.00 0.00 31.29 31.69 1nsh h VAL 92 CO -0.09 0.17 0.25 0.29 -1.23 0.00 0.00 177.57 176.96 1nsh n LYS 93 N -3.93 3.19 -0.85 5.19 4.01 -1.26 -4.08 118.16 120.42 1nsh n LYS 93 Ca -0.02 -2.52 -0.05 0.00 -0.51 0.00 0.00 58.31 55.21 1nsh n LYS 93 Cb 0.26 -2.05 -0.05 0.00 -0.51 0.00 0.00 35.03 32.68 1nsh n LYS 93 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1nsh n ALA 94 N -0.12 3.23 -3.16 7.82 0.00 -0.72 -4.88 120.51 122.67 1nsh n ALA 94 Ca 0.35 -0.48 -0.20 0.00 0.00 0.00 0.00 53.44 53.11 1nsh n ALA 94 Cb 1.23 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 2.37 -0.12 0.00 0.00 -0.93 -4.97 120.51 116.87 1nsh n ALA 95 Ca -0.20 -3.57 -0.07 0.00 0.00 0.00 0.00 53.44 49.60 1nsh n ALA 95 Cb 0.64 -0.90 0.01 0.00 0.00 0.00 0.00 19.45 19.20 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 3.08 0.40 0.00 0.00 0.11 -1.89 -2.89 132.00 130.81 1nsh h PRO 96 Ca 0.10 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1nsh h PRO 96 Cb 0.90 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1nsh h PRO 96 CO 0.54 0.27 -0.45 -1.00 -0.21 0.00 0.00 178.00 177.14 1nsh h PRO 97 N 0.41 0.00 -5.74 1.05 0.13 -2.01 -3.45 132.00 122.40 1nsh h PRO 97 Ca 0.16 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.72 1nsh h PRO 97 Cb 0.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.16 1nsh h PRO 97 CO -0.09 0.35 1.55 0.94 -0.23 0.00 0.00 178.00 180.52 1nsh n GLN 98 N -3.16 1.12 -1.57 0.86 7.27 -1.09 -4.93 117.38 115.88 1nsh n GLN 98 Ca 0.02 0.21 -0.17 0.00 0.07 0.00 0.00 57.00 57.12 1nsh n GLN 98 Cb 0.69 -2.84 0.10 0.00 2.41 0.00 0.00 30.24 30.60 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 8.63 -0.33 -3.10 3.69 5.02 -1.26 -5.02 118.16 125.78 1nsh n LYS 99 Ca 0.40 -1.56 -0.39 0.00 -2.02 0.00 0.00 58.31 54.74 1nsh n LYS 99 Cb 0.36 -0.65 -0.05 0.00 -0.02 0.00 0.00 35.03 34.67 1nsh n LYS 99 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1nsh s ARG 100 N -4.51 4.41 0.00 1.97 1.70 -1.26 -5.21 118.95 116.06 1nsh s ARG 100 Ca 0.46 0.80 0.00 0.00 -0.47 0.00 0.00 55.73 56.52 1nsh s ARG 100 Cb -0.02 -3.44 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 1nsh s ARG 100 CO 0.31 0.11 0.00 0.34 -1.08 0.00 0.00 175.30 174.98