#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qto n LEU 24 N 0.00 1.63 -0.28 0.00 7.94 -1.26 -4.41 117.00 120.63 2qto n LEU 24 Ca 0.00 0.26 0.08 0.00 -1.11 0.00 0.00 56.01 55.24 2qto n LEU 24 Cb 0.00 -0.60 0.22 0.00 0.53 0.00 0.00 43.42 43.57 2qto n LEU 24 CO 0.00 -0.33 1.04 1.12 -1.11 0.00 0.00 177.39 178.11 2qto h HIS 25 N -0.67 0.59 0.00 1.96 2.07 -1.98 0.88 115.15 117.99 2qto h HIS 25 Ca -0.06 0.04 -0.11 0.00 -2.85 0.00 0.00 60.37 57.39 2qto h HIS 25 Cb 0.76 -0.14 -0.02 0.00 2.57 0.00 0.00 27.41 30.59 2qto h HIS 25 CO -0.26 0.06 -0.54 2.35 -3.07 0.00 0.00 177.93 176.47 2qto h TRP 26 N 0.47 0.00 0.00 6.12 -0.00 -1.89 -3.19 115.95 117.46 2qto h TRP 26 Ca 0.46 0.00 -0.36 0.00 -0.00 0.00 0.00 58.89 58.99 2qto h TRP 26 Cb 0.74 0.00 -0.07 0.00 -0.00 0.00 0.00 29.16 29.83 2qto h TRP 26 CO -0.15 0.54 -2.29 0.54 -0.00 0.00 0.00 178.44 177.08 2qto n ARG 27 N -3.53 0.68 -0.07 2.65 1.74 -0.18 -3.71 116.66 114.24 2qto n ARG 27 Ca -0.00 0.06 -0.05 0.00 -0.77 0.00 0.00 57.85 57.08 2qto n ARG 27 Cb 0.63 -1.56 0.15 0.00 -1.02 0.00 0.00 32.46 30.65 2qto n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qto h ALA 28 N 0.87 1.03 0.20 7.54 0.00 0.59 -2.52 119.26 126.97 2qto h ALA 28 Ca -0.51 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 2qto h ALA 28 Cb 2.17 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2qto h ALA 28 CO 0.03 0.59 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 2qto h ALA 29 N 1.21 -0.27 -0.74 0.00 0.00 -1.73 -1.41 119.26 116.32 2qto h ALA 29 Ca 0.11 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.03 2qto h ALA 29 Cb 0.60 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 2qto h ALA 29 CO 0.04 -0.48 0.51 0.78 0.00 0.00 0.00 179.25 180.10 2qto h GLY 30 N -0.61 0.33 1.93 0.00 0.00 -1.63 -0.20 103.07 102.90 2qto h GLY 30 Ca -0.03 -0.08 -0.21 0.00 0.00 0.00 0.00 47.33 47.01 2qto h GLY 30 CO 0.05 0.01 -1.01 0.00 0.00 0.00 0.00 176.54 175.59 2qto h ALA 31 N 1.65 0.36 -0.15 3.60 0.00 -1.33 -3.18 119.26 120.20 2qto h ALA 31 Ca 0.36 -0.88 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2qto h ALA 31 Cb 1.17 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2qto h ALA 31 CO -0.06 1.16 -0.29 0.00 0.00 0.00 0.00 179.25 180.06 2qto h ALA 32 N 0.96 1.23 -0.00 0.00 0.00 0.10 -1.72 119.26 119.82 2qto h ALA 32 Ca -0.03 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2qto h ALA 32 Cb 1.75 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 2qto h ALA 32 CO 0.14 0.51 -0.66 1.79 0.00 0.00 0.00 179.25 181.04 2qto h THR 33 N 0.25 1.47 -0.09 0.00 1.35 -1.46 0.64 112.91 115.08 2qto h THR 33 Ca 0.04 -2.24 -0.10 0.00 -0.55 0.00 0.00 66.41 63.56 2qto h THR 33 Cb 0.65 2.21 -0.01 0.00 -1.73 0.00 0.00 68.15 69.27 2qto h THR 33 CO 0.05 0.64 -0.40 0.58 -0.25 0.00 0.00 175.52 176.13 2qto h VAL 34 N 0.01 1.30 -0.03 6.82 2.07 -1.47 -2.90 116.25 122.05 2qto h VAL 34 Ca -0.01 -1.48 -0.19 0.00 0.82 0.00 0.00 66.70 65.84 2qto h VAL 34 Cb 1.16 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 2qto h VAL 34 CO 0.09 0.44 -0.81 0.25 0.02 0.00 0.00 177.57 177.55 2qto h LEU 35 N 0.16 0.37 -0.57 2.57 6.46 -0.66 -3.17 115.31 120.46 2qto h LEU 35 Ca 0.01 -0.27 -0.07 0.00 -0.12 0.00 0.00 57.88 57.44 2qto h LEU 35 Cb 0.79 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.58 2qto h LEU 35 CO 0.06 1.03 0.10 0.25 -0.62 0.00 0.00 178.44 179.26 2qto h LEU 36 N 0.18 0.90 -0.79 2.25 5.85 -0.78 -2.14 115.31 120.79 2qto h LEU 36 Ca -0.04 -0.26 0.03 0.00 0.84 0.00 0.00 57.88 58.45 2qto h LEU 36 Cb 1.41 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 2qto h LEU 36 CO 0.13 0.93 0.51 0.58 -0.34 0.00 0.00 178.44 180.25 2qto h VAL 37 N 0.84 1.14 -0.11 1.05 2.07 -1.58 -1.17 116.25 118.49 2qto h VAL 37 Ca 0.17 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.39 2qto h VAL 37 Cb 0.41 0.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 2qto h VAL 37 CO 0.01 0.18 -0.13 0.40 0.02 0.00 0.00 177.57 178.06 2qto h ILE 38 N 1.01 0.65 -0.72 4.57 2.04 -1.45 -2.22 117.51 121.40 2qto h ILE 38 Ca 0.31 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.14 2qto h ILE 38 Cb -0.02 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 2qto h ILE 38 CO -0.10 0.00 0.34 0.58 0.00 0.00 0.00 178.15 178.97 2qto h VAL 39 N -0.16 1.23 0.83 1.67 2.07 -0.99 -1.10 116.25 119.80 2qto h VAL 39 Ca 0.08 -0.65 -0.04 0.00 0.82 0.00 0.00 66.70 66.91 2qto h VAL 39 Cb 0.28 0.32 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2qto h VAL 39 CO -0.21 0.27 -0.40 -0.07 0.02 0.00 0.00 177.57 177.19 2qto h LEU 40 N 1.02 -0.95 -0.70 2.57 3.38 -1.01 0.35 115.31 119.97 2qto h LEU 40 Ca 0.25 0.03 0.02 0.00 0.09 0.00 0.00 57.88 58.27 2qto h LEU 40 Cb 0.11 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2qto h LEU 40 CO -0.03 -0.66 0.44 -0.07 0.09 0.00 0.00 178.44 178.21 2qto h LEU 41 N -1.14 0.74 -0.52 1.67 3.38 -1.32 0.28 115.31 118.40 2qto h LEU 41 Ca -0.11 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2qto h LEU 41 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2qto h LEU 41 CO 0.19 0.52 -0.21 0.00 0.09 0.00 0.00 178.44 179.03 2qto h ALA 42 N 1.29 0.71 -0.26 1.53 0.00 -1.21 -2.15 119.26 119.18 2qto h ALA 42 Ca 0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 2qto h ALA 42 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2qto h ALA 42 CO -0.09 0.67 -0.08 0.78 0.00 0.00 0.00 179.25 180.53 2qto h GLY 43 N 0.89 0.56 0.58 0.00 0.00 0.17 -1.28 103.07 103.99 2qto h GLY 43 Ca 0.11 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 47.00 2qto h GLY 43 CO 0.06 0.43 -0.15 1.76 0.00 0.00 0.00 176.54 178.65 2qto h SER 44 N 0.26 -0.44 1.39 0.19 0.02 -0.45 0.14 113.55 114.66 2qto h SER 44 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2qto h SER 44 Cb 0.57 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2qto h SER 44 CO 0.03 -0.20 0.00 1.88 -1.14 0.00 0.00 176.83 177.40 2qto h TYR 45 N -0.22 0.00 0.10 3.45 -1.99 -1.40 -2.62 116.97 114.29 2qto h TYR 45 Ca 0.06 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 60.48 2qto h TYR 45 Cb 0.31 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.03 2qto h TYR 45 CO -0.22 0.00 -1.67 1.25 -0.00 0.00 0.00 178.16 177.51 2qto h LEU 46 N 0.00 0.35 -0.92 3.88 5.85 -0.98 -3.35 115.31 120.14 2qto h LEU 46 Ca 0.00 -0.57 -0.08 0.00 0.84 0.00 0.00 57.88 58.08 2qto h LEU 46 Cb 0.69 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2qto h LEU 46 CO 0.00 1.49 -0.03 0.00 -0.34 0.00 0.00 178.44 179.56 2qto h ALA 47 N 0.46 1.10 0.62 1.25 0.00 -0.55 -2.78 119.26 119.36 2qto h ALA 47 Ca -0.29 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2qto h ALA 47 Cb 2.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 2qto h ALA 47 CO 0.13 0.57 -0.36 0.28 0.00 0.00 0.00 179.25 179.87 2qto h VAL 48 N 0.71 0.26 0.00 0.00 2.07 -1.63 -1.93 116.25 115.72 2qto h VAL 48 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 2qto h VAL 48 Cb 0.47 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 2qto h VAL 48 CO 0.02 0.00 0.00 0.17 0.02 0.00 0.00 177.57 177.78 2qto h LEU 49 N -0.92 0.00 0.08 2.57 8.10 -1.68 0.16 115.31 123.61 2qto h LEU 49 Ca -0.08 0.00 -0.25 0.00 0.11 0.00 0.00 57.88 57.66 2qto h LEU 49 Cb 0.74 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.95 2qto h LEU 49 CO 0.09 0.00 -1.17 0.00 -4.11 0.00 0.00 178.44 173.25 2qto h ALA 50 N 2.03 0.19 0.00 0.17 0.00 -1.22 -3.40 119.26 117.03 2qto h ALA 50 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 54.91 53.78 2qto h ALA 50 Cb 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2qto h ALA 50 CO 0.00 1.08 -1.92 0.39 0.00 0.00 0.00 179.25 178.80 2qto n GLU 51 N -3.46 1.63 -0.33 0.00 -0.58 -0.62 -4.70 120.64 112.58 2qto n GLU 51 Ca -0.06 -0.02 0.16 0.00 -0.42 0.00 0.00 57.16 56.82 2qto n GLU 51 Cb 1.00 -1.35 0.36 0.00 -0.57 0.00 0.00 31.44 30.87 2qto n GLU 51 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2qto h ARG 52 N 0.00 0.49 -0.57 3.49 2.43 -0.83 -1.52 114.38 117.87 2qto h ARG 52 Ca -0.34 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 2qto h ARG 52 Cb 1.74 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 31.18 2qto h ARG 52 CO 0.02 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 2qto n GLY 53 N -1.32 1.72 3.77 2.80 0.00 -1.26 -4.94 105.19 105.97 2qto n GLY 53 Ca 0.25 -0.57 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2qto n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qto s ALA 54 N -1.60 3.53 -0.70 4.61 0.00 -0.57 -5.02 121.76 122.01 2qto s ALA 54 Ca 0.35 -1.59 -0.06 0.00 0.00 0.00 0.00 51.96 50.65 2qto s ALA 54 Cb 0.21 -1.05 -0.06 0.00 0.00 0.00 0.00 23.12 22.22 2qto s ALA 54 CO 0.19 0.16 1.85 -2.30 0.00 0.00 0.00 175.76 175.67 2qto n PRO 55 N -1.15 1.56 -3.91 0.00 -0.02 -1.26 -4.90 135.00 125.32 2qto n PRO 55 Ca -0.05 -1.28 -0.09 0.00 -2.02 0.00 0.00 63.50 60.05 2qto n PRO 55 Cb 0.59 -2.40 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 2qto n PRO 55 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2qto s GLY 56 N 3.94 0.34 1.02 -1.23 0.00 -1.26 -5.07 107.32 105.06 2qto s GLY 56 Ca 0.33 -0.76 -0.19 0.00 0.00 0.00 0.00 44.72 44.10 2qto s GLY 56 CO -0.01 -0.78 -0.46 0.00 0.00 0.00 0.00 173.10 171.85 2qto n ALA 57 N -0.19 -4.50 0.14 3.20 0.00 -1.26 -4.67 120.51 113.23 2qto n ALA 57 Ca -0.09 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2qto n ALA 57 Cb 0.63 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2qto n ALA 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2qto n GLN 58 N 0.29 0.14 -0.69 0.00 7.27 -1.26 -4.28 117.38 118.84 2qto n GLN 58 Ca 0.01 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.92 2qto n GLN 58 Cb 0.61 -1.13 -0.05 0.00 2.41 0.00 0.00 30.24 32.08 2qto n GLN 58 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2qto n LEU 59 N 0.52 4.29 0.00 1.69 4.77 -1.26 -3.32 117.00 123.68 2qto n LEU 59 Ca 0.00 -2.60 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 2qto n LEU 59 Cb 0.04 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.13 2qto n LEU 59 CO 0.00 0.74 -0.04 2.30 -1.33 0.00 0.00 177.39 179.06 2qto n ILE 60 N 3.56 0.00 -4.34 -0.08 -5.35 -1.26 -3.81 119.36 108.08 2qto n ILE 60 Ca 0.38 -0.20 -0.25 0.00 -0.27 0.00 0.00 62.75 62.40 2qto n ILE 60 Cb 0.30 0.89 -0.12 0.00 -1.74 0.00 0.00 39.64 38.97 2qto n ILE 60 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2qto s THR 61 N -0.55 1.94 0.04 7.28 -4.23 -1.21 -4.92 115.64 113.99 2qto s THR 61 Ca 0.00 -1.74 -0.26 0.00 -1.18 0.00 0.00 61.69 58.51 2qto s THR 61 Cb 0.00 -1.79 -0.17 0.00 1.34 0.00 0.00 72.50 71.88 2qto s THR 61 CO 0.00 -0.10 1.44 1.88 -0.54 0.00 0.00 174.62 177.31 2qto h TYR 62 N 3.72 -0.29 0.00 3.99 0.05 -1.92 -2.59 116.97 119.94 2qto h TYR 62 Ca -0.46 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.31 2qto h TYR 62 Cb 1.19 0.09 0.00 0.00 1.01 0.00 0.00 36.73 39.02 2qto h TYR 62 CO 0.64 -0.02 0.04 -2.30 -1.05 0.00 0.00 178.16 175.46 2qto n PRO 63 N -5.13 0.00 -0.07 4.88 -0.02 -1.26 -0.08 135.00 133.32 2qto n PRO 63 Ca -0.09 0.29 -0.06 0.00 -2.02 0.00 0.00 63.50 61.62 2qto n PRO 63 Cb 0.21 -1.54 -0.12 0.00 -0.02 0.00 0.00 33.50 32.04 2qto n PRO 63 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qto n ARG 64 N -1.27 1.52 0.06 -0.52 3.00 -1.18 -4.16 116.66 114.11 2qto n ARG 64 Ca 0.00 -0.02 -0.05 0.00 -0.01 0.00 0.00 57.85 57.77 2qto n ARG 64 Cb 0.04 -1.37 0.15 0.00 0.00 0.00 0.00 32.46 31.27 2qto n ARG 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qto h ALA 65 N 0.78 0.93 -0.38 7.54 0.00 -0.08 -1.61 119.26 126.44 2qto h ALA 65 Ca -0.36 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 2qto h ALA 65 Cb 1.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2qto h ALA 65 CO 0.02 0.65 0.21 -0.07 0.00 0.00 0.00 179.25 180.06 2qto h LEU 66 N 0.27 0.48 -1.27 0.00 3.38 -1.45 -0.84 115.31 115.88 2qto h LEU 66 Ca 0.01 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qto h LEU 66 Cb 0.95 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 2qto h LEU 66 CO 0.08 0.43 -0.09 -0.25 0.09 0.00 0.00 178.44 178.70 2qto h TRP 67 N 0.49 0.40 -0.43 1.13 2.91 -1.70 -2.71 115.95 116.05 2qto h TRP 67 Ca 0.13 -0.05 -0.15 0.00 1.13 0.00 0.00 58.89 59.96 2qto h TRP 67 Cb 0.06 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 2qto h TRP 67 CO -0.02 0.48 -0.30 2.35 -1.03 0.00 0.00 178.44 179.91 2qto h TRP 68 N 0.37 1.12 0.14 2.65 7.01 -0.85 -1.88 115.95 124.50 2qto h TRP 68 Ca 0.07 -0.30 0.01 0.00 2.11 0.00 0.00 58.89 60.78 2qto h TRP 68 Cb 0.39 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.18 2qto h TRP 68 CO 0.01 1.13 -0.20 0.77 -2.79 0.00 0.00 178.44 177.35 2qto h SER 69 N 0.80 -0.56 -0.45 2.65 0.02 -0.90 0.26 113.55 115.36 2qto h SER 69 Ca 0.08 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2qto h SER 69 Cb 0.89 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2qto h SER 69 CO 0.08 -0.29 0.27 0.58 -1.14 0.00 0.00 176.83 176.33 2qto h VAL 70 N -0.40 1.06 -0.98 2.27 2.07 -1.48 0.48 116.25 119.27 2qto h VAL 70 Ca 0.02 -0.19 0.14 0.00 0.82 0.00 0.00 66.70 67.49 2qto h VAL 70 Cb 0.41 0.46 -0.09 0.00 -1.52 0.00 0.00 31.29 30.55 2qto h VAL 70 CO -0.09 0.10 0.62 -0.08 0.02 0.00 0.00 177.57 178.13 2qto h GLU 71 N 0.55 0.86 0.15 1.57 4.81 -1.07 -2.44 114.58 119.02 2qto h GLU 71 Ca 0.18 -0.05 -0.35 0.00 -0.13 0.00 0.00 59.36 59.00 2qto h GLU 71 Cb 0.00 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2qto h GLU 71 CO -0.08 0.57 -1.85 1.15 -0.73 0.00 0.00 179.01 178.07 2qto h THR 72 N 0.89 0.79 -0.10 0.32 2.02 0.08 -1.22 112.91 115.68 2qto h THR 72 Ca 0.50 -2.42 -0.09 0.00 0.77 0.00 0.00 66.41 65.18 2qto h THR 72 Cb 0.62 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.65 2qto h THR 72 CO -0.27 0.87 -0.34 0.00 0.37 0.00 0.00 175.52 176.15 2qto h ALA 73 N 0.08 1.24 0.00 6.16 0.00 -0.04 -0.49 119.26 126.20 2qto h ALA 73 Ca -0.38 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.17 2qto h ALA 73 Cb 2.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 2qto h ALA 73 CO 0.12 0.52 0.00 1.15 0.00 0.00 0.00 179.25 181.04 2qto h THR 74 N 0.18 0.00 -4.00 0.00 2.02 -1.58 -3.35 112.91 106.17 2qto h THR 74 Ca 0.02 -0.70 -0.40 0.00 0.77 0.00 0.00 66.41 66.10 2qto h THR 74 Cb 0.69 1.68 0.04 0.00 -1.74 0.00 0.00 68.15 68.82 2qto h THR 74 CO 0.05 0.00 -0.58 0.35 0.37 0.00 0.00 175.52 175.71 2qto n THR 75 N -2.98 -1.72 -0.03 3.16 -2.24 -0.19 -4.93 114.28 105.34 2qto n THR 75 Ca 0.03 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.66 2qto n THR 75 Cb 0.41 -3.32 -0.11 0.00 -2.10 0.00 0.00 70.33 65.20 2qto n THR 75 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2qto h VAL 76 N -1.02 1.51 -5.89 2.28 2.07 -1.50 -3.49 116.25 110.20 2qto h VAL 76 Ca -0.51 -1.78 -0.19 0.00 0.82 0.00 0.00 66.70 65.04 2qto h VAL 76 Cb 1.36 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.72 2qto h VAL 76 CO 0.57 0.49 -0.57 0.61 0.02 0.00 0.00 177.57 178.69 2qto n GLY 77 N 0.85 -1.08 0.08 2.17 0.00 -0.72 -4.93 105.19 101.56 2qto n GLY 77 Ca -0.09 0.77 -0.11 0.00 0.00 0.00 0.00 46.02 46.58 2qto n GLY 77 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2qto h TYR 78 N 0.80 0.13 0.00 1.61 0.05 -1.90 -3.48 116.97 114.17 2qto h TYR 78 Ca -0.25 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.52 2qto h TYR 78 Cb 1.17 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.87 2qto h TYR 78 CO 0.16 0.16 0.00 0.41 -1.05 0.00 0.00 178.16 177.84 2qto n GLY 79 N -0.89 1.02 0.20 3.88 0.00 -1.26 -4.97 105.19 103.17 2qto n GLY 79 Ca -0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.11 2qto n GLY 79 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2qto h ASP 80 N 0.00 0.00 -4.37 1.61 2.03 -2.03 -3.43 116.42 110.22 2qto h ASP 80 Ca 0.00 0.00 -0.10 0.00 -0.73 0.00 0.00 57.03 56.20 2qto h ASP 80 Cb 0.00 0.00 -0.22 0.00 -0.83 0.00 0.00 39.33 38.28 2qto h ASP 80 CO 0.00 0.00 -0.15 -0.76 -1.03 0.00 0.00 179.24 177.30 2qto s LEU 81 N -5.12 0.28 -0.13 0.15 1.43 -1.26 -4.80 118.68 109.24 2qto s LEU 81 Ca 0.01 0.66 -0.33 0.00 -1.03 0.00 0.00 54.13 53.43 2qto s LEU 81 Cb 0.09 1.63 0.13 0.00 0.03 0.00 0.00 46.19 48.07 2qto s LEU 81 CO 0.38 -0.31 1.22 -0.72 0.23 0.00 0.00 176.35 177.16 2qto s TYR 82 N -0.41 -0.11 0.41 0.29 1.13 -1.26 -4.90 117.35 112.50 2qto s TYR 82 Ca -0.05 0.04 -0.17 0.00 -1.41 0.00 0.00 57.07 55.47 2qto s TYR 82 Cb -0.03 0.53 -0.09 0.00 -1.10 0.00 0.00 41.96 41.26 2qto s TYR 82 CO 0.03 -0.25 0.86 -1.25 -2.51 0.00 0.00 175.55 172.44 2qto s PRO 83 N -2.46 4.03 0.00 -3.49 0.04 -1.26 -4.56 135.00 127.31 2qto s PRO 83 Ca 0.11 0.85 0.00 0.00 0.04 0.00 0.00 61.00 61.99 2qto s PRO 83 Cb 0.01 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2qto s PRO 83 CO -0.04 -0.02 0.13 0.28 0.04 0.00 0.00 177.00 177.38 2qto n VAL 84 N -0.85 0.00 -3.25 -0.36 0.31 -1.26 -4.86 118.33 108.06 2qto n VAL 84 Ca 0.05 -0.41 -0.32 0.00 -0.01 0.00 0.00 64.34 63.66 2qto n VAL 84 Cb 0.54 1.06 -0.05 0.00 -0.91 0.00 0.00 33.84 34.47 2qto n VAL 84 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2qto s THR 85 N -0.55 4.82 0.15 2.52 2.01 -1.26 -5.00 115.64 118.32 2qto s THR 85 Ca 0.00 0.67 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 2qto s THR 85 Cb 0.00 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2qto s THR 85 CO 0.00 -0.16 1.79 0.25 -0.69 0.00 0.00 174.62 175.80 2qto h LEU 86 N 2.28 0.46 -0.18 4.42 5.85 -1.96 -0.14 115.31 126.05 2qto h LEU 86 Ca -0.47 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 2qto h LEU 86 Cb 1.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 2qto h LEU 86 CO 0.67 0.37 0.03 -0.50 -0.34 0.00 0.00 178.44 178.67 2qto h TRP 87 N 0.52 0.31 -0.05 1.25 -0.00 -1.95 -1.99 115.95 114.04 2qto h TRP 87 Ca 0.14 -0.04 0.02 0.00 -0.00 0.00 0.00 58.89 59.00 2qto h TRP 87 Cb -0.02 -0.09 -0.00 0.00 -0.00 0.00 0.00 29.16 29.06 2qto h TRP 87 CO -0.04 0.44 0.05 0.78 -0.00 0.00 0.00 178.44 179.67 2qto h GLY 88 N 0.09 0.00 1.95 1.49 0.00 -1.81 -1.40 103.07 103.38 2qto h GLY 88 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 2qto h GLY 88 CO 0.00 0.00 -0.47 3.21 0.00 0.00 0.00 176.54 179.28 2qto h ARG 89 N 0.00 0.00 0.54 4.80 3.08 -0.73 -2.81 114.38 119.26 2qto h ARG 89 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 2qto h ARG 89 Cb 0.12 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.17 2qto h ARG 89 CO -0.00 0.42 -0.26 0.00 -1.07 0.00 0.00 179.97 179.06 2qto h VAL 91 N -1.06 0.03 0.06 0.00 2.07 -1.48 -1.05 116.25 114.81 2qto h VAL 91 Ca -0.07 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.45 2qto h VAL 91 Cb 0.62 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 2qto h VAL 91 CO 0.12 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 177.35 2qto h ALA 92 N 1.98 -0.85 -0.82 1.67 0.00 -1.42 -1.52 119.26 118.30 2qto h ALA 92 Ca 0.65 -0.07 0.16 0.00 0.00 0.00 0.00 54.91 55.65 2qto h ALA 92 Cb 1.42 0.78 -0.16 0.00 0.00 0.00 0.00 17.79 19.84 2qto h ALA 92 CO -0.88 -0.94 -0.22 0.28 0.00 0.00 0.00 179.25 177.49 2qto h VAL 93 N -0.50 0.17 0.15 0.00 2.07 -1.03 0.35 116.25 117.45 2qto h VAL 93 Ca -0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2qto h VAL 93 Cb 0.52 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 2qto h VAL 93 CO -0.21 0.00 -0.32 0.58 0.02 0.00 0.00 177.57 177.63 2qto h VAL 94 N -0.01 0.32 -0.03 2.57 2.07 -1.09 -0.60 116.25 119.49 2qto h VAL 94 Ca 0.39 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.87 2qto h VAL 94 Cb 0.60 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2qto h VAL 94 CO -0.85 0.00 -0.18 -0.37 0.02 0.00 0.00 177.57 176.19 2qto h VAL 95 N -0.56 1.15 0.78 2.57 -1.51 -0.06 -1.06 116.25 117.54 2qto h VAL 95 Ca 0.02 -0.69 -0.04 0.00 -1.23 0.00 0.00 66.70 64.76 2qto h VAL 95 Cb 0.58 1.34 0.01 0.00 -2.13 0.00 0.00 31.29 31.09 2qto h VAL 95 CO -0.17 0.20 -0.38 0.24 -1.23 0.00 0.00 177.57 176.23 2qto h MET 96 N 0.04 -1.01 -0.23 5.19 2.07 0.28 -2.65 114.93 118.62 2qto h MET 96 Ca 0.01 0.07 -0.07 0.00 -2.07 0.00 0.00 59.70 57.63 2qto h MET 96 Cb 0.35 0.23 -0.01 0.00 -1.87 0.00 0.00 31.60 30.30 2qto h MET 96 CO 0.02 -0.67 -0.17 -0.39 1.07 0.00 0.00 176.91 176.78 2qto h VAL 97 N -1.05 1.23 -0.97 -2.22 -1.51 -1.04 -1.83 116.25 108.87 2qto h VAL 97 Ca -0.11 -1.03 0.11 0.00 -1.23 0.00 0.00 66.70 64.44 2qto h VAL 97 Cb 0.80 1.23 -0.08 0.00 -2.13 0.00 0.00 31.29 31.12 2qto h VAL 97 CO 0.17 0.33 0.60 0.00 -1.23 0.00 0.00 177.57 177.44 2qto h ALA 98 N 1.46 1.44 0.22 5.19 0.00 -1.24 0.27 119.26 126.61 2qto h ALA 98 Ca 0.07 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qto h ALA 98 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qto h ALA 98 CO 0.03 0.22 -0.11 0.78 0.00 0.00 0.00 179.25 180.18 2qto h GLY 99 N 0.97 -0.31 0.38 0.00 0.00 -1.02 -2.41 103.07 100.67 2qto h GLY 99 Ca 0.47 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.94 2qto h GLY 99 CO -0.25 -0.11 -0.35 -2.22 0.00 0.00 0.00 176.54 173.60 2qto h ILE 100 N -0.81 0.27 0.44 2.60 2.04 -1.00 -0.77 117.51 120.28 2qto h ILE 100 Ca -0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2qto h ILE 100 Cb 0.51 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2qto h ILE 100 CO 0.05 0.00 -0.26 0.74 0.00 0.00 0.00 178.15 178.68 2qto h THR 101 N -0.57 0.47 -0.07 -0.27 2.02 -0.59 -0.43 112.91 113.47 2qto h THR 101 Ca 0.03 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.15 2qto h THR 101 Cb 0.61 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 2qto h THR 101 CO -0.21 0.00 -0.25 0.77 0.37 0.00 0.00 175.52 176.20 2qto h SER 102 N -0.65 0.12 1.24 4.18 4.64 -1.38 0.34 113.55 122.04 2qto h SER 102 Ca -0.05 -0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.21 2qto h SER 102 Cb 0.53 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2qto h SER 102 CO 0.06 0.38 -0.11 -0.26 -0.87 0.00 0.00 176.83 176.02 2qto h PHE 103 N 0.11 0.00 -0.17 4.77 0.04 -1.00 -3.10 116.94 117.60 2qto h PHE 103 Ca 0.02 0.00 -0.15 0.00 2.80 0.00 0.00 57.97 60.64 2qto h PHE 103 Cb 0.51 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.66 2qto h PHE 103 CO 0.00 0.11 -0.47 0.78 -0.60 0.00 0.00 178.31 178.14 2qto h GLY 104 N 2.60 0.68 0.44 -1.45 0.00 0.78 -3.03 103.07 103.08 2qto h GLY 104 Ca -0.00 -0.86 0.11 0.00 0.00 0.00 0.00 47.33 46.58 2qto h GLY 104 CO 0.01 0.77 0.49 1.41 0.00 0.00 0.00 176.54 179.23 2qto h LEU 105 N 0.28 0.69 -0.99 3.11 4.07 -1.21 0.66 115.31 121.93 2qto h LEU 105 Ca -0.01 0.06 -0.10 0.00 0.08 0.00 0.00 57.88 57.91 2qto h LEU 105 Cb 1.09 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.75 2qto h LEU 105 CO 0.10 0.36 -0.30 0.58 -1.08 0.00 0.00 178.44 178.10 2qto h VAL 106 N 0.79 1.27 -0.31 1.22 2.07 -1.54 0.45 116.25 120.20 2qto h VAL 106 Ca 0.43 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2qto h VAL 106 Cb 0.46 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2qto h VAL 106 CO -0.28 0.41 -0.02 0.74 0.02 0.00 0.00 177.57 178.43 2qto h THR 107 N 0.31 1.26 -0.76 2.57 2.02 -1.24 -2.75 112.91 114.33 2qto h THR 107 Ca 0.04 -1.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.22 2qto h THR 107 Cb 0.70 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 68.37 2qto h THR 107 CO 0.05 0.32 0.44 0.00 0.37 0.00 0.00 175.52 176.71 2qto h ALA 108 N 0.83 0.96 -0.38 6.16 0.00 -0.22 -0.27 119.26 126.34 2qto h ALA 108 Ca 0.09 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.93 2qto h ALA 108 Cb 0.47 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 2qto h ALA 108 CO 0.02 0.45 0.18 0.00 0.00 0.00 0.00 179.25 179.89 2qto h ALA 109 N 1.23 0.46 0.00 0.00 0.00 -0.14 -2.32 119.26 118.50 2qto h ALA 109 Ca 0.27 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 2qto h ALA 109 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qto h ALA 109 CO -0.05 -0.19 -0.49 -0.07 0.00 0.00 0.00 179.25 178.45 2qto h LEU 110 N 0.37 0.00 -0.96 0.00 3.38 -1.20 -2.37 115.31 114.53 2qto h LEU 110 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 2qto h LEU 110 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2qto h LEU 110 CO -0.13 0.49 -0.37 0.00 0.09 0.00 0.00 178.44 178.53 2qto h ALA 111 N 1.51 1.12 0.00 1.53 0.00 -0.61 -1.94 119.26 120.86 2qto h ALA 111 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2qto h ALA 111 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2qto h ALA 111 CO 0.06 0.57 -1.16 1.79 0.00 0.00 0.00 179.25 180.51 2qto h THR 112 N 0.24 0.53 -0.24 0.00 1.35 -1.35 -2.12 112.91 111.32 2qto h THR 112 Ca 0.03 -1.94 -0.08 0.00 -0.55 0.00 0.00 66.41 63.87 2qto h THR 112 Cb 0.77 2.07 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 2qto h THR 112 CO 0.06 0.30 -0.19 -0.25 -0.25 0.00 0.00 175.52 175.19 2qto h TRP 113 N 0.00 0.47 0.07 4.73 7.01 -1.31 0.81 115.95 127.74 2qto h TRP 113 Ca -0.11 -0.08 -0.24 0.00 2.11 0.00 0.00 58.89 60.56 2qto h TRP 113 Cb 1.48 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 2qto h TRP 113 CO 0.00 0.61 -1.10 0.74 -2.79 0.00 0.00 178.44 175.90 2qto h PHE 114 N 0.39 0.37 -0.12 2.65 0.04 -1.40 -3.23 116.94 115.65 2qto h PHE 114 Ca 0.07 -0.25 -0.14 0.00 2.80 0.00 0.00 57.97 60.44 2qto h PHE 114 Cb 0.57 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.68 2qto h PHE 114 CO 0.02 1.16 -0.54 0.28 -0.60 0.00 0.00 178.31 178.62 2qto h VAL 115 N 0.08 1.35 0.00 -0.55 2.07 -1.12 -3.07 116.25 115.01 2qto h VAL 115 Ca -0.09 -1.83 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2qto h VAL 115 Cb 1.81 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2qto h VAL 115 CO 0.17 0.55 0.00 0.61 0.02 0.00 0.00 177.57 178.92 2qto n GLY 116 N 0.17 0.50 2.47 2.17 0.00 0.28 -2.84 105.19 107.94 2qto n GLY 116 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2qto n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qto n ARG 117 N 0.17 1.92 0.04 1.61 1.74 -1.16 -4.82 116.66 116.16 2qto n ARG 117 Ca 0.00 -4.05 0.11 0.00 -0.77 0.00 0.00 57.85 53.14 2qto n ARG 117 Cb 0.09 -1.88 -0.01 0.00 -1.02 0.00 0.00 32.46 29.64 2qto n ARG 117 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2qto n GLU 118 N 0.42 0.41 0.00 5.56 0.28 -1.13 -5.07 120.64 121.11 2qto n GLU 118 Ca 0.27 -0.01 0.02 0.00 -0.16 0.00 0.00 57.16 57.29 2qto n GLU 118 Cb 0.51 -1.63 0.14 0.00 1.43 0.00 0.00 31.44 31.89 2qto n GLU 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97