#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nhn n ALA 4 N 0.00 0.00 -0.35 5.41 0.00 -1.26 -4.87 120.51 119.44 1nhn n ALA 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1nhn n ALA 4 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1nhn n ALA 4 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nhn n PRO 5 N 0.00 0.80 -2.50 0.00 -0.02 -1.26 -4.71 135.00 127.30 1nhn n PRO 5 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.05 1nhn n PRO 5 Cb 0.00 -0.21 0.00 0.00 -0.02 0.00 0.00 33.50 33.28 1nhn n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1nhn n LYS 6 N 0.62 3.22 0.00 -0.52 5.02 -1.26 -4.95 118.16 120.28 1nhn n LYS 6 Ca 0.00 -3.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 1nhn n LYS 6 Cb 0.00 -3.30 0.00 0.00 -0.02 0.00 0.00 35.03 31.71 1nhn n LYS 6 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1nhn n ARG 7 N 6.96 0.00 -0.76 1.97 1.74 -1.26 -4.84 116.66 120.46 1nhn n ARG 7 Ca 0.46 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.28 1nhn n ARG 7 Cb 0.43 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.89 1nhn n ARG 7 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1nhn n PRO 8 N 0.00 0.00 0.00 5.56 -0.04 -1.26 -5.01 135.00 134.25 1nhn n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1nhn n PRO 8 Cb 0.00 -0.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 1nhn n PRO 8 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1nhn n PRO 9 N 1.43 -0.06 -0.01 0.54 -0.04 -1.26 -5.02 135.00 130.58 1nhn n PRO 9 Ca 0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 1nhn n PRO 9 Cb 0.36 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.83 1nhn n PRO 9 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1nhn n SER 10 N -2.75 1.77 0.00 3.54 3.41 -1.26 -4.97 113.62 113.36 1nhn n SER 10 Ca 0.00 -1.71 0.00 0.00 -0.26 0.00 0.00 58.87 56.90 1nhn n SER 10 Cb 0.00 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nhn n ALA 11 N -0.28 0.00 0.04 7.33 0.00 -1.26 -4.53 120.51 121.80 1nhn n ALA 11 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.39 1nhn n ALA 11 Cb 0.19 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.77 1nhn n ALA 11 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1nhn h PHE 12 N 0.00 0.50 -0.75 0.00 3.57 -1.94 -3.09 116.94 115.23 1nhn h PHE 12 Ca 0.00 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.41 1nhn h PHE 12 Cb 0.00 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 1nhn h PHE 12 CO 0.00 0.81 0.44 0.35 -2.23 0.00 0.00 178.31 177.68 1nhn h PHE 13 N 0.34 0.81 0.59 0.41 3.04 -1.94 0.16 116.94 120.35 1nhn h PHE 13 Ca 0.02 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.98 1nhn h PHE 13 Cb 0.94 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 1nhn h PHE 13 CO 0.03 0.39 -0.47 -0.07 -2.02 0.00 0.00 178.31 176.17 1nhn h LEU 14 N 0.80 -1.25 -0.87 0.59 -0.00 -1.92 -2.30 115.31 110.36 1nhn h LEU 14 Ca 0.34 0.09 0.23 0.00 -0.00 0.00 0.00 57.88 58.53 1nhn h LEU 14 Cb 0.19 0.39 -0.14 0.00 -0.00 0.00 0.00 40.66 41.11 1nhn h LEU 14 CO -0.18 -0.66 0.25 0.15 -0.00 0.00 0.00 178.44 178.00 1nhn h PHE 15 N -1.03 0.39 0.25 1.13 3.57 -1.48 -1.28 116.94 118.49 1nhn h PHE 15 Ca -0.08 0.05 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1nhn h PHE 15 Cb 0.86 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1nhn h PHE 15 CO -0.18 -0.19 -0.47 0.00 -2.23 0.00 0.00 178.31 175.25 1nhn h SER 17 N -0.79 -1.23 -0.97 0.00 0.02 -0.70 0.25 113.55 110.14 1nhn h SER 17 Ca -0.01 0.17 0.25 0.00 -0.84 0.00 0.00 61.79 61.36 1nhn h SER 17 Cb 0.76 0.52 -0.18 0.00 0.14 0.00 0.00 62.40 63.63 1nhn h SER 17 CO -0.19 -0.21 -0.04 -0.62 -1.14 0.00 0.00 176.83 174.63 1nhn n GLU 18 N -4.37 -0.08 -0.06 3.45 -0.58 -1.08 -2.64 120.64 115.28 1nhn n GLU 18 Ca -0.01 1.46 -0.14 0.00 -0.42 0.00 0.00 57.16 58.05 1nhn n GLU 18 Cb 0.19 -2.29 -0.14 0.00 -0.57 0.00 0.00 31.44 28.63 1nhn n GLU 18 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1nhn n TYR 19 N -5.47 0.57 -0.27 -0.32 4.02 -0.88 -4.61 117.16 110.20 1nhn n TYR 19 Ca 0.21 0.16 -0.04 0.00 -0.01 0.00 0.00 57.90 58.22 1nhn n TYR 19 Cb 0.68 -1.09 -0.03 0.00 -0.02 0.00 0.00 39.34 38.89 1nhn n TYR 19 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 1nhn n ARG 20 N -3.12 -0.23 0.00 -0.72 0.63 0.82 0.04 116.66 114.07 1nhn n ARG 20 Ca -0.31 1.01 0.15 0.00 -0.92 0.00 0.00 57.85 57.78 1nhn n ARG 20 Cb 1.07 -1.49 0.82 0.00 0.45 0.00 0.00 32.46 33.30 1nhn n ARG 20 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 1nhn n PRO 21 N -4.89 1.05 -0.10 -0.14 -0.04 -1.26 -0.69 135.00 128.93 1nhn n PRO 21 Ca 0.04 -0.21 -0.24 0.00 -0.04 0.00 0.00 63.50 63.05 1nhn n PRO 21 Cb 0.21 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.06 1nhn n PRO 21 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1nhn n LYS 22 N -0.79 0.61 -0.08 0.54 4.81 0.11 -2.15 118.16 121.21 1nhn n LYS 22 Ca 0.21 0.39 -0.13 0.00 -0.87 0.00 0.00 58.31 57.91 1nhn n LYS 22 Cb 0.19 -1.64 -0.05 0.00 0.02 0.00 0.00 35.03 33.54 1nhn n LYS 22 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1nhn h ILE 23 N -0.75 1.32 -0.47 3.15 3.07 -1.20 -1.94 117.51 120.69 1nhn h ILE 23 Ca -0.49 -1.45 0.05 0.00 1.55 0.00 0.00 64.86 64.52 1nhn h ILE 23 Cb 1.56 1.71 -0.03 0.00 -0.27 0.00 0.00 36.82 39.79 1nhn h ILE 23 CO -0.22 0.45 0.31 0.50 -1.05 0.00 0.00 178.15 178.14 1nhn h LYS 24 N 0.30 0.41 -0.96 0.16 3.64 -1.07 1.06 116.57 120.12 1nhn h LYS 24 Ca 0.03 -0.02 0.13 0.00 -1.27 0.00 0.00 60.65 59.52 1nhn h LYS 24 Cb 0.83 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.48 1nhn h LYS 24 CO 0.06 0.27 0.61 0.78 -2.27 0.00 0.00 179.45 178.91 1nhn h GLY 25 N 0.42 1.48 0.82 5.01 0.00 -0.83 0.79 103.07 110.77 1nhn h GLY 25 Ca 0.20 -0.38 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1nhn h GLY 25 CO -0.05 0.13 -1.24 1.18 0.00 0.00 0.00 176.54 176.55 1nhn n GLU 26 N -4.60 0.62 -2.95 4.80 -0.58 0.47 -4.43 120.64 113.96 1nhn n GLU 26 Ca 0.18 0.09 -0.27 0.00 -0.42 0.00 0.00 57.16 56.74 1nhn n GLU 26 Cb 0.40 -1.77 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1nhn n GLU 26 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nhn n HIS 27 N -2.65 4.01 0.86 -0.32 8.25 0.34 -4.90 115.22 120.81 1nhn n HIS 27 Ca -0.03 -3.96 0.00 0.00 -0.26 0.00 0.00 57.72 53.47 1nhn n HIS 27 Cb 0.61 -0.52 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1nhn n HIS 27 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1nhn n PRO 28 N -0.19 0.86 0.00 -0.41 -0.04 0.06 -2.09 135.00 133.19 1nhn n PRO 28 Ca 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1nhn n PRO 28 Cb 0.39 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 1nhn n PRO 28 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1nhn n GLY 29 N 0.34 0.34 3.98 0.55 0.00 -1.26 -5.10 105.19 104.05 1nhn n GLY 29 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1nhn n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nhn s LEU 30 N -0.24 2.90 0.00 0.99 1.43 -0.89 -5.12 118.68 117.76 1nhn s LEU 30 Ca 0.00 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 1nhn s LEU 30 Cb 0.00 -1.94 -0.00 0.00 0.03 0.00 0.00 46.19 44.28 1nhn s LEU 30 CO 0.00 -2.14 0.00 -1.20 0.23 0.00 0.00 176.35 173.24 1nhn n SER 31 N -3.10 3.37 -1.62 2.29 7.64 -1.26 -4.99 113.62 115.95 1nhn n SER 31 Ca 0.16 -3.21 -0.05 0.00 1.01 0.00 0.00 58.87 56.78 1nhn n SER 31 Cb 0.60 0.36 0.20 0.00 -1.01 0.00 0.00 64.21 64.36 1nhn n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1nhn n ILE 32 N -1.25 2.15 0.00 0.44 3.06 -1.26 -1.77 119.36 120.73 1nhn n ILE 32 Ca -0.21 -1.10 0.00 0.00 -2.50 0.00 0.00 62.75 58.95 1nhn n ILE 32 Cb 0.64 -0.50 0.00 0.00 0.54 0.00 0.00 39.64 40.32 1nhn n ILE 32 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1nhn n GLY 33 N -0.07 0.00 0.13 4.50 0.00 -1.26 -4.37 105.19 104.11 1nhn n GLY 33 Ca 0.29 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.07 1nhn n GLY 33 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nhn n ASP 34 N -1.81 1.95 -0.22 1.61 -0.08 -1.12 -2.62 116.55 114.27 1nhn n ASP 34 Ca 0.00 0.34 0.15 0.00 -1.51 0.00 0.00 54.79 53.77 1nhn n ASP 34 Cb 0.40 -0.80 0.47 0.00 2.34 0.00 0.00 41.12 43.53 1nhn n ASP 34 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1nhn h VAL 35 N -1.00 0.77 -0.35 5.18 2.07 -1.66 0.41 116.25 121.67 1nhn h VAL 35 Ca -0.51 -0.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1nhn h VAL 35 Cb 1.44 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1nhn h VAL 35 CO -0.31 0.09 0.04 0.00 0.02 0.00 0.00 177.57 177.41 1nhn h ALA 36 N 1.62 0.46 -0.25 1.67 0.00 -1.75 0.16 119.26 121.18 1nhn h ALA 36 Ca 0.43 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nhn h ALA 36 Cb 0.90 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1nhn h ALA 36 CO -0.17 0.18 0.15 -0.22 0.00 0.00 0.00 179.25 179.20 1nhn h LYS 37 N 0.41 0.34 0.86 0.00 1.63 -0.04 0.37 116.57 120.14 1nhn h LYS 37 Ca 0.10 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.83 1nhn h LYS 37 Cb 0.38 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.95 1nhn h LYS 37 CO 0.01 0.27 -0.41 -0.22 -3.45 0.00 0.00 179.45 175.65 1nhn h LYS 38 N 0.31 -1.11 -0.59 1.90 3.64 -0.85 -2.39 116.57 117.49 1nhn h LYS 38 Ca 0.09 0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 1nhn h LYS 38 Cb 0.02 0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 32.04 1nhn h LYS 38 CO -0.02 -0.73 0.29 -0.07 -2.27 0.00 0.00 179.45 176.65 1nhn h LEU 39 N -1.19 0.39 -1.01 5.20 3.38 -0.95 -0.20 115.31 120.93 1nhn h LEU 39 Ca -0.12 0.04 0.36 0.00 0.09 0.00 0.00 57.88 58.26 1nhn h LEU 39 Cb 0.89 -0.03 -0.12 0.00 0.09 0.00 0.00 40.66 41.49 1nhn h LEU 39 CO 0.19 0.25 0.63 0.61 0.09 0.00 0.00 178.44 180.22 1nhn n GLY 40 N -1.27 -0.64 0.15 0.83 0.00 0.13 -1.12 105.19 103.26 1nhn n GLY 40 Ca 0.07 0.60 -0.26 0.00 0.00 0.00 0.00 46.02 46.43 1nhn n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1nhn n GLU 41 N -4.38 0.57 -0.50 1.61 1.02 -0.48 -4.52 120.64 113.96 1nhn n GLU 41 Ca 0.31 0.25 0.41 0.00 -0.02 0.00 0.00 57.16 58.11 1nhn n GLU 41 Cb 1.18 -1.46 0.70 0.00 -0.02 0.00 0.00 31.44 31.83 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 1nhn h MET 42 N -0.98 0.03 -0.63 3.49 2.86 0.50 0.11 114.93 120.31 1nhn h MET 42 Ca -0.58 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.03 1nhn h MET 42 Cb 1.50 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 33.13 1nhn h MET 42 CO -0.35 0.02 0.29 2.35 1.06 0.00 0.00 176.91 180.28 1nhn h TRP 43 N 0.03 0.90 0.01 -0.22 2.91 -1.56 -1.98 115.95 116.04 1nhn h TRP 43 Ca 0.87 -0.04 -0.20 0.00 1.13 0.00 0.00 58.89 60.65 1nhn h TRP 43 Cb 2.91 -0.28 -0.02 0.00 -0.51 0.00 0.00 29.16 31.26 1nhn h TRP 43 CO -0.00 0.67 -0.92 -2.95 -1.03 0.00 0.00 178.44 174.20 1nhn h ASN 44 N 0.90 0.08 0.00 2.65 7.08 -1.03 -3.03 115.58 122.21 1nhn h ASN 44 Ca 0.22 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.37 1nhn h ASN 44 Cb 0.12 -0.02 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1nhn h ASN 44 CO -0.03 0.95 0.00 0.59 -2.08 0.00 0.00 177.43 176.87 1nhn n ASN 45 N -3.51 0.87 -1.47 6.14 3.02 -0.77 -4.77 115.26 114.77 1nhn n ASN 45 Ca -0.01 -1.85 0.00 0.00 -0.03 0.00 0.00 54.58 52.69 1nhn n ASN 45 Cb 0.86 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 1nhn n ASN 45 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1nhn n THR 46 N 0.00 0.00 -1.12 3.41 5.66 -1.07 -4.98 114.28 116.19 1nhn n THR 46 Ca 0.00 0.00 0.02 0.00 -3.05 0.00 0.00 64.05 61.02 1nhn n THR 46 Cb 0.22 0.00 0.26 0.00 -1.55 0.00 0.00 70.33 69.26 1nhn n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nhn n ALA 47 N -3.00 3.71 -1.06 1.79 0.00 -1.26 -4.94 120.51 115.75 1nhn n ALA 47 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.93 1nhn n ALA 47 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.59 1nhn n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nhn n ALA 48 N -0.56 -0.26 0.00 0.00 0.00 -1.26 -3.93 120.51 114.50 1nhn n ALA 48 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1nhn n ALA 48 Cb 1.06 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1nhn n ALA 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nhn n ASP 49 N -0.07 1.38 -1.68 0.00 8.00 -1.26 -4.73 116.55 118.19 1nhn n ASP 49 Ca 0.00 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.51 1nhn n ASP 49 Cb 0.13 0.23 0.32 0.00 -0.02 0.00 0.00 41.12 41.77 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1nhn n ASP 50 N -0.59 4.71 -0.07 -2.24 8.00 -1.25 -3.87 116.55 121.24 1nhn n ASP 50 Ca 0.00 -3.15 -0.18 0.00 0.71 0.00 0.00 54.79 52.17 1nhn n ASP 50 Cb 0.05 -0.68 -0.13 0.00 -0.02 0.00 0.00 41.12 40.33 1nhn n ASP 50 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1nhn n LYS 51 N -0.11 0.69 -0.33 -1.24 4.76 -1.26 -4.39 118.16 116.28 1nhn n LYS 51 Ca 0.33 0.19 0.26 0.00 -2.87 0.00 0.00 58.31 56.22 1nhn n LYS 51 Cb 1.22 -1.61 0.50 0.00 -1.84 0.00 0.00 35.03 33.29 1nhn n LYS 51 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1nhn h GLN 52 N 0.03 0.05 0.39 1.97 7.50 -1.91 0.19 115.11 123.33 1nhn h GLN 52 Ca -0.50 -0.00 -0.02 0.00 0.50 0.00 0.00 58.65 58.63 1nhn h GLN 52 Cb 1.99 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 29.51 1nhn h GLN 52 CO 0.00 0.04 -0.19 -1.35 -1.50 0.00 0.00 178.83 175.83 1nhn h PRO 53 N 0.05 -0.51 -0.66 1.46 0.11 -1.84 -0.55 132.00 130.07 1nhn h PRO 53 Ca 0.77 0.03 0.10 0.00 0.11 0.00 0.00 66.00 67.02 1nhn h PRO 53 Cb 1.91 0.12 -0.08 0.00 0.11 0.00 0.00 31.00 33.06 1nhn h PRO 53 CO -0.78 -0.24 0.27 1.88 -0.21 0.00 0.00 178.00 178.92 1nhn h TYR 54 N -0.71 0.46 0.47 0.65 0.05 -1.45 -1.52 116.97 114.93 1nhn h TYR 54 Ca -0.05 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1nhn h TYR 54 Cb 0.50 -0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.12 1nhn h TYR 54 CO -0.01 0.12 -0.43 0.93 -1.05 0.00 0.00 178.16 177.72 1nhn h GLU 55 N 0.45 -0.85 -1.35 4.88 4.39 -0.71 0.73 114.58 122.11 1nhn h GLU 55 Ca 0.34 0.06 0.40 0.00 0.34 0.00 0.00 59.36 60.50 1nhn h GLU 55 Cb 0.43 0.19 -0.09 0.00 -0.10 0.00 0.00 28.75 29.19 1nhn h GLU 55 CO -0.32 -0.57 0.93 0.87 -1.16 0.00 0.00 179.01 178.76 1nhn h LYS 56 N -0.89 0.10 0.24 2.33 1.57 -0.32 0.24 116.57 119.84 1nhn h LYS 56 Ca -0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1nhn h LYS 56 Cb 0.76 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.05 1nhn h LYS 56 CO -0.03 0.07 -0.12 -0.22 -0.57 0.00 0.00 179.45 178.58 1nhn h LYS 57 N 0.10 -0.32 -0.95 3.15 1.63 -0.31 -1.81 116.57 118.06 1nhn h LYS 57 Ca 0.72 0.02 0.30 0.00 -0.85 0.00 0.00 60.65 60.84 1nhn h LYS 57 Cb 2.51 0.07 -0.16 0.00 -0.60 0.00 0.00 32.23 34.05 1nhn h LYS 57 CO -0.19 -0.09 0.30 0.00 -3.45 0.00 0.00 179.45 176.03 1nhn h ALA 58 N -0.86 1.54 0.56 5.00 0.00 0.15 0.23 119.26 125.88 1nhn h ALA 58 Ca -0.03 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1nhn h ALA 58 Cb 0.38 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1nhn h ALA 58 CO 0.06 -0.61 -0.27 0.00 0.00 0.00 0.00 179.25 178.42 1nhn h ALA 59 N 1.89 -0.76 -0.91 0.00 0.00 -0.67 0.28 119.26 119.09 1nhn h ALA 59 Ca 0.66 -0.19 0.25 0.00 0.00 0.00 0.00 54.91 55.62 1nhn h ALA 59 Cb 1.47 0.29 -0.14 0.00 0.00 0.00 0.00 17.79 19.41 1nhn h ALA 59 CO -0.74 -0.85 0.36 -0.22 0.00 0.00 0.00 179.25 177.81 1nhn h LYS 60 N -0.91 0.29 -0.08 0.00 3.64 0.32 0.71 116.57 120.53 1nhn h LYS 60 Ca -0.08 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.15 1nhn h LYS 60 Cb 0.63 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1nhn h LYS 60 CO 0.13 0.19 -0.48 -0.07 -2.27 0.00 0.00 179.45 176.95 1nhn h LEU 61 N 0.30 0.55 -0.61 5.20 3.38 -1.04 -2.78 115.31 120.31 1nhn h LEU 61 Ca 0.59 -0.67 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1nhn h LEU 61 Cb 1.22 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1nhn h LEU 61 CO -0.60 1.13 0.40 0.07 0.09 0.00 0.00 178.44 179.53 1nhn h LYS 62 N 0.02 0.80 0.03 1.13 2.10 0.83 -2.20 116.57 119.28 1nhn h LYS 62 Ca -0.04 -0.05 0.02 0.00 -2.00 0.00 0.00 60.65 58.58 1nhn h LYS 62 Cb 1.14 -0.18 -0.05 0.00 -0.90 0.00 0.00 32.23 32.24 1nhn h LYS 62 CO 0.10 0.53 -0.50 1.49 -2.00 0.00 0.00 179.45 179.06 1nhn h GLU 63 N 0.83 -0.63 -0.90 0.07 4.22 -0.96 0.26 114.58 117.46 1nhn h GLU 63 Ca 0.22 0.04 0.21 0.00 0.08 0.00 0.00 59.36 59.91 1nhn h GLU 63 Cb -0.10 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 29.13 1nhn h GLU 63 CO -0.05 -0.42 -0.11 -0.22 -2.18 0.00 0.00 179.01 176.03 1nhn h LYS 64 N -0.66 0.02 0.17 1.92 3.11 -1.14 -2.57 116.57 117.42 1nhn h LYS 64 Ca 0.01 -0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.84 1nhn h LYS 64 Cb 0.69 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 1nhn h LYS 64 CO -0.32 0.02 -0.08 -0.92 -2.81 0.00 0.00 179.45 175.34 1nhn h TYR 65 N 0.02 -0.21 -1.40 1.91 5.03 -0.60 -3.12 116.97 118.61 1nhn h TYR 65 Ca 0.48 -0.00 0.41 0.00 2.58 0.00 0.00 58.73 62.19 1nhn h TYR 65 Cb 0.84 0.07 -0.06 0.00 1.55 0.00 0.00 36.73 39.13 1nhn h TYR 65 CO -0.59 -0.13 1.23 0.39 -1.32 0.00 0.00 178.16 177.74 1nhn n GLU 66 N -2.79 0.01 -0.07 1.82 1.02 0.77 0.13 120.64 121.51 1nhn n GLU 66 Ca -0.03 0.97 -0.16 0.00 -0.02 0.00 0.00 57.16 57.92 1nhn n GLU 66 Cb 0.09 -2.32 -0.14 0.00 -0.02 0.00 0.00 31.44 29.05 1nhn n GLU 66 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1nhn n LYS 67 N -3.43 0.68 0.23 3.49 0.00 -1.09 -2.44 118.16 115.60 1nhn n LYS 67 Ca 0.31 0.17 0.11 0.00 -0.00 0.00 0.00 58.31 58.90 1nhn n LYS 67 Cb 1.64 -1.61 0.49 0.00 -0.00 0.00 0.00 35.03 35.56 1nhn n LYS 67 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1nhn h ASP 68 N 0.02 0.00 -0.19 -5.58 3.58 -0.76 -1.54 116.42 111.95 1nhn h ASP 68 Ca -0.49 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 56.83 1nhn h ASP 68 Cb 2.03 0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.08 1nhn h ASP 68 CO 0.01 0.18 -0.38 -0.29 -2.88 0.00 0.00 179.24 175.88 1nhn h ILE 69 N 0.00 1.33 -0.60 2.25 -0.00 -0.42 -2.14 117.51 117.93 1nhn h ILE 69 Ca -0.00 -1.61 0.07 0.00 -0.00 0.00 0.00 64.86 63.32 1nhn h ILE 69 Cb 0.71 1.87 -0.04 0.00 -0.00 0.00 0.00 36.82 39.37 1nhn h ILE 69 CO 0.02 0.50 0.40 0.00 -0.00 0.00 0.00 178.15 179.07 1nhn h ALA 70 N 0.60 1.85 0.00 0.18 0.00 -1.00 0.24 119.26 121.13 1nhn h ALA 70 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nhn h ALA 70 Cb 0.98 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1nhn h ALA 70 CO 0.08 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1nhn h ALA 71 N 1.68 1.00 0.00 0.00 0.00 -0.78 -3.07 119.26 118.10 1nhn h ALA 71 Ca 0.26 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 1nhn h ALA 71 Cb 0.33 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1nhn h ALA 71 CO -0.08 0.00 -1.34 0.98 0.00 0.00 0.00 179.25 178.82 1nhn n TYR 72 N -2.91 0.98 -0.31 0.00 9.36 0.52 -4.20 117.16 120.59 1nhn n TYR 72 Ca 0.02 0.42 0.11 0.00 3.32 0.00 0.00 57.90 61.77 1nhn n TYR 72 Cb 0.37 -1.10 0.23 0.00 -0.63 0.00 0.00 39.34 38.22 1nhn n TYR 72 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 1nhn h ARG 73 N -0.97 0.05 -0.68 2.98 2.43 -0.71 -0.87 114.38 116.61 1nhn h ARG 73 Ca -0.37 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.03 1nhn h ARG 73 Cb 1.34 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.82 1nhn h ARG 73 CO -0.21 0.03 0.45 0.00 -1.51 0.00 0.00 179.97 178.73 1nhn n ALA 74 N -3.09 0.67 -1.60 2.80 0.00 -1.16 -4.44 120.51 113.69 1nhn n ALA 74 Ca 0.19 0.38 -0.18 0.00 0.00 0.00 0.00 53.44 53.83 1nhn n ALA 74 Cb 0.64 -0.49 0.19 0.00 0.00 0.00 0.00 19.45 19.79 1nhn n ALA 74 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1nhn n LYS 75 N -3.47 -1.63 0.00 0.00 5.02 -0.33 -4.33 118.16 113.43 1nhn n LYS 75 Ca 0.19 -1.74 0.00 0.00 -2.02 0.00 0.00 58.31 54.74 1nhn n LYS 75 Cb 0.76 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.49 1nhn n LYS 75 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1nhn n GLY 76 N -3.00 2.98 3.92 0.72 0.00 -1.26 -4.98 105.19 103.57 1nhn n GLY 76 Ca 0.14 -0.81 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 1nhn n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nhn s LYS 77 N 0.00 3.55 -0.67 1.61 1.02 -1.26 -5.01 119.74 118.97 1nhn s LYS 77 Ca 0.00 -0.03 -0.26 0.00 0.02 0.00 0.00 55.97 55.70 1nhn s LYS 77 Cb 0.00 -2.54 -0.02 0.00 -0.52 0.00 0.00 37.83 34.75 1nhn s LYS 77 CO 0.00 0.02 1.80 -1.25 -0.92 0.00 0.00 175.35 175.00 1nhn s PRO 78 N -4.31 2.69 -0.40 -1.68 0.04 -1.26 -4.78 135.00 125.31 1nhn s PRO 78 Ca 0.44 0.36 0.05 0.00 0.04 0.00 0.00 61.00 61.89 1nhn s PRO 78 Cb -0.10 -4.48 0.51 0.00 0.04 0.00 0.00 34.50 30.46 1nhn s PRO 78 CO 0.38 -2.75 1.60 -3.47 0.04 0.00 0.00 177.00 172.79 1nhn n ASP 79 N 12.49 4.35 -2.70 6.66 -0.08 -1.26 -4.39 116.55 131.62 1nhn n ASP 79 Ca 0.22 -3.76 -0.06 0.00 -1.51 0.00 0.00 54.79 49.67 1nhn n ASP 79 Cb 0.51 -0.68 0.10 0.00 2.34 0.00 0.00 41.12 43.39 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1nhn n ALA 80 N -0.99 -1.99 0.00 -1.67 0.00 -1.26 -5.13 120.51 109.47 1nhn n ALA 80 Ca 0.46 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.96 1nhn n ALA 80 Cb 1.02 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50