#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p7t n ALA 23 N 0.00 -1.35 -0.03 -1.46 0.00 -1.26 -4.79 120.51 111.62 2p7t n ALA 23 Ca 0.00 -0.22 -0.09 0.00 0.00 0.00 0.00 53.44 53.13 2p7t n ALA 23 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 17.54 2p7t n ALA 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2p7t h LEU 24 N -0.31 -0.26 -1.69 0.00 5.85 -2.04 -2.83 115.31 114.03 2p7t h LEU 24 Ca -0.46 0.07 0.11 0.00 0.84 0.00 0.00 57.88 58.44 2p7t h LEU 24 Cb 1.35 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.49 2p7t h LEU 24 CO 0.43 -0.10 0.40 1.12 -0.34 0.00 0.00 178.44 179.95 2p7t h HIS 25 N -0.05 0.37 -0.03 1.25 2.07 -1.96 0.30 115.15 117.10 2p7t h HIS 25 Ca 0.09 0.01 -0.24 0.00 -2.85 0.00 0.00 60.37 57.39 2p7t h HIS 25 Cb 0.19 -0.12 0.01 0.00 2.57 0.00 0.00 27.41 30.06 2p7t h HIS 25 CO -0.23 0.17 -0.94 -1.49 -3.07 0.00 0.00 177.93 172.38 2p7t h TRP 26 N 0.34 0.83 -0.42 6.12 -0.00 -1.87 -0.89 115.95 120.07 2p7t h TRP 26 Ca 0.28 -0.43 -0.09 0.00 -0.00 0.00 0.00 58.89 58.65 2p7t h TRP 26 Cb 0.63 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.67 2p7t h TRP 26 CO -0.00 1.25 -0.08 0.00 -0.00 0.00 0.00 178.44 179.62 2p7t h ARG 27 N 0.34 0.80 -0.57 0.49 3.08 -1.02 -0.70 114.38 116.79 2p7t h ARG 27 Ca -0.09 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.65 2p7t h ARG 27 Cb 1.57 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 31.54 2p7t h ARG 27 CO 0.17 0.91 0.28 0.00 -1.07 0.00 0.00 179.97 180.26 2p7t h ALA 28 N 0.86 0.73 -0.79 0.04 0.00 -0.44 0.23 119.26 119.90 2p7t h ALA 28 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2p7t h ALA 28 Cb 0.60 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2p7t h ALA 28 CO 0.04 0.29 0.48 0.00 0.00 0.00 0.00 179.25 180.06 2p7t h ALA 29 N 1.11 1.00 -0.14 0.00 0.00 -0.92 0.22 119.26 120.53 2p7t h ALA 29 Ca 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2p7t h ALA 29 Cb 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2p7t h ALA 29 CO -0.03 0.47 0.02 0.78 0.00 0.00 0.00 179.25 180.49 2p7t h GLY 30 N 1.08 0.25 1.17 0.00 0.00 -0.67 -2.30 103.07 102.60 2p7t h GLY 30 Ca 0.28 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2p7t h GLY 30 CO -0.05 0.16 0.32 0.00 0.00 0.00 0.00 176.54 176.97 2p7t h ALA 31 N 0.79 1.19 -0.76 3.60 0.00 -0.66 -2.25 119.26 121.16 2p7t h ALA 31 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 2p7t h ALA 31 Cb 0.32 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2p7t h ALA 31 CO 0.00 0.60 0.42 0.00 0.00 0.00 0.00 179.25 180.28 2p7t h ALA 32 N 1.30 0.98 -0.36 0.00 0.00 -0.47 -0.48 119.26 120.22 2p7t h ALA 32 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2p7t h ALA 32 Cb 0.15 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2p7t h ALA 32 CO -0.03 0.48 0.19 1.15 0.00 0.00 0.00 179.25 181.04 2p7t h THR 33 N 1.05 1.16 -0.55 0.00 2.02 -0.91 0.53 112.91 116.21 2p7t h THR 33 Ca 0.27 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 2p7t h THR 33 Cb 0.03 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2p7t h THR 33 CO -0.04 0.16 0.09 0.58 0.37 0.00 0.00 175.52 176.68 2p7t h VAL 34 N 0.46 1.25 -0.60 3.16 2.07 -1.16 -1.89 116.25 119.54 2p7t h VAL 34 Ca 0.13 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 2p7t h VAL 34 Cb 0.09 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2p7t h VAL 34 CO -0.02 0.35 0.17 0.25 0.02 0.00 0.00 177.57 178.34 2p7t h LEU 35 N 0.79 0.88 -0.43 2.57 5.85 -0.87 -1.76 115.31 122.34 2p7t h LEU 35 Ca 0.17 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.68 2p7t h LEU 35 Cb 0.40 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 2p7t h LEU 35 CO 0.01 0.86 0.28 0.25 -0.34 0.00 0.00 178.44 179.50 2p7t h LEU 36 N 0.85 0.47 -1.04 2.25 5.85 -0.67 0.40 115.31 123.41 2p7t h LEU 36 Ca 0.19 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.96 2p7t h LEU 36 Cb 0.30 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 2p7t h LEU 36 CO -0.00 0.34 0.64 0.58 -0.34 0.00 0.00 178.44 179.65 2p7t h VAL 37 N 0.56 1.12 -0.60 1.05 2.07 -1.09 0.14 116.25 119.49 2p7t h VAL 37 Ca 0.16 -0.41 -0.07 0.00 0.82 0.00 0.00 66.70 67.21 2p7t h VAL 37 Cb -0.04 -0.17 -0.02 0.00 -1.52 0.00 0.00 31.29 29.54 2p7t h VAL 37 CO -0.05 0.22 0.12 0.40 0.02 0.00 0.00 177.57 178.28 2p7t h ILE 38 N 1.18 1.26 -0.56 4.57 1.08 -0.41 -0.77 117.51 123.86 2p7t h ILE 38 Ca 0.41 -0.96 -0.09 0.00 -0.39 0.00 0.00 64.86 63.83 2p7t h ILE 38 Cb 0.10 0.72 -0.02 0.00 -3.07 0.00 0.00 36.82 34.55 2p7t h ILE 38 CO -0.15 0.35 -0.01 0.58 -0.69 0.00 0.00 178.15 178.23 2p7t h VAL 39 N 0.89 1.27 -0.49 1.67 2.07 0.14 0.31 116.25 122.10 2p7t h VAL 39 Ca 0.19 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 2p7t h VAL 39 Cb 0.39 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2p7t h VAL 39 CO 0.01 0.41 0.19 -0.07 0.02 0.00 0.00 177.57 178.12 2p7t h LEU 40 N 0.88 0.69 0.26 2.57 3.38 -0.58 0.96 115.31 123.47 2p7t h LEU 40 Ca 0.16 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2p7t h LEU 40 Cb 0.56 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2p7t h LEU 40 CO 0.03 0.68 -0.13 -0.07 0.09 0.00 0.00 178.44 179.04 2p7t h LEU 41 N 0.65 -0.30 -0.98 1.67 3.38 -0.91 -2.11 115.31 116.71 2p7t h LEU 41 Ca 0.16 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.43 2p7t h LEU 41 Cb 0.21 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 40.90 2p7t h LEU 41 CO -0.01 -0.18 0.52 0.00 0.09 0.00 0.00 178.44 178.87 2p7t h ALA 42 N -1.76 1.80 -0.31 1.53 0.00 -0.31 0.36 119.26 120.56 2p7t h ALA 42 Ca -0.04 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 2p7t h ALA 42 Cb 0.27 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2p7t h ALA 42 CO 0.06 -0.47 0.02 0.78 0.00 0.00 0.00 179.25 179.64 2p7t h GLY 43 N 0.38 0.51 1.11 0.00 0.00 0.11 -1.88 103.07 103.30 2p7t h GLY 43 Ca 0.68 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.60 2p7t h GLY 43 CO -0.57 0.27 -0.18 1.76 0.00 0.00 0.00 176.54 177.81 2p7t h SER 44 N 0.46 1.04 -0.11 0.19 0.02 -0.22 -0.00 113.55 114.93 2p7t h SER 44 Ca 0.10 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.65 2p7t h SER 44 Cb 0.27 -0.29 -0.00 0.00 0.14 0.00 0.00 62.40 62.53 2p7t h SER 44 CO 0.01 1.19 -0.01 0.22 -1.14 0.00 0.00 176.83 177.09 2p7t h TYR 45 N 0.89 0.22 -0.09 3.45 3.20 -1.40 -2.52 116.97 120.71 2p7t h TYR 45 Ca 0.12 -0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 2p7t h TYR 45 Cb 0.76 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2p7t h TYR 45 CO 0.05 0.47 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.56 2p7t h LEU 46 N -0.09 0.21 -0.15 2.82 3.38 -1.34 -1.30 115.31 118.84 2p7t h LEU 46 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2p7t h LEU 46 Cb 0.39 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2p7t h LEU 46 CO 0.01 0.61 0.02 0.00 0.09 0.00 0.00 178.44 179.17 2p7t h ALA 47 N 1.40 0.20 -0.85 1.53 0.00 -0.94 0.11 119.26 120.70 2p7t h ALA 47 Ca 0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2p7t h ALA 47 Cb 0.81 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.50 2p7t h ALA 47 CO 0.06 -0.14 0.46 0.28 0.00 0.00 0.00 179.25 179.92 2p7t h VAL 48 N 0.02 1.25 -0.57 0.00 2.07 -1.31 0.13 116.25 117.85 2p7t h VAL 48 Ca 0.04 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 66.92 2p7t h VAL 48 Cb 0.31 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2p7t h VAL 48 CO 0.00 0.28 0.31 0.25 0.02 0.00 0.00 177.57 178.44 2p7t h LEU 49 N 1.19 0.72 -0.38 2.57 5.85 -0.94 -2.18 115.31 122.13 2p7t h LEU 49 Ca 0.30 -0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.74 2p7t h LEU 49 Cb 0.04 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 2p7t h LEU 49 CO -0.05 0.61 -0.73 0.00 -0.34 0.00 0.00 178.44 177.93 2p7t h ALA 50 N 1.14 0.57 0.06 1.25 0.00 -0.33 -3.36 119.26 118.59 2p7t h ALA 50 Ca 0.20 -0.60 -0.26 0.00 0.00 0.00 0.00 54.91 54.25 2p7t h ALA 50 Cb 0.05 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2p7t h ALA 50 CO -0.03 0.75 -1.27 0.93 0.00 0.00 0.00 179.25 179.63 2p7t h GLU 51 N 0.31 0.12 -6.86 0.00 4.39 -0.64 -3.44 114.58 108.45 2p7t h GLU 51 Ca -0.03 -0.20 -0.53 0.00 0.34 0.00 0.00 59.36 58.94 2p7t h GLU 51 Cb 1.31 0.08 0.08 0.00 -0.10 0.00 0.00 28.75 30.11 2p7t h GLU 51 CO 0.13 1.01 0.74 1.03 -1.16 0.00 0.00 179.01 180.75 2p7t s ARG 52 N -2.66 4.23 0.00 2.33 0.52 -0.83 -1.81 118.95 120.73 2p7t s ARG 52 Ca -0.03 2.39 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 2p7t s ARG 52 Cb 0.08 -3.04 0.00 0.00 0.52 0.00 0.00 34.95 32.51 2p7t s ARG 52 CO 0.84 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 176.18 2p7t n GLY 53 N 1.17 0.65 3.34 -3.53 0.00 -1.26 -4.99 105.19 100.56 2p7t n GLY 53 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2p7t n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p7t s ALA 54 N -2.06 3.25 0.04 4.61 0.00 -0.75 -5.05 121.76 121.81 2p7t s ALA 54 Ca 0.00 -1.84 -0.36 0.00 0.00 0.00 0.00 51.96 49.76 2p7t s ALA 54 Cb 0.00 -2.58 -0.16 0.00 0.00 0.00 0.00 23.12 20.39 2p7t s ALA 54 CO 0.00 -1.46 1.49 -2.30 0.00 0.00 0.00 175.76 173.49 2p7t n PRO 55 N 4.96 1.47 0.00 0.00 -0.02 -1.26 -1.20 135.00 138.95 2p7t n PRO 55 Ca -0.11 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2p7t n PRO 55 Cb 0.45 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2p7t n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2p7t n GLY 56 N 3.10 2.15 3.77 -1.23 0.00 -1.26 -5.04 105.19 106.67 2p7t n GLY 56 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2p7t n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2p7t s ALA 57 N -2.31 3.26 -0.14 4.61 0.00 -0.34 -4.94 121.76 121.90 2p7t s ALA 57 Ca 0.00 1.44 0.08 0.00 0.00 0.00 0.00 51.96 53.48 2p7t s ALA 57 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 2p7t s ALA 57 CO 0.00 -1.14 0.23 1.04 0.00 0.00 0.00 175.76 175.89 2p7t n GLN 58 N -0.12 1.77 -2.08 0.00 6.02 -1.26 -4.78 117.38 116.93 2p7t n GLN 58 Ca 0.05 -0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 2p7t n GLN 58 Cb 0.42 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 30.61 2p7t n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2p7t n LEU 59 N -1.56 6.98 0.00 1.08 7.94 -1.26 -4.53 117.00 125.65 2p7t n LEU 59 Ca -0.00 -4.52 0.00 0.00 -1.11 0.00 0.00 56.01 50.37 2p7t n LEU 59 Cb 0.18 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.61 2p7t n LEU 59 CO 0.17 1.42 0.25 2.30 -1.11 0.00 0.00 177.39 180.41 2p7t n ILE 60 N 3.64 0.24 -4.59 1.96 -5.35 -1.26 -3.97 119.36 110.03 2p7t n ILE 60 Ca 0.47 -0.36 -0.23 0.00 -0.27 0.00 0.00 62.75 62.36 2p7t n ILE 60 Cb 0.35 1.13 -0.14 0.00 -1.74 0.00 0.00 39.64 39.24 2p7t n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2p7t s THR 61 N -0.24 1.30 0.19 7.28 -4.23 -1.26 -4.95 115.64 113.72 2p7t s THR 61 Ca 0.00 -0.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.49 2p7t s THR 61 Cb 0.00 -1.12 0.11 0.00 1.34 0.00 0.00 72.50 72.83 2p7t s THR 61 CO 0.00 0.21 1.85 1.88 -0.54 0.00 0.00 174.62 178.02 2p7t h TYR 62 N 5.29 0.81 -0.16 3.99 -1.99 -1.96 -2.21 116.97 120.73 2p7t h TYR 62 Ca -0.38 0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.38 2p7t h TYR 62 Cb 1.16 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 39.61 2p7t h TYR 62 CO 0.46 0.52 0.07 -1.35 -0.00 0.00 0.00 178.16 177.86 2p7t h PRO 63 N 0.86 0.15 0.00 4.88 0.11 -1.98 -1.05 132.00 134.98 2p7t h PRO 63 Ca 0.23 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2p7t h PRO 63 Cb -0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 2p7t h PRO 63 CO -0.05 0.10 -0.20 0.07 -0.21 0.00 0.00 178.00 177.71 2p7t h ARG 64 N 0.15 0.00 -0.22 1.05 0.11 -1.98 -2.30 114.38 111.19 2p7t h ARG 64 Ca 0.07 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 60.04 2p7t h ARG 64 Cb 0.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.10 2p7t h ARG 64 CO -0.06 0.20 -0.32 0.00 0.10 0.00 0.00 179.97 179.89 2p7t h ALA 65 N 1.80 1.03 -0.22 0.08 0.00 -0.79 0.16 119.26 121.32 2p7t h ALA 65 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 2p7t h ALA 65 Cb 0.75 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2p7t h ALA 65 CO 0.03 0.59 -0.51 1.25 0.00 0.00 0.00 179.25 180.61 2p7t h LEU 66 N 0.40 0.67 -0.68 0.00 5.85 -0.68 0.11 115.31 120.97 2p7t h LEU 66 Ca 0.05 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 2p7t h LEU 66 Cb 0.76 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 2p7t h LEU 66 CO 0.06 1.06 0.23 -0.25 -0.34 0.00 0.00 178.44 179.20 2p7t h TRP 67 N 0.47 1.07 -0.33 1.25 -0.00 -0.94 -1.51 115.95 115.96 2p7t h TRP 67 Ca 0.02 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.79 2p7t h TRP 67 Cb 1.05 -0.31 -0.01 0.00 -0.00 0.00 0.00 29.16 29.89 2p7t h TRP 67 CO 0.05 0.85 0.12 2.35 -0.00 0.00 0.00 178.44 181.81 2p7t h TRP 68 N 0.98 0.52 -0.23 2.65 7.01 -0.31 -1.76 115.95 124.81 2p7t h TRP 68 Ca 0.22 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.20 2p7t h TRP 68 Cb 0.27 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2p7t h TRP 68 CO 0.02 0.51 0.06 0.77 -2.79 0.00 0.00 178.44 177.01 2p7t h SER 69 N 0.39 0.03 -0.51 2.65 0.02 -0.51 -1.47 113.55 114.14 2p7t h SER 69 Ca 0.11 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2p7t h SER 69 Cb 0.22 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2p7t h SER 69 CO -0.01 0.05 -0.07 1.62 -1.14 0.00 0.00 176.83 177.29 2p7t h VAL 70 N 0.15 1.27 0.00 2.27 3.04 -1.22 0.13 116.25 121.89 2p7t h VAL 70 Ca 0.11 -1.20 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 2p7t h VAL 70 Cb 0.10 1.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2p7t h VAL 70 CO -0.13 0.42 0.00 -1.54 -1.01 0.00 0.00 177.57 175.31 2p7t n SER 71 N -4.23 0.00 -0.08 3.17 3.41 -0.67 -1.86 113.62 113.36 2p7t n SER 71 Ca 0.01 0.33 -0.22 0.00 -0.26 0.00 0.00 58.87 58.74 2p7t n SER 71 Cb 0.37 -0.43 -0.12 0.00 -0.26 0.00 0.00 64.21 63.77 2p7t n SER 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2p7t n THR 72 N -1.43 1.60 0.07 6.66 -1.04 -0.57 -0.56 114.28 119.02 2p7t n THR 72 Ca 0.06 -0.49 0.04 0.00 -2.04 0.00 0.00 64.05 61.61 2p7t n THR 72 Cb 0.19 -1.69 0.43 0.00 -1.82 0.00 0.00 70.33 67.45 2p7t n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2p7t h ALA 73 N -0.20 1.66 -0.00 2.41 0.00 -0.74 0.24 119.26 122.62 2p7t h ALA 73 Ca -0.52 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.30 2p7t h ALA 73 Cb 1.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2p7t h ALA 73 CO -0.10 0.27 -0.10 0.25 0.00 0.00 0.00 179.25 179.57 2p7t n THR 74 N -4.41 0.00 -1.67 0.00 -2.24 -0.77 -3.75 114.28 101.43 2p7t n THR 74 Ca 0.01 -0.08 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 2p7t n THR 74 Cb 0.14 -0.03 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 2p7t n THR 74 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2p7t n THR 75 N -0.82 -0.20 -0.07 4.28 -2.24 0.85 -4.92 114.28 111.16 2p7t n THR 75 Ca 0.15 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 2p7t n THR 75 Cb 0.28 -1.74 -0.05 0.00 -2.10 0.00 0.00 70.33 66.71 2p7t n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2p7t h VAL 76 N 0.00 1.31 -6.34 2.28 2.07 -1.11 -3.48 116.25 110.97 2p7t h VAL 76 Ca -0.31 -1.60 -0.47 0.00 0.82 0.00 0.00 66.70 65.13 2p7t h VAL 76 Cb 1.04 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 32.56 2p7t h VAL 76 CO 0.43 0.51 -0.88 0.61 0.02 0.00 0.00 177.57 178.26 2p7t n GLY 77 N 0.34 -0.34 0.50 2.17 0.00 0.28 -4.88 105.19 103.27 2p7t n GLY 77 Ca -0.05 0.18 0.33 0.00 0.00 0.00 0.00 46.02 46.48 2p7t n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2p7t h TYR 78 N -1.85 0.18 0.00 1.61 -1.99 -1.92 -3.45 116.97 109.55 2p7t h TYR 78 Ca -0.63 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.11 2p7t h TYR 78 Cb 1.37 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 40.05 2p7t h TYR 78 CO 0.46 0.00 0.00 0.41 -0.00 0.00 0.00 178.16 179.04 2p7t n GLY 79 N -1.69 0.75 0.21 3.88 0.00 -1.26 -4.90 105.19 102.18 2p7t n GLY 79 Ca 0.26 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.37 2p7t n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2p7t h ASP 80 N 0.00 0.00 -4.17 1.61 2.03 -2.02 -3.44 116.42 110.43 2p7t h ASP 80 Ca 0.00 0.00 -0.17 0.00 -0.73 0.00 0.00 57.03 56.13 2p7t h ASP 80 Cb 0.00 0.00 -0.25 0.00 -0.83 0.00 0.00 39.33 38.25 2p7t h ASP 80 CO 0.00 0.25 -0.52 -0.76 -1.03 0.00 0.00 179.24 177.18 2p7t s LEU 81 N -6.65 1.46 -0.07 0.15 1.43 -1.26 -5.06 118.68 108.68 2p7t s LEU 81 Ca 0.02 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.97 2p7t s LEU 81 Cb 0.09 0.57 0.11 0.00 0.03 0.00 0.00 46.19 47.00 2p7t s LEU 81 CO 0.66 -0.15 0.92 -0.72 0.23 0.00 0.00 176.35 177.28 2p7t s TYR 82 N -0.39 -0.37 0.38 0.29 -0.85 -1.26 -4.94 117.35 110.20 2p7t s TYR 82 Ca -0.05 0.43 -0.24 0.00 -0.52 0.00 0.00 57.07 56.69 2p7t s TYR 82 Cb -0.03 0.50 -0.10 0.00 0.38 0.00 0.00 41.96 42.71 2p7t s TYR 82 CO 0.01 -0.47 0.98 -1.25 -1.52 0.00 0.00 175.55 173.29 2p7t s PRO 83 N -2.24 4.35 -0.00 -3.49 0.04 -1.26 -4.54 135.00 127.86 2p7t s PRO 83 Ca 0.01 1.33 0.06 0.00 0.04 0.00 0.00 61.00 62.45 2p7t s PRO 83 Cb -0.01 -2.55 -0.08 0.00 0.04 0.00 0.00 34.50 31.90 2p7t s PRO 83 CO -0.04 0.06 0.23 1.33 0.04 0.00 0.00 177.00 178.62 2p7t n VAL 84 N 0.03 0.00 -3.09 -0.36 0.24 -1.26 -4.81 118.33 109.07 2p7t n VAL 84 Ca 0.04 -0.28 -0.20 0.00 -2.04 0.00 0.00 64.34 61.86 2p7t n VAL 84 Cb 0.51 0.78 0.01 0.00 -1.47 0.00 0.00 33.84 33.68 2p7t n VAL 84 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2p7t s THR 85 N -1.88 3.58 0.07 3.34 -4.23 -1.26 -4.98 115.64 110.27 2p7t s THR 85 Ca 0.01 -0.80 -0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2p7t s THR 85 Cb 0.05 -3.27 -0.17 0.00 1.34 0.00 0.00 72.50 70.45 2p7t s THR 85 CO 0.27 -0.14 1.65 0.25 -0.54 0.00 0.00 174.62 176.10 2p7t h LEU 86 N 0.56 -0.35 -1.17 4.79 5.85 -1.96 -1.42 115.31 121.61 2p7t h LEU 86 Ca -0.44 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.19 2p7t h LEU 86 Cb 1.27 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 2p7t h LEU 86 CO 0.52 -0.23 -0.38 -0.50 -0.34 0.00 0.00 178.44 177.51 2p7t h TRP 87 N -0.45 0.00 -0.40 1.25 4.06 -1.96 0.05 115.95 118.51 2p7t h TRP 87 Ca -0.04 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.77 2p7t h TRP 87 Cb 0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.49 2p7t h TRP 87 CO -0.05 0.38 -0.29 0.78 -3.56 0.00 0.00 178.44 175.71 2p7t h GLY 88 N 1.46 0.94 1.69 1.49 0.00 -1.83 -0.62 103.07 106.21 2p7t h GLY 88 Ca -0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 47.33 46.30 2p7t h GLY 88 CO 0.05 0.79 -0.63 3.21 0.00 0.00 0.00 176.54 179.96 2p7t h ARG 89 N 0.73 0.31 -0.39 4.80 3.08 -0.82 -0.47 114.38 121.62 2p7t h ARG 89 Ca 0.08 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.84 2p7t h ARG 89 Cb 0.84 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 2p7t h ARG 89 CO 0.07 0.84 -0.02 0.00 -1.07 0.00 0.00 179.97 179.79 2p7t h VAL 91 N 0.52 1.13 -0.50 0.00 2.07 -0.93 -2.20 116.25 116.34 2p7t h VAL 91 Ca 0.11 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.38 2p7t h VAL 91 Cb 0.51 0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 30.39 2p7t h VAL 91 CO 0.02 0.16 0.23 0.00 0.02 0.00 0.00 177.57 178.01 2p7t h ALA 92 N 1.27 0.63 -0.98 1.67 0.00 -0.54 -1.30 119.26 120.02 2p7t h ALA 92 Ca 0.27 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2p7t h ALA 92 Cb -0.04 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2p7t h ALA 92 CO -0.08 -0.14 0.65 0.28 0.00 0.00 0.00 179.25 179.95 2p7t h VAL 93 N 0.45 1.22 -0.41 0.00 2.07 -0.53 0.93 116.25 119.98 2p7t h VAL 93 Ca 0.23 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2p7t h VAL 93 Cb 0.18 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2p7t h VAL 93 CO -0.19 0.24 0.14 0.58 0.02 0.00 0.00 177.57 178.36 2p7t h VAL 94 N 1.29 1.21 -0.31 2.57 2.07 -0.82 -0.69 116.25 121.57 2p7t h VAL 94 Ca 0.37 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.20 2p7t h VAL 94 Cb -0.10 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 2p7t h VAL 94 CO -0.09 0.24 0.18 0.58 0.02 0.00 0.00 177.57 178.50 2p7t h VAL 95 N 0.52 1.11 0.16 2.57 2.07 -0.62 -0.78 116.25 121.29 2p7t h VAL 95 Ca 0.13 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 67.38 2p7t h VAL 95 Cb 0.24 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2p7t h VAL 95 CO -0.01 0.11 -0.21 0.24 0.02 0.00 0.00 177.57 177.73 2p7t h MET 96 N 0.39 -0.41 -0.64 1.57 2.07 -0.62 -1.28 114.93 116.01 2p7t h MET 96 Ca 0.11 0.03 0.02 0.00 -2.07 0.00 0.00 59.70 57.79 2p7t h MET 96 Cb 0.02 0.09 -0.04 0.00 -1.87 0.00 0.00 31.60 29.81 2p7t h MET 96 CO -0.02 -0.28 0.40 0.28 1.07 0.00 0.00 176.91 178.36 2p7t h VAL 97 N -0.43 1.10 -0.88 -2.22 2.07 -1.01 -0.07 116.25 114.81 2p7t h VAL 97 Ca 0.01 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2p7t h VAL 97 Cb 0.43 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 2p7t h VAL 97 CO -0.08 0.15 0.47 0.00 0.02 0.00 0.00 177.57 178.12 2p7t h ALA 98 N 1.26 1.13 0.15 1.67 0.00 -0.97 -0.93 119.26 121.57 2p7t h ALA 98 Ca 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2p7t h ALA 98 Cb -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.43 2p7t h ALA 98 CO -0.09 0.65 -0.07 0.78 0.00 0.00 0.00 179.25 180.52 2p7t h GLY 99 N 1.23 -0.21 0.72 0.00 0.00 -0.75 -1.09 103.07 102.98 2p7t h GLY 99 Ca 0.31 0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.74 2p7t h GLY 99 CO -0.05 -0.07 -0.01 -2.22 0.00 0.00 0.00 176.54 174.19 2p7t h ILE 100 N -0.56 0.87 -0.34 2.60 2.04 -0.92 -1.41 117.51 119.79 2p7t h ILE 100 Ca -0.02 -0.02 -0.11 0.00 1.00 0.00 0.00 64.86 65.71 2p7t h ILE 100 Cb 0.43 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 2p7t h ILE 100 CO 0.03 0.01 -0.25 0.71 0.00 0.00 0.00 178.15 178.66 2p7t h THR 101 N 0.05 1.27 0.12 -0.27 1.35 -1.23 0.12 112.91 114.32 2p7t h THR 101 Ca 0.08 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 2p7t h THR 101 Cb 0.11 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 2p7t h THR 101 CO -0.15 0.44 -0.06 0.28 -0.25 0.00 0.00 175.52 175.79 2p7t h SER 102 N 0.59 -0.13 0.00 5.36 0.02 -0.93 0.87 113.55 119.33 2p7t h SER 102 Ca 0.08 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2p7t h SER 102 Cb 0.73 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2p7t h SER 102 CO 0.06 0.04 -0.23 -0.26 -1.14 0.00 0.00 176.83 175.29 2p7t h PHE 103 N -0.30 0.42 -0.65 3.45 -1.00 -1.24 -2.10 116.94 115.53 2p7t h PHE 103 Ca -0.02 -0.08 -0.03 0.00 2.81 0.00 0.00 57.97 60.65 2p7t h PHE 103 Cb 0.25 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 39.67 2p7t h PHE 103 CO -0.02 0.59 0.27 0.78 -1.61 0.00 0.00 178.31 178.31 2p7t h GLY 104 N 0.99 1.01 1.57 -1.45 0.00 -0.67 -1.80 103.07 102.71 2p7t h GLY 104 Ca 0.06 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 2p7t h GLY 104 CO 0.04 0.49 -0.20 -2.00 0.00 0.00 0.00 176.54 174.87 2p7t h LEU 105 N 0.93 0.51 -0.64 3.11 6.46 -0.18 -0.47 115.31 125.02 2p7t h LEU 105 Ca 0.22 -0.16 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 2p7t h LEU 105 Cb 0.16 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.93 2p7t h LEU 105 CO -0.02 0.72 0.17 0.58 -0.62 0.00 0.00 178.44 179.27 2p7t h VAL 106 N 0.46 1.25 -0.59 1.05 2.07 -0.84 -0.54 116.25 119.10 2p7t h VAL 106 Ca 0.07 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2p7t h VAL 106 Cb 0.61 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2p7t h VAL 106 CO 0.04 0.35 0.37 0.74 0.02 0.00 0.00 177.57 179.09 2p7t h THR 107 N 0.94 1.17 -0.56 2.57 2.02 -0.70 -1.02 112.91 117.33 2p7t h THR 107 Ca 0.20 -0.36 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 2p7t h THR 107 Cb 0.34 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.06 2p7t h THR 107 CO -0.00 0.17 0.22 0.00 0.37 0.00 0.00 175.52 176.28 2p7t h ALA 108 N 1.19 1.33 -0.27 6.16 0.00 -0.60 -1.18 119.26 125.89 2p7t h ALA 108 Ca 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2p7t h ALA 108 Cb -0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2p7t h ALA 108 CO -0.04 0.50 -0.44 0.00 0.00 0.00 0.00 179.25 179.26 2p7t h ALA 109 N 1.44 0.71 -0.64 0.00 0.00 -0.55 -1.91 119.26 118.31 2p7t h ALA 109 Ca 0.19 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2p7t h ALA 109 Cb 0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2p7t h ALA 109 CO -0.02 0.67 0.13 -0.07 0.00 0.00 0.00 179.25 179.96 2p7t h LEU 110 N 0.56 0.99 -0.61 0.00 3.38 -0.69 -1.33 115.31 117.62 2p7t h LEU 110 Ca 0.04 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2p7t h LEU 110 Cb 0.99 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 2p7t h LEU 110 CO 0.09 0.98 0.35 0.00 0.09 0.00 0.00 178.44 179.96 2p7t h ALA 111 N 1.04 0.78 -0.65 1.53 0.00 -1.04 -0.56 119.26 120.36 2p7t h ALA 111 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2p7t h ALA 111 Cb 0.40 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2p7t h ALA 111 CO 0.01 0.27 0.34 1.15 0.00 0.00 0.00 179.25 181.02 2p7t h THR 112 N 0.82 1.21 -0.09 0.00 2.02 -1.06 0.10 112.91 115.92 2p7t h THR 112 Ca 0.22 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.86 2p7t h THR 112 Cb 0.00 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 2p7t h THR 112 CO -0.04 0.23 0.04 -0.25 0.37 0.00 0.00 175.52 175.88 2p7t h TRP 113 N 0.88 0.08 -0.64 3.16 7.01 -0.76 -0.93 115.95 124.76 2p7t h TRP 113 Ca 0.23 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.18 2p7t h TRP 113 Cb 0.06 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.07 2p7t h TRP 113 CO -0.01 0.05 0.20 0.74 -2.79 0.00 0.00 178.44 176.63 2p7t h PHE 114 N 0.10 1.02 -0.66 2.65 0.04 -0.84 -1.77 116.94 117.49 2p7t h PHE 114 Ca 0.03 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 2p7t h PHE 114 Cb 0.00 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 2p7t h PHE 114 CO -0.08 0.84 0.39 0.28 -0.60 0.00 0.00 178.31 179.13 2p7t h VAL 115 N 0.92 1.19 -0.52 -0.55 2.07 -0.64 -1.16 116.25 117.56 2p7t h VAL 115 Ca 0.21 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 2p7t h VAL 115 Cb 0.29 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 2p7t h VAL 115 CO -0.01 0.20 0.18 1.23 0.02 0.00 0.00 177.57 179.20 2p7t h GLY 116 N 0.89 0.86 1.51 2.17 0.00 -0.89 -2.08 103.07 105.53 2p7t h GLY 116 Ca 0.23 -0.49 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 2p7t h GLY 116 CO -0.04 0.46 -0.22 3.21 0.00 0.00 0.00 176.54 179.95 2p7t h ARG 117 N 0.71 0.58 -0.27 4.80 2.47 -1.08 -2.41 114.38 119.17 2p7t h ARG 117 Ca 0.17 -0.21 -0.14 0.00 -1.26 0.00 0.00 59.98 58.54 2p7t h ARG 117 Cb 0.25 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 2p7t h ARG 117 CO -0.01 0.76 -0.40 1.49 0.56 0.00 0.00 179.97 182.37 2p7t h GLU 118 N 0.51 0.65 -0.44 0.04 4.57 -1.05 -0.60 114.58 118.27 2p7t h GLU 118 Ca 0.08 -0.33 -0.00 0.00 -1.18 0.00 0.00 59.36 57.92 2p7t h GLU 118 Cb 0.66 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.24 2p7t h GLU 118 CO 0.05 0.94 0.27 1.96 -1.18 0.00 0.00 179.01 181.05 2p7t h GLN 119 N 0.54 0.59 -0.38 1.92 1.08 -1.13 -1.02 115.11 116.70 2p7t h GLN 119 Ca 0.05 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2p7t h GLN 119 Cb 0.92 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 28.21 2p7t h GLN 119 CO 0.08 0.42 0.22 0.93 -0.95 0.00 0.00 178.83 179.54 2p7t h GLU 120 N 0.58 0.52 -0.00 1.46 5.08 -1.24 0.28 114.58 121.26 2p7t h GLU 120 Ca 0.16 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2p7t h GLU 120 Cb -0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.12 2p7t h GLU 120 CO -0.03 0.40 0.04 -0.09 -1.00 0.00 0.00 179.01 178.32 2p7t h ARG 121 N 0.49 0.00 -0.62 2.33 2.43 -0.68 0.55 114.38 118.89 2p7t h ARG 121 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2p7t h ARG 121 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2p7t h ARG 121 CO -0.02 0.00 0.00 0.54 -1.51 0.00 0.00 179.97 178.98 2p7t n ARG 122 N -3.16 2.55 -2.30 0.20 1.74 -0.10 -4.94 116.66 110.66 2p7t n ARG 122 Ca -0.03 -2.40 -0.04 0.00 -0.77 0.00 0.00 57.85 54.62 2p7t n ARG 122 Cb 0.11 -1.53 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 2p7t n ARG 122 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2p7t n GLY 123 N 1.56 0.38 0.00 -0.13 0.00 0.19 -5.05 105.19 102.15 2p7t n GLY 123 Ca 0.22 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2p7t n GLY 123 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74