#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 0.95 -1.74 -2.53 0.00 -1.26 -4.99 120.51 110.94 1nhn n ALA 4 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.21 1nhn n ALA 4 Cb 0.00 0.02 0.06 0.00 0.00 0.00 0.00 19.45 19.52 1nhn n ALA 4 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nhn s PRO 5 N -2.64 2.69 -0.07 0.00 0.04 -1.26 -4.84 135.00 128.93 1nhn s PRO 5 Ca -0.31 2.00 0.21 0.00 0.04 0.00 0.00 61.00 62.94 1nhn s PRO 5 Cb 0.08 -1.88 0.39 0.00 0.04 0.00 0.00 34.50 33.13 1nhn s PRO 5 CO 0.45 -1.47 1.15 0.36 0.04 0.00 0.00 177.00 177.53 1nhn n LYS 6 N -1.78 0.42 -0.13 4.56 2.85 -1.26 -5.08 118.16 117.73 1nhn n LYS 6 Ca 0.15 -2.15 0.00 0.00 -1.05 0.00 0.00 58.31 55.26 1nhn n LYS 6 Cb 0.48 -0.25 0.00 0.00 -0.65 0.00 0.00 35.03 34.61 1nhn n LYS 6 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 1nhn n ARG 7 N 0.12 0.00 -2.44 -1.58 1.85 -1.26 -4.88 116.66 108.47 1nhn n ARG 7 Ca 0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 57.85 56.61 1nhn n ARG 7 Cb 1.01 0.00 0.10 0.00 -1.05 0.00 0.00 32.46 32.52 1nhn n ARG 7 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1nhn s PRO 8 N -0.10 1.79 0.58 2.89 0.04 -1.26 -5.04 135.00 133.90 1nhn s PRO 8 Ca 0.00 -0.80 -0.12 0.00 0.04 0.00 0.00 61.00 60.12 1nhn s PRO 8 Cb 0.00 -2.26 -0.10 0.00 0.04 0.00 0.00 34.50 32.18 1nhn s PRO 8 CO 0.00 -1.41 -0.41 -2.30 0.04 0.00 0.00 177.00 172.92 1nhn n PRO 9 N -2.89 0.00 -0.62 0.56 -0.02 -1.26 -4.80 135.00 125.97 1nhn n PRO 9 Ca 0.12 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.66 1nhn n PRO 9 Cb 0.60 -0.67 0.09 0.00 -0.02 0.00 0.00 33.50 33.50 1nhn n PRO 9 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nhn n SER 10 N 2.16 1.28 0.00 2.55 2.88 -1.26 -4.64 113.62 116.59 1nhn n SER 10 Ca 0.01 -2.75 0.00 0.00 -1.33 0.00 0.00 58.87 54.80 1nhn n SER 10 Cb 0.36 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1nhn n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nhn n ALA 11 N -0.55 0.00 0.12 -1.46 0.00 -1.26 -4.46 120.51 112.90 1nhn n ALA 11 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1nhn n ALA 11 Cb 0.78 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 -0.49 0.00 3.57 -1.94 -3.21 116.94 114.87 1nhn h PHE 12 Ca 0.00 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1nhn h PHE 12 Cb 0.00 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1nhn h PHE 12 CO 0.00 0.66 -0.15 0.35 -2.23 0.00 0.00 178.31 176.94 1nhn h PHE 13 N 0.00 1.09 0.44 0.41 3.04 -1.92 0.12 116.94 120.12 1nhn h PHE 13 Ca -0.01 -0.25 -0.01 0.00 3.98 0.00 0.00 57.97 61.69 1nhn h PHE 13 Cb 1.32 -0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.55 1nhn h PHE 13 CO 0.00 1.05 -0.46 -0.07 -2.02 0.00 0.00 178.31 176.81 1nhn h LEU 14 N 0.82 -1.27 -0.84 0.59 -0.00 -1.93 -1.89 115.31 110.79 1nhn h LEU 14 Ca 0.12 0.10 0.19 0.00 -0.00 0.00 0.00 57.88 58.30 1nhn h LEU 14 Cb 0.72 0.42 -0.12 0.00 -0.00 0.00 0.00 40.66 41.68 1nhn h LEU 14 CO 0.05 -0.60 0.32 0.15 -0.00 0.00 0.00 178.44 178.36 1nhn h PHE 15 N -0.90 0.53 0.21 1.13 3.57 -1.56 -2.04 116.94 117.87 1nhn h PHE 15 Ca -0.05 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1nhn h PHE 15 Cb 0.79 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 1nhn h PHE 15 CO -0.25 -0.05 -0.36 0.00 -2.23 0.00 0.00 178.31 175.42 1nhn h SER 17 N -0.65 -1.70 -0.95 0.00 0.02 -0.65 0.14 113.55 109.76 1nhn h SER 17 Ca 0.01 0.20 0.26 0.00 -0.84 0.00 0.00 61.79 61.43 1nhn h SER 17 Cb 0.64 0.66 -0.14 0.00 0.14 0.00 0.00 62.40 63.71 1nhn h SER 17 CO -0.16 -0.48 0.44 -0.33 -1.14 0.00 0.00 176.83 175.17 1nhn h GLU 18 N -0.57 0.34 0.03 3.45 5.08 -1.36 -2.94 114.58 118.59 1nhn h GLU 18 Ca 0.03 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.03 1nhn h GLU 18 Cb 0.67 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.79 1nhn h GLU 18 CO -0.43 0.22 -2.07 0.66 -1.00 0.00 0.00 179.01 176.39 1nhn n TYR 19 N -5.08 0.63 -0.18 4.33 4.02 -0.99 -4.59 117.16 115.30 1nhn n TYR 19 Ca 0.26 0.19 -0.05 0.00 -0.01 0.00 0.00 57.90 58.29 1nhn n TYR 19 Cb 0.79 -1.10 -0.04 0.00 -0.02 0.00 0.00 39.34 38.97 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 -3.09 -0.19 0.03 -0.72 0.63 0.44 -0.12 116.66 113.64 1nhn n ARG 20 Ca -0.29 0.80 0.09 0.00 -0.92 0.00 0.00 57.85 57.53 1nhn n ARG 20 Cb 1.07 -1.18 0.37 0.00 0.45 0.00 0.00 32.46 33.17 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 -4.18 0.05 -0.09 -0.14 -0.04 -1.26 -0.46 135.00 128.88 1nhn n PRO 21 Ca 0.01 0.28 -0.19 0.00 -0.04 0.00 0.00 63.50 63.56 1nhn n PRO 21 Cb 0.11 -1.59 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 1nhn n PRO 21 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1nhn h LYS 22 N 0.00 0.00 -0.33 0.54 3.64 -0.78 -2.66 116.57 116.98 1nhn h LYS 22 Ca 0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 1nhn h LYS 22 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 1nhn h LYS 22 CO 0.00 0.97 -0.36 -0.84 -2.27 0.00 0.00 179.45 176.94 1nhn h ILE 23 N -1.00 1.28 -0.88 2.00 3.07 -1.25 -2.18 117.51 118.56 1nhn h ILE 23 Ca -0.25 -1.53 0.09 0.00 1.55 0.00 0.00 64.86 64.72 1nhn h ILE 23 Cb 1.20 1.41 -0.06 0.00 -0.27 0.00 0.00 36.82 39.10 1nhn h ILE 23 CO -0.15 0.50 0.57 0.50 -1.05 0.00 0.00 178.15 178.52 1nhn h LYS 24 N 0.64 0.86 -0.60 0.16 1.63 -0.90 1.19 116.57 119.55 1nhn h LYS 24 Ca 0.06 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 1nhn h LYS 24 Cb 0.91 -0.19 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 1nhn h LYS 24 CO 0.08 0.57 0.40 0.78 -3.45 0.00 0.00 179.45 177.83 1nhn h GLY 25 N 0.88 0.80 0.58 5.01 0.00 -1.01 -1.19 103.07 108.13 1nhn h GLY 25 Ca 0.40 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nhn h GLY 25 CO -0.16 0.24 -1.40 1.18 0.00 0.00 0.00 176.54 176.40 1nhn n GLU 26 N -4.46 0.61 -2.96 4.80 -0.58 0.23 -4.52 120.64 113.76 1nhn n GLU 26 Ca 0.07 -0.01 -0.26 0.00 -0.42 0.00 0.00 57.16 56.54 1nhn n GLU 26 Cb 0.14 -1.70 -0.04 0.00 -0.57 0.00 0.00 31.44 29.27 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 -2.48 3.82 -0.75 -0.32 8.25 0.39 -4.84 115.22 119.29 1nhn n HIS 27 Ca -0.02 -3.99 -0.09 0.00 -0.26 0.00 0.00 57.72 53.37 1nhn n HIS 27 Cb 0.55 -0.49 -0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 -0.21 1.47 0.00 -0.41 -0.04 -0.55 -3.39 135.00 131.87 1nhn n PRO 28 Ca 0.31 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.94 1nhn n PRO 28 Cb 0.41 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 1.08 0.00 0.00 0.55 0.00 -1.26 -5.10 105.19 100.46 1nhn n GLY 29 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1nhn n GLY 29 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1nhn n LEU 30 N -1.27 0.00 0.00 0.99 -0.00 -1.22 -5.15 117.00 110.35 1nhn n LEU 30 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.75 1nhn n LEU 30 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.60 1nhn n LEU 30 CO 0.00 -0.29 -0.10 -1.20 -0.00 0.00 0.00 177.39 175.80 1nhn n SER 31 N -2.10 2.96 -1.09 1.45 7.64 -1.26 -4.99 113.62 116.22 1nhn n SER 31 Ca 0.00 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.04 1nhn n SER 31 Cb 0.00 0.17 0.13 0.00 -1.01 0.00 0.00 64.21 63.50 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 -1.33 1.16 -0.00 0.44 3.06 -1.26 -1.73 119.36 119.70 1nhn n ILE 32 Ca -0.12 -0.54 -0.00 0.00 -2.50 0.00 0.00 62.75 59.59 1nhn n ILE 32 Cb 0.56 -0.50 -0.00 0.00 0.54 0.00 0.00 39.64 40.23 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 0.16 -0.01 0.14 4.50 0.00 -1.26 -4.33 105.19 104.38 1nhn n GLY 33 Ca 0.12 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.94 1.97 0.19 1.61 2.03 -1.00 -2.90 116.55 116.52 1nhn n ASP 34 Ca -0.00 0.16 0.05 0.00 0.52 0.00 0.00 54.79 55.52 1nhn n ASP 34 Cb 0.44 -0.67 0.51 0.00 -0.72 0.00 0.00 41.12 40.67 1nhn n ASP 34 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1nhn h VAL 35 N -0.61 1.11 -0.19 5.18 3.04 -1.64 0.81 116.25 123.95 1nhn h VAL 35 Ca -0.65 -0.48 -0.05 0.00 -1.01 0.00 0.00 66.70 64.52 1nhn h VAL 35 Cb 1.72 1.17 -0.01 0.00 -2.01 0.00 0.00 31.29 32.17 1nhn h VAL 35 CO -0.29 0.14 -0.06 0.00 -1.01 0.00 0.00 177.57 176.35 1nhn h ALA 36 N 1.82 0.27 -0.68 3.17 0.00 -1.75 -0.95 119.26 121.14 1nhn h ALA 36 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nhn h ALA 36 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nhn h ALA 36 CO 0.01 0.06 0.35 0.87 0.00 0.00 0.00 179.25 180.55 1nhn h LYS 37 N 0.09 0.95 0.36 0.00 1.79 -0.79 0.22 116.57 119.19 1nhn h LYS 37 Ca 0.05 -0.11 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1nhn h LYS 37 Cb 0.52 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1nhn h LYS 37 CO 0.02 0.71 -0.17 0.87 -1.08 0.00 0.00 179.45 179.80 1nhn h LYS 38 N 0.95 -0.47 -0.36 3.15 1.57 -0.68 -1.18 116.57 119.54 1nhn h LYS 38 Ca 0.24 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 59.12 1nhn h LYS 38 Cb 0.05 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.41 1nhn h LYS 38 CO -0.04 -0.31 0.01 -0.07 -0.57 0.00 0.00 179.45 178.47 1nhn h LEU 39 N -0.49 -0.13 -1.97 2.94 3.38 -0.76 0.81 115.31 119.08 1nhn h LEU 39 Ca -0.05 0.08 0.53 0.00 0.09 0.00 0.00 57.88 58.54 1nhn h LEU 39 Cb 0.37 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1nhn h LEU 39 CO 0.08 -0.03 1.31 1.23 0.09 0.00 0.00 178.44 181.12 1nhn h GLY 40 N 0.11 0.07 0.00 0.83 0.00 0.25 -0.42 103.07 103.91 1nhn h GLY 40 Ca 0.18 -0.01 -0.16 0.00 0.00 0.00 0.00 47.33 47.34 1nhn h GLY 40 CO -0.29 -0.02 -1.38 1.18 0.00 0.00 0.00 176.54 176.03 1nhn n GLU 41 N -4.01 0.54 -0.29 4.80 -0.58 0.01 -4.50 120.64 116.61 1nhn n GLU 41 Ca 0.41 0.33 0.26 0.00 -0.42 0.00 0.00 57.16 57.74 1nhn n GLU 41 Cb 1.88 -1.54 0.59 0.00 -0.57 0.00 0.00 31.44 31.80 1nhn n GLU 41 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1nhn h MET 42 N -1.00 0.25 -0.75 3.49 2.86 0.20 -1.85 114.93 118.14 1nhn h MET 42 Ca -0.24 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.40 1nhn h MET 42 Cb 1.12 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.68 1nhn h MET 42 CO -0.15 0.16 0.49 2.35 1.06 0.00 0.00 176.91 180.83 1nhn h TRP 43 N 0.26 0.91 0.00 -0.22 2.91 -1.35 0.35 115.95 118.80 1nhn h TRP 43 Ca 0.54 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.58 1nhn h TRP 43 Cb 1.64 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.98 1nhn h TRP 43 CO -0.00 0.55 0.00 -2.95 -1.03 0.00 0.00 178.44 175.01 1nhn h ASN 44 N 0.96 0.00 -0.90 2.65 7.08 -1.57 -2.91 115.58 120.88 1nhn h ASN 44 Ca 0.29 0.00 -0.42 0.00 -3.08 0.00 0.00 56.30 53.09 1nhn h ASN 44 Cb -0.03 0.00 -0.25 0.00 -2.08 0.00 0.00 38.32 35.96 1nhn h ASN 44 CO -0.07 0.00 0.53 0.59 -2.08 0.00 0.00 177.43 176.40 1nhn n ASN 45 N -2.51 4.05 -0.79 6.14 3.02 0.07 -4.88 115.26 120.36 1nhn n ASN 45 Ca 0.05 -3.46 0.00 0.00 -0.03 0.00 0.00 54.58 51.14 1nhn n ASN 45 Cb 0.44 -0.81 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 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 -0.82 0.00 -1.18 3.41 5.66 -0.96 -4.95 114.28 115.44 1nhn n THR 46 Ca 0.53 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 61.51 1nhn n THR 46 Cb 1.57 0.00 0.25 0.00 -1.55 0.00 0.00 70.33 70.60 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 4.04 -0.78 1.79 0.00 -1.26 -4.93 120.51 116.37 1nhn n ALA 47 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.80 1nhn n ALA 47 Cb 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -0.68 -0.17 0.00 0.00 0.00 -1.26 -3.72 120.51 114.69 1nhn n ALA 48 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 1nhn n ALA 48 Cb 1.13 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.44 1nhn n ALA 48 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nhn n ASP 49 N -0.01 0.82 -0.81 0.00 2.03 -1.26 -4.74 116.55 112.58 1nhn n ASP 49 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 1nhn n ASP 49 Cb 0.08 0.13 0.27 0.00 -0.72 0.00 0.00 41.12 40.89 1nhn n ASP 49 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1nhn n ASP 50 N -0.46 2.39 0.01 1.67 9.92 -1.24 -3.71 116.55 125.13 1nhn n ASP 50 Ca 0.00 -1.89 -0.18 0.00 -0.53 0.00 0.00 54.79 52.19 1nhn n ASP 50 Cb 0.03 -0.22 -0.14 0.00 -0.64 0.00 0.00 41.12 40.15 1nhn n ASP 50 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 1nhn h LYS 51 N 2.90 0.22 -0.91 -1.24 1.57 -1.89 -3.39 116.57 113.83 1nhn h LYS 51 Ca 0.00 -0.37 0.14 0.00 -1.87 0.00 0.00 60.65 58.55 1nhn h LYS 51 Cb 0.65 0.14 -0.15 0.00 0.08 0.00 0.00 32.23 32.95 1nhn h LYS 51 CO 0.00 1.05 -0.35 1.04 -0.57 0.00 0.00 179.45 180.62 1nhn n GLN 52 N -3.39 -0.21 0.17 3.15 3.00 -1.24 -0.43 117.38 118.43 1nhn n GLN 52 Ca -0.26 1.40 -0.16 0.00 -0.01 0.00 0.00 57.00 57.97 1nhn n GLN 52 Cb 1.05 -2.07 -0.09 0.00 0.00 0.00 0.00 30.24 29.13 1nhn n GLN 52 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 1nhn h PRO 53 N 0.00 -0.75 -0.58 -1.09 0.13 -1.82 -1.60 132.00 126.29 1nhn h PRO 53 Ca 0.32 0.05 0.11 0.00 -0.87 0.00 0.00 66.00 65.62 1nhn h PRO 53 Cb 0.55 0.17 -0.09 0.00 0.13 0.00 0.00 31.00 31.76 1nhn h PRO 53 CO -0.90 -0.50 0.06 1.88 -0.23 0.00 0.00 178.00 178.31 1nhn h TYR 54 N -0.78 0.08 0.16 1.56 0.05 -1.44 -2.87 116.97 113.74 1nhn h TYR 54 Ca -0.03 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1nhn h TYR 54 Cb 0.73 0.05 -0.03 0.00 1.01 0.00 0.00 36.73 38.49 1nhn h TYR 54 CO -0.35 -0.09 -0.41 0.93 -1.05 0.00 0.00 178.16 177.19 1nhn h GLU 55 N 0.19 -0.62 -0.32 4.88 4.39 -0.45 0.42 114.58 123.07 1nhn h GLU 55 Ca 0.30 0.04 0.09 0.00 0.34 0.00 0.00 59.36 60.14 1nhn h GLU 55 Cb 0.46 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1nhn h GLU 55 CO -0.44 -0.41 0.45 1.57 -1.16 0.00 0.00 179.01 179.02 1nhn h LYS 56 N -0.64 0.00 0.00 2.33 5.09 -1.08 0.59 116.57 122.85 1nhn h LYS 56 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1nhn h LYS 56 Cb 0.62 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.95 1nhn h LYS 56 CO -0.19 0.00 -0.10 -0.22 -2.09 0.00 0.00 179.45 176.85 1nhn h LYS 57 N 0.00 0.00 -0.70 0.07 3.64 -1.20 -2.97 116.57 115.41 1nhn h LYS 57 Ca 0.15 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.67 1nhn h LYS 57 Cb 1.06 0.00 -0.13 0.00 -0.41 0.00 0.00 32.23 32.74 1nhn h LYS 57 CO -0.00 0.00 -0.20 0.00 -2.27 0.00 0.00 179.45 176.98 1nhn h ALA 58 N -1.44 0.39 0.03 5.00 0.00 -0.57 -0.66 119.26 122.02 1nhn h ALA 58 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1nhn h ALA 58 Cb 0.10 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1nhn h ALA 58 CO 0.00 -0.45 -0.25 0.00 0.00 0.00 0.00 179.25 178.54 1nhn h ALA 59 N 1.61 -0.37 -0.34 0.00 0.00 -1.06 -1.52 119.26 117.59 1nhn h ALA 59 Ca 0.33 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.29 1nhn h ALA 59 Cb 0.53 0.44 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 1nhn h ALA 59 CO -0.73 -0.76 -0.43 -0.22 0.00 0.00 0.00 179.25 177.11 1nhn h LYS 60 N -0.41 -0.35 -0.06 0.00 3.64 -0.98 0.62 116.57 119.03 1nhn h LYS 60 Ca 0.05 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1nhn h LYS 60 Cb 0.48 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 1nhn h LYS 60 CO -0.20 -0.24 -0.07 -0.07 -2.27 0.00 0.00 179.45 176.60 1nhn h LEU 61 N -0.37 -0.22 -0.80 5.20 3.38 -1.01 -2.66 115.31 118.83 1nhn h LEU 61 Ca 0.12 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 1nhn h LEU 61 Cb 0.59 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1nhn h LEU 61 CO -0.53 -0.10 -0.48 0.07 0.09 0.00 0.00 178.44 177.48 1nhn h LYS 62 N -0.10 0.28 0.12 1.13 2.10 -0.97 -3.10 116.57 116.03 1nhn h LYS 62 Ca 0.05 -0.16 0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1nhn h LYS 62 Cb 0.17 0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 31.47 1nhn h LYS 62 CO -0.12 0.71 -0.34 1.49 -2.00 0.00 0.00 179.45 179.19 1nhn h GLU 63 N 0.23 -0.54 -0.06 0.07 4.22 -0.74 -0.85 114.58 116.90 1nhn h GLU 63 Ca 0.01 0.04 0.02 0.00 0.08 0.00 0.00 59.36 59.51 1nhn h GLU 63 Cb 0.94 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1nhn h GLU 63 CO 0.08 -0.36 -0.45 0.87 -2.18 0.00 0.00 179.01 176.97 1nhn h LYS 64 N -0.56 -0.50 -0.14 1.92 1.79 -1.45 -2.93 116.57 114.69 1nhn h LYS 64 Ca 0.03 0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.55 1nhn h LYS 64 Cb 0.59 0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 1nhn h LYS 64 CO -0.20 -0.33 -0.08 0.98 -1.08 0.00 0.00 179.45 178.73 1nhn n TYR 65 N -4.95 -0.06 -0.59 -1.35 9.36 -0.97 -0.60 117.16 118.00 1nhn n TYR 65 Ca -0.06 0.18 0.47 0.00 3.32 0.00 0.00 57.90 61.82 1nhn n TYR 65 Cb 0.32 -0.49 0.80 0.00 -0.63 0.00 0.00 39.34 39.34 1nhn n TYR 65 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 1nhn h GLU 66 N 0.00 0.01 0.01 2.98 5.08 -0.99 0.23 114.58 121.90 1nhn h GLU 66 Ca 0.02 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1nhn h GLU 66 Cb 0.06 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1nhn h GLU 66 CO -0.13 0.00 -0.59 0.87 -1.00 0.00 0.00 179.01 178.16 1nhn h LYS 67 N 0.01 0.02 -0.96 2.33 6.56 -0.72 -2.63 116.57 121.18 1nhn h LYS 67 Ca 0.83 -0.03 0.23 0.00 -1.06 0.00 0.00 60.65 60.61 1nhn h LYS 67 Cb 3.29 0.01 -0.08 0.00 -0.57 0.00 0.00 32.23 34.89 1nhn h LYS 67 CO -0.03 1.02 0.63 -0.44 -2.06 0.00 0.00 179.45 178.57 1nhn h ASP 68 N -0.95 0.42 -0.01 0.86 5.19 0.10 0.29 116.42 122.33 1nhn h ASP 68 Ca -0.16 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.28 1nhn h ASP 68 Cb 1.18 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.67 1nhn h ASP 68 CO -0.08 0.14 -0.11 -0.29 -3.12 0.00 0.00 179.24 175.79 1nhn h ILE 69 N 0.41 1.55 -0.49 0.35 -0.00 -0.76 -1.94 117.51 116.63 1nhn h ILE 69 Ca 0.52 -1.77 0.12 0.00 -0.00 0.00 0.00 64.86 63.72 1nhn h ILE 69 Cb 1.30 2.70 -0.02 0.00 -0.00 0.00 0.00 36.82 40.79 1nhn h ILE 69 CO -0.22 0.47 0.34 0.00 -0.00 0.00 0.00 178.15 178.75 1nhn h ALA 70 N 0.29 2.27 0.00 0.18 0.00 -0.70 0.16 119.26 121.46 1nhn h ALA 70 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nhn h ALA 70 Cb 0.83 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1nhn h ALA 70 CO 0.02 -0.40 -0.43 0.00 0.00 0.00 0.00 179.25 178.44 1nhn h ALA 71 N 1.76 0.73 0.00 0.00 0.00 -0.43 -0.74 119.26 120.59 1nhn h ALA 71 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1nhn h ALA 71 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nhn h ALA 71 CO -0.03 0.00 -0.90 0.98 0.00 0.00 0.00 179.25 179.30 1nhn n TYR 72 N -2.35 0.43 -0.11 0.00 9.36 0.40 -3.13 117.16 121.77 1nhn n TYR 72 Ca 0.04 0.12 -0.15 0.00 3.32 0.00 0.00 57.90 61.23 1nhn n TYR 72 Cb 0.46 -0.57 -0.10 0.00 -0.63 0.00 0.00 39.34 38.51 1nhn n TYR 72 CO 0.00 0.00 0.00 -2.13 0.22 0.00 0.00 176.86 174.95 1nhn n ARG 73 N -2.09 0.53 -1.96 2.98 0.63 -0.30 -4.42 116.66 112.03 1nhn n ARG 73 Ca 0.02 0.13 -0.38 0.00 -0.92 0.00 0.00 57.85 56.70 1nhn n ARG 73 Cb 0.45 -1.42 0.04 0.00 0.45 0.00 0.00 32.46 31.98 1nhn n ARG 73 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1nhn n ALA 74 N -3.19 6.35 -2.03 5.13 0.00 -0.29 -4.97 120.51 121.51 1nhn n ALA 74 Ca -0.38 -4.12 -0.26 0.00 0.00 0.00 0.00 53.44 48.68 1nhn n ALA 74 Cb 0.89 -1.81 0.04 0.00 0.00 0.00 0.00 19.45 18.57 1nhn n ALA 74 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nhn s LYS 75 N -4.01 2.65 0.00 0.00 2.20 -1.18 -4.77 119.74 114.64 1nhn s LYS 75 Ca 0.52 -0.16 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1nhn s LYS 75 Cb 0.44 -2.26 0.00 0.00 -1.51 0.00 0.00 37.83 34.50 1nhn s LYS 75 CO -0.38 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.16 1nhn n GLY 76 N -2.66 0.00 0.00 5.54 0.00 -1.26 -4.72 105.19 102.08 1nhn n GLY 76 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nhn n GLY 76 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1nhn n LYS 77 N -1.83 0.00 0.02 1.61 4.81 -1.26 -4.98 118.16 116.53 1nhn n LYS 77 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 1nhn n LYS 77 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 1nhn n LYS 77 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1nhn n PRO 78 N 0.00 0.01 -1.73 1.64 -0.02 -1.26 -1.90 135.00 131.73 1nhn n PRO 78 Ca 0.00 0.39 -0.36 0.00 -2.02 0.00 0.00 63.50 61.51 1nhn n PRO 78 Cb 0.00 -1.69 0.05 0.00 -0.02 0.00 0.00 33.50 31.84 1nhn n PRO 78 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1nhn n ASP 79 N -1.45 7.27 -3.40 2.55 8.00 -1.26 -4.75 116.55 123.51 1nhn n ASP 79 Ca -0.00 -3.81 -0.26 0.00 0.71 0.00 0.00 54.79 51.43 1nhn n ASP 79 Cb 0.15 -0.95 -0.08 0.00 -0.02 0.00 0.00 41.12 40.21 1nhn n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nhn n ALA 80 N -0.69 3.30 -0.86 2.24 0.00 -0.80 -4.98 120.51 118.71 1nhn n ALA 80 Ca 0.56 -4.10 0.00 0.00 0.00 0.00 0.00 53.44 49.90 1nhn n ALA 80 Cb 0.47 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.05 1nhn n ALA 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50