#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s n ASP 63 N 0.00 0.76 0.00 0.00 8.00 -1.26 -5.15 116.55 118.90 3b4s n ASP 63 Ca 0.00 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3b4s n ASP 63 Cb 0.00 -0.26 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 3b4s n ASP 63 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b4s n GLY 64 N 2.47 3.03 0.21 0.44 0.00 -1.26 -4.76 105.19 105.32 3b4s n GLY 64 Ca -0.18 -1.67 -0.02 0.00 0.00 0.00 0.00 46.02 44.15 3b4s n GLY 64 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b4s h ARG 65 N 0.00 0.35 0.07 1.61 2.43 -2.01 -1.89 114.38 114.94 3b4s h ARG 65 Ca 0.00 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3b4s h ARG 65 Cb 0.00 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 3b4s h ARG 65 CO 0.00 0.23 -0.15 0.82 -1.51 0.00 0.00 179.97 179.36 3b4s h ILE 66 N 0.36 0.65 -0.66 1.20 1.08 -2.06 -2.81 117.51 115.28 3b4s h ILE 66 Ca 0.26 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 3b4s h ILE 66 Cb 0.30 0.65 -0.03 0.00 -3.07 0.00 0.00 36.82 34.67 3b4s h ILE 66 CO -0.27 0.00 0.37 0.15 -0.69 0.00 0.00 178.15 177.71 3b4s h PHE 67 N -0.29 0.88 0.00 1.37 3.57 -1.72 -1.09 116.94 119.66 3b4s h PHE 67 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3b4s h PHE 67 Cb 0.31 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.77 3b4s h PHE 67 CO -0.17 0.60 0.00 1.17 -2.23 0.00 0.00 178.31 177.68 3b4s n LYS 68 N -4.39 0.02 0.00 1.11 4.81 -0.76 -1.53 118.16 117.42 3b4s n LYS 68 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 3b4s n LYS 68 Cb 0.09 -1.21 0.00 0.00 0.02 0.00 0.00 35.03 33.93 3b4s n LYS 68 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 3b4s n PHE 70 N 0.70 0.00 -0.47 5.64 -0.00 -0.41 -2.57 117.46 120.34 3b4s n PHE 70 Ca 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 57.45 57.85 3b4s n PHE 70 Cb 0.01 0.00 0.68 0.00 -0.00 0.00 0.00 39.48 40.16 3b4s n PHE 70 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.76 177.58 3b4s h ILE 71 N 0.00 0.05 0.00 -2.13 1.08 -1.55 -1.92 117.51 113.04 3b4s h ILE 71 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.46 3b4s h ILE 71 Cb 0.00 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.76 3b4s h ILE 71 CO 0.00 0.01 0.00 -0.33 -0.69 0.00 0.00 178.15 177.14 3b4s h GLU 72 N 0.03 0.00 -0.12 2.37 5.08 -1.77 0.23 114.58 120.41 3b4s h GLU 72 Ca 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.22 3b4s h GLU 72 Cb 2.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.04 3b4s h GLU 72 CO -0.43 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.30 3b4s n HIS 73 N -2.36 0.15 -4.39 4.33 8.25 -0.72 -4.95 115.22 115.53 3b4s n HIS 73 Ca 0.01 -0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.12 3b4s n HIS 73 Cb 0.17 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.16 3b4s n HIS 73 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b4s s LEU 74 N -1.62 2.54 -0.73 2.41 1.02 0.07 -4.59 118.68 117.78 3b4s s LEU 74 Ca 0.32 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.72 3b4s s LEU 74 Cb 0.17 -1.28 0.20 0.00 0.02 0.00 0.00 46.19 45.31 3b4s s LEU 74 CO 0.26 0.12 0.63 1.21 0.02 0.00 0.00 176.35 178.60 3b4s n GLU 75 N 0.28 2.22 0.02 1.70 4.07 -1.26 -4.91 120.64 122.75 3b4s n GLU 75 Ca -0.13 -4.55 0.08 0.00 -0.06 0.00 0.00 57.16 52.50 3b4s n GLU 75 Cb 0.56 -2.30 0.33 0.00 -0.06 0.00 0.00 31.44 29.96 3b4s n GLU 75 CO 0.00 0.00 0.00 1.19 -0.06 0.00 0.00 177.13 178.26 3b4s n PHE 76 N 1.67 0.13 -0.02 4.31 3.01 -1.26 -3.17 117.46 122.14 3b4s n PHE 76 Ca 0.23 0.05 -0.22 0.00 1.01 0.00 0.00 57.45 58.53 3b4s n PHE 76 Cb 0.37 -0.58 -0.13 0.00 -0.01 0.00 0.00 39.48 39.12 3b4s n PHE 76 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3b4s n GLU 77 N -1.62 0.72 -1.13 -1.08 -0.58 -1.26 -4.82 120.64 110.88 3b4s n GLU 77 Ca 0.03 0.33 -0.10 0.00 -0.42 0.00 0.00 57.16 57.00 3b4s n GLU 77 Cb 0.17 -1.72 0.06 0.00 -0.57 0.00 0.00 31.44 29.38 3b4s n GLU 77 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3b4s n LYS 78 N -3.70 -0.02 0.00 3.49 0.00 -1.26 -5.09 118.16 111.59 3b4s n LYS 78 Ca -0.32 -0.97 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 3b4s n LYS 78 Cb 0.97 -0.38 0.00 0.00 -0.00 0.00 0.00 35.03 35.62 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3b4s n GLY 79 N 1.80 -1.66 0.21 2.58 0.00 -1.26 -4.58 105.19 102.28 3b4s n GLY 79 Ca 0.07 -1.55 -0.01 0.00 0.00 0.00 0.00 46.02 44.53 3b4s n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3b4s h LEU 80 N 0.00 -0.10 -0.30 0.99 6.46 -1.95 -1.11 115.31 119.30 3b4s h LEU 80 Ca 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 57.88 3b4s h LEU 80 Cb 0.00 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 3b4s h LEU 80 CO 0.00 -0.03 0.19 0.44 -0.62 0.00 0.00 178.44 178.42 3b4s h ASP 81 N 0.19 0.35 -0.40 1.25 5.19 -1.96 0.81 116.42 121.85 3b4s h ASP 81 Ca 0.28 -0.02 0.08 0.00 -0.62 0.00 0.00 57.03 56.75 3b4s h ASP 81 Cb 0.42 -0.09 -0.09 0.00 0.18 0.00 0.00 39.33 39.75 3b4s h ASP 81 CO -0.41 0.27 -0.27 0.00 -3.12 0.00 0.00 179.24 175.71 3b4s h ALA 82 N 1.10 -0.06 0.08 3.45 0.00 -1.78 0.24 119.26 122.29 3b4s h ALA 82 Ca 0.11 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.15 3b4s h ALA 82 Cb -0.03 0.61 -0.04 0.00 0.00 0.00 0.00 17.79 18.33 3b4s h ALA 82 CO -0.02 -0.66 -0.40 0.35 0.00 0.00 0.00 179.25 178.52 3b4s h PHE 83 N -0.20 -1.17 -0.72 0.00 3.04 0.16 -0.05 116.94 118.00 3b4s h PHE 83 Ca 0.18 0.03 0.14 0.00 3.98 0.00 0.00 57.97 62.30 3b4s h PHE 83 Cb 0.50 0.50 -0.14 0.00 2.56 0.00 0.00 35.95 39.37 3b4s h PHE 83 CO -0.49 -0.45 -0.24 1.03 -2.02 0.00 0.00 178.31 176.13 3b4s h SER 84 N -0.56 -0.88 -0.06 0.41 0.87 -0.83 -0.89 113.55 111.61 3b4s h SER 84 Ca -0.00 0.23 0.03 0.00 -1.23 0.00 0.00 61.79 60.82 3b4s h SER 84 Cb 0.57 0.52 -0.06 0.00 -0.44 0.00 0.00 62.40 62.99 3b4s h SER 84 CO -0.22 -0.27 -0.48 1.56 -0.53 0.00 0.00 176.83 176.89 3b4s h GLN 85 N -0.05 -0.56 -0.92 2.24 1.08 -0.01 -2.11 115.11 114.77 3b4s h GLN 85 Ca 0.32 0.04 0.15 0.00 -1.45 0.00 0.00 58.65 57.71 3b4s h GLN 85 Cb 0.55 0.13 -0.15 0.00 -0.05 0.00 0.00 27.48 27.96 3b4s h GLN 85 CO -0.76 -0.38 -0.34 0.45 -0.95 0.00 0.00 178.83 176.85 3b4s n SER 86 N -5.45 -0.57 0.00 1.46 2.88 -0.08 -0.99 113.62 110.88 3b4s n SER 86 Ca -0.06 1.60 0.00 0.00 -1.33 0.00 0.00 58.87 59.08 3b4s n SER 86 Cb 0.38 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3b4s n SER 86 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 3b4s n TRP 87 N -5.37 0.00 -0.20 0.66 -0.00 -0.39 -1.92 117.44 110.22 3b4s n TRP 87 Ca 0.10 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.72 3b4s n TRP 87 Cb 0.38 -0.32 0.23 0.00 -0.00 0.00 0.00 31.31 31.60 3b4s n TRP 87 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 3b4s n ILE 88 N -1.45 -0.25 -0.07 5.87 5.41 -0.85 0.19 119.36 128.21 3b4s n ILE 88 Ca 0.00 1.28 -0.10 0.00 1.00 0.00 0.00 62.75 64.93 3b4s n ILE 88 Cb 0.00 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 36.97 3b4s n ILE 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 3b4s h LYS 89 N 0.00 0.35 0.00 0.38 1.63 -1.02 -2.74 116.57 115.17 3b4s h LYS 89 Ca 0.41 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.15 3b4s h LYS 89 Cb 0.93 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 3b4s h LYS 89 CO -0.53 0.35 0.00 0.00 -3.45 0.00 0.00 179.45 175.83 3b4s h ALA 90 N 0.98 1.00 0.00 5.00 0.00 0.28 -2.62 119.26 123.90 3b4s h ALA 90 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3b4s h ALA 90 Cb 0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3b4s h ALA 90 CO -0.01 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 179.13 3b4s n LEU 91 N -3.06 0.00 0.00 0.00 7.94 -0.11 -1.53 117.00 120.24 3b4s n LEU 91 Ca -0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.89 3b4s n LEU 91 Cb 0.23 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.18 3b4s n LEU 91 CO 0.25 0.00 0.15 -1.84 -1.11 0.00 0.00 177.39 174.83 3b4s n GLU 92 N -0.87 -0.50 -1.91 1.96 0.28 -0.99 -4.93 120.64 113.68 3b4s n GLU 92 Ca 0.10 -0.29 -0.32 0.00 -0.16 0.00 0.00 57.16 56.49 3b4s n GLU 92 Cb 0.04 -0.79 0.02 0.00 1.43 0.00 0.00 31.44 32.14 3b4s n GLU 92 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 3b4s s ASP 93 N -0.01 5.85 -0.24 -1.84 -1.08 -0.58 -5.03 116.67 113.74 3b4s s ASP 93 Ca 0.00 1.65 0.07 0.00 -0.52 0.00 0.00 52.55 53.75 3b4s s ASP 93 Cb 0.00 -2.51 -0.20 0.00 -1.46 0.00 0.00 42.92 38.76 3b4s s ASP 93 CO 0.00 -1.12 -0.11 -1.20 0.52 0.00 0.00 175.17 173.26 3b4s n SER 94 N -2.45 1.33 -0.12 -0.34 7.64 -1.26 -3.23 113.62 115.20 3b4s n SER 94 Ca 0.08 -0.08 -0.04 0.00 1.01 0.00 0.00 58.87 59.83 3b4s n SER 94 Cb 0.53 0.04 0.03 0.00 -1.01 0.00 0.00 64.21 63.80 3b4s n SER 94 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 3b4s h GLU 95 N 0.00 0.08 0.37 1.43 4.81 -1.95 -1.05 114.58 118.26 3b4s h GLU 95 Ca -0.56 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 3b4s h GLU 95 Cb 2.02 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 3b4s h GLU 95 CO -0.05 0.05 -0.28 0.35 -0.73 0.00 0.00 179.01 178.36 3b4s h PHE 96 N 0.08 -0.74 -0.71 0.92 3.57 -1.83 -1.38 116.94 116.85 3b4s h PHE 96 Ca 0.20 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.85 3b4s h PHE 96 Cb 0.29 0.28 -0.10 0.00 2.79 0.00 0.00 35.95 39.21 3b4s h PHE 96 CO -0.29 -0.42 0.18 -0.07 -2.23 0.00 0.00 178.31 175.49 3b4s h LEU 97 N -0.64 0.05 -0.55 0.59 3.38 -1.50 -0.29 115.31 116.35 3b4s h LEU 97 Ca -0.03 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3b4s h LEU 97 Cb 0.56 0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3b4s h LEU 97 CO -0.00 -0.01 0.35 0.00 0.09 0.00 0.00 178.44 178.87 3b4s h ALA 98 N 1.57 0.70 -0.12 1.53 0.00 -0.69 -1.20 119.26 121.05 3b4s h ALA 98 Ca 0.39 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.06 3b4s h ALA 98 Cb 0.64 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3b4s h ALA 98 CO -0.47 0.16 -0.69 0.82 0.00 0.00 0.00 179.25 179.07 3b4s h ILE 99 N 0.74 1.35 0.02 0.00 2.04 -0.44 -2.39 117.51 118.83 3b4s h ILE 99 Ca 0.20 -2.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.03 3b4s h ILE 99 Cb -0.05 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3b4s h ILE 99 CO -0.04 0.62 -0.01 0.25 0.00 0.00 0.00 178.15 178.97 3b4s h LEU 100 N 0.35 -0.02 -0.64 1.44 6.46 -0.71 0.63 115.31 122.82 3b4s h LEU 100 Ca -0.02 -0.04 0.13 0.00 -0.12 0.00 0.00 57.88 57.83 3b4s h LEU 100 Cb 1.27 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 41.09 3b4s h LEU 100 CO 0.13 0.03 -0.07 -0.09 -0.62 0.00 0.00 178.44 177.81 3b4s h ARG 101 N -0.07 0.05 -0.24 1.25 9.65 -1.13 0.32 114.38 124.23 3b4s h ARG 101 Ca -0.00 -0.00 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 3b4s h ARG 101 Cb 0.06 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.62 3b4s h ARG 101 CO 0.00 0.04 -0.07 -0.07 2.80 0.00 0.00 179.97 182.67 3b4s h LEU 102 N 0.06 0.48 -0.57 3.80 3.38 -0.79 0.19 115.31 121.86 3b4s h LEU 102 Ca 0.32 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3b4s h LEU 102 Cb 0.52 -0.13 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 3b4s h LEU 102 CO -0.60 0.75 -0.12 -0.07 0.09 0.00 0.00 178.44 178.48 3b4s h LEU 103 N 0.21 -0.49 -0.13 1.67 3.38 -0.04 -0.31 115.31 119.59 3b4s h LEU 103 Ca 0.06 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3b4s h LEU 103 Cb 0.55 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3b4s h LEU 103 CO 0.03 -0.18 0.04 -0.26 0.09 0.00 0.00 178.44 178.16 3b4s h PHE 104 N 0.01 0.21 -0.51 1.13 0.04 0.44 -2.47 116.94 115.80 3b4s h PHE 104 Ca 0.28 -0.02 0.10 0.00 2.80 0.00 0.00 57.97 61.13 3b4s h PHE 104 Cb 0.43 -0.06 -0.09 0.00 2.20 0.00 0.00 35.95 38.43 3b4s h PHE 104 CO -0.46 0.33 -0.03 1.25 -0.60 0.00 0.00 178.31 178.80 3b4s h HIS 105 N 0.04 -0.09 -0.81 -0.55 2.76 -0.20 0.28 115.15 116.58 3b4s h HIS 105 Ca 0.04 0.04 0.19 0.00 -2.20 0.00 0.00 60.37 58.45 3b4s h HIS 105 Cb 0.21 0.12 -0.12 0.00 1.55 0.00 0.00 27.41 29.17 3b4s h HIS 105 CO -0.00 -0.15 0.24 1.25 -1.30 0.00 0.00 177.93 177.97 3b4s h HIS 106 N 0.08 0.37 0.00 5.26 -0.00 -0.58 -0.90 115.15 119.39 3b4s h HIS 106 Ca 0.26 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 3b4s h HIS 106 Cb 0.40 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.77 3b4s h HIS 106 CO -0.35 -0.11 -0.95 0.44 -0.00 0.00 0.00 177.93 176.96 3b4s n ILE 107 N -5.15 0.45 0.09 6.26 -5.35 -0.14 -3.34 119.36 112.19 3b4s n ILE 107 Ca 0.18 -0.43 -0.16 0.00 -0.27 0.00 0.00 62.75 62.07 3b4s n ILE 107 Cb 0.56 -0.18 -0.10 0.00 -1.74 0.00 0.00 39.64 38.18 3b4s n ILE 107 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3b4s h VAL 108 N 0.00 1.42 -0.78 7.28 2.07 0.02 -3.33 116.25 122.93 3b4s h VAL 108 Ca 0.00 -2.72 -0.36 0.00 0.82 0.00 0.00 66.70 64.44 3b4s h VAL 108 Cb 0.89 2.71 -0.21 0.00 -1.52 0.00 0.00 31.29 33.16 3b4s h VAL 108 CO 0.00 0.80 0.39 0.35 0.02 0.00 0.00 177.57 179.14 3b4s n THR 109 N -3.66 2.98 -4.08 2.57 -2.24 -0.44 -4.92 114.28 104.48 3b4s n THR 109 Ca -0.09 -2.02 -0.13 0.00 -2.27 0.00 0.00 64.05 59.54 3b4s n THR 109 Cb 0.95 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 3b4s n THR 109 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3b4s s SER 110 N -1.51 0.50 -0.24 3.42 0.01 -1.21 -5.04 113.70 109.62 3b4s s SER 110 Ca 0.54 -1.30 -0.17 0.00 1.31 0.00 0.00 55.95 56.32 3b4s s SER 110 Cb 0.45 0.59 0.07 0.00 0.21 0.00 0.00 66.02 67.34 3b4s s SER 110 CO 0.09 -1.17 0.60 -0.70 0.41 0.00 0.00 173.24 172.47 3b4s s GLU 111 N -3.53 0.65 0.68 12.44 2.12 -1.26 -4.83 118.70 124.97 3b4s s GLU 111 Ca 0.29 0.98 -0.16 0.00 0.36 0.00 0.00 54.97 56.44 3b4s s GLU 111 Cb 0.01 0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.61 3b4s s GLU 111 CO 0.16 -0.12 1.18 -1.54 -0.54 0.00 0.00 175.26 174.40 3b4s s SER 112 N 1.01 4.64 0.11 -1.70 1.04 -1.26 -4.82 113.70 112.71 3b4s s SER 112 Ca -0.05 2.28 -0.23 0.00 0.48 0.00 0.00 55.95 58.42 3b4s s SER 112 Cb -0.05 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.40 3b4s s SER 112 CO -0.09 -1.96 1.70 0.00 0.98 0.00 0.00 173.24 173.87 3b4s h ALA 113 N 0.05 -0.06 -0.77 5.32 0.00 -2.01 -1.90 119.26 119.89 3b4s h ALA 113 Ca -0.48 0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.62 3b4s h ALA 113 Cb 1.28 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 3b4s h ALA 113 CO 0.52 -0.56 0.52 1.25 0.00 0.00 0.00 179.25 180.98 3b4s h HIS 114 N -0.13 0.39 0.43 0.00 -0.00 -2.00 0.22 115.15 114.06 3b4s h HIS 114 Ca 0.04 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.40 3b4s h HIS 114 Cb 0.18 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.48 3b4s h HIS 114 CO -0.16 0.13 -0.20 0.93 -0.00 0.00 0.00 177.93 178.62 3b4s h GLU 115 N 0.32 -0.55 -0.19 5.26 4.39 -1.78 -3.22 114.58 118.81 3b4s h GLU 115 Ca 0.38 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.17 3b4s h GLU 115 Cb 1.03 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 3b4s h GLU 115 CO -0.11 -0.24 -0.14 0.35 -1.16 0.00 0.00 179.01 177.71 3b4s h PHE 116 N -0.90 -0.35 -0.97 4.33 3.57 -0.49 -2.09 116.94 120.04 3b4s h PHE 116 Ca -0.06 0.03 0.21 0.00 3.53 0.00 0.00 57.97 61.68 3b4s h PHE 116 Cb 0.56 0.18 -0.18 0.00 2.79 0.00 0.00 35.95 39.31 3b4s h PHE 116 CO 0.01 -0.21 -0.16 0.00 -2.23 0.00 0.00 178.31 175.72 3b4s h ALA 117 N 0.98 0.78 -0.15 2.41 0.00 -1.08 -0.71 119.26 121.48 3b4s h ALA 117 Ca 0.11 0.36 -0.13 0.00 0.00 0.00 0.00 54.91 55.26 3b4s h ALA 117 Cb 0.31 0.69 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 3b4s h ALA 117 CO -0.27 -0.43 0.09 0.00 0.00 0.00 0.00 179.25 178.63 3b4s n ALA 118 N -3.44 4.64 -1.97 0.00 0.00 -0.79 -4.87 120.51 114.07 3b4s n ALA 118 Ca 0.17 -0.76 -0.30 0.00 0.00 0.00 0.00 53.44 52.56 3b4s n ALA 118 Cb 0.56 -1.28 0.01 0.00 0.00 0.00 0.00 19.45 18.74 3b4s n ALA 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b4s s ASN 119 N 1.44 6.09 0.04 0.00 2.20 -0.28 -4.96 114.94 119.48 3b4s s ASN 119 Ca 0.18 1.22 -0.23 0.00 -0.94 0.00 0.00 52.86 53.09 3b4s s ASN 119 Cb 0.11 -2.29 -0.16 0.00 -2.00 0.00 0.00 41.25 36.91 3b4s s ASN 119 CO -0.01 -0.88 1.51 1.23 -2.94 0.00 0.00 177.10 176.01 3b4s h GLY 120 N -0.24 0.09 0.07 0.45 0.00 -1.90 -2.13 103.07 99.41 3b4s h GLY 120 Ca -0.45 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 46.93 3b4s h GLY 120 CO 0.62 0.06 -0.00 -2.22 0.00 0.00 0.00 176.54 174.99 3b4s h ILE 121 N -0.15 0.55 -0.45 2.60 1.08 -1.98 0.98 117.51 120.14 3b4s h ILE 121 Ca 0.02 -0.04 -0.06 0.00 -0.39 0.00 0.00 64.86 64.39 3b4s h ILE 121 Cb 0.26 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3b4s h ILE 121 CO 0.00 0.02 0.05 -0.78 -0.69 0.00 0.00 178.15 176.75 3b4s h ASP 122 N 0.12 0.74 -0.68 1.72 3.58 -1.90 0.91 116.42 120.90 3b4s h ASP 122 Ca 0.28 -0.28 0.12 0.00 0.42 0.00 0.00 57.03 57.58 3b4s h ASP 122 Cb 0.44 -0.20 -0.09 0.00 1.72 0.00 0.00 39.33 41.21 3b4s h ASP 122 CO -0.47 0.83 0.24 -0.09 -2.88 0.00 0.00 179.24 176.87 3b4s h ARG 123 N 0.62 0.39 0.39 0.28 2.43 -0.50 -1.43 114.38 116.55 3b4s h ARG 123 Ca 0.13 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3b4s h ARG 123 Cb 0.42 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 3b4s h ARG 123 CO 0.01 0.26 -0.19 1.25 -1.51 0.00 0.00 179.97 179.79 3b4s h LEU 124 N 0.40 -0.44 -0.98 3.80 6.46 -0.34 -2.95 115.31 121.25 3b4s h LEU 124 Ca 0.36 -0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.19 3b4s h LEU 124 Cb 0.51 0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.47 3b4s h LEU 124 CO -0.37 -0.23 0.62 0.22 -0.62 0.00 0.00 178.44 178.05 3b4s h TYR 125 N -0.63 1.12 0.00 1.25 3.20 -0.44 -1.29 116.97 120.17 3b4s h TYR 125 Ca -0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.85 3b4s h TYR 125 Cb 0.46 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3b4s h TYR 125 CO -0.02 0.46 0.00 1.63 -1.64 0.00 0.00 178.16 178.58 3b4s n LYS 126 N -4.62 0.13 0.00 1.82 4.76 -0.58 -1.81 118.16 117.87 3b4s n LYS 126 Ca 0.18 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.62 3b4s n LYS 126 Cb 0.33 -1.26 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 3b4s n LYS 126 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3b4s n VAL 128 N 0.70 0.00 0.08 -0.18 0.31 -0.49 -0.80 118.33 117.95 3b4s n VAL 128 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.37 3b4s n VAL 128 Cb 0.05 0.00 0.45 0.00 -0.91 0.00 0.00 33.84 33.43 3b4s n VAL 128 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3b4s h GLU 129 N 0.00 0.35 -0.74 5.55 4.81 -1.57 0.38 114.58 123.37 3b4s h GLU 129 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 3b4s h GLU 129 Cb 0.00 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 3b4s h GLU 129 CO 0.00 0.31 0.26 1.03 -0.73 0.00 0.00 179.01 179.88 3b4s h SER 130 N 0.36 1.04 0.34 1.04 0.87 -1.22 0.44 113.55 116.42 3b4s h SER 130 Ca 0.09 -0.17 -0.32 0.00 -1.23 0.00 0.00 61.79 60.16 3b4s h SER 130 Cb 0.09 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.74 3b4s h SER 130 CO -0.01 0.94 -1.88 1.67 -0.53 0.00 0.00 176.83 177.02 3b4s n GLN 131 N -4.27 0.66 0.00 2.24 -0.06 -0.77 -4.66 117.38 110.53 3b4s n GLN 131 Ca 0.06 0.25 0.00 0.00 -2.00 0.00 0.00 57.00 55.31 3b4s n GLN 131 Cb 0.20 -1.73 0.00 0.00 -4.06 0.00 0.00 30.24 24.65 3b4s n GLN 131 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3b4s n PHE 132 N -3.10 0.00 -4.27 3.69 3.72 0.13 -5.07 117.46 112.56 3b4s n PHE 132 Ca -0.23 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.17 3b4s n PHE 132 Cb 1.06 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 3b4s n PHE 132 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3b4s n GLY 133 N 0.46 -1.31 0.18 1.37 0.00 0.15 -2.27 105.19 103.77 3b4s n GLY 133 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 3b4s n GLY 133 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3b4s h SER 134 N 0.00 0.08 -0.88 1.61 4.64 -1.94 -0.12 113.55 116.95 3b4s h SER 134 Ca 0.00 -0.03 0.16 0.00 -0.47 0.00 0.00 61.79 61.45 3b4s h SER 134 Cb 0.00 -0.02 -0.16 0.00 -0.31 0.00 0.00 62.40 61.91 3b4s h SER 134 CO 0.00 0.52 -0.27 1.23 -0.87 0.00 0.00 176.83 177.44 3b4s h GLY 135 N 1.32 0.44 1.80 -0.77 0.00 -1.98 -0.10 103.07 103.78 3b4s h GLY 135 Ca 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 47.33 47.55 3b4s h GLY 135 CO 0.06 -0.30 -0.58 -1.33 0.00 0.00 0.00 176.54 174.40 3b4s h GLY 136 N -0.02 0.23 0.96 4.60 0.00 -0.63 -2.67 103.07 105.54 3b4s h GLY 136 Ca 0.39 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.43 3b4s h GLY 136 CO -0.90 0.24 -0.10 -0.55 0.00 0.00 0.00 176.54 175.23 3b4s h ASP 137 N 0.16 -0.25 -0.54 0.19 3.45 -0.40 0.47 116.42 119.49 3b4s h ASP 137 Ca -0.00 -0.02 0.07 0.00 0.43 0.00 0.00 57.03 57.50 3b4s h ASP 137 Cb 1.06 0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 39.84 3b4s h ASP 137 CO 0.09 -0.14 0.23 0.50 -1.57 0.00 0.00 179.24 178.35 3b4s h LYS 138 N -0.33 0.42 -0.33 3.56 3.64 -1.05 0.39 116.57 122.86 3b4s h LYS 138 Ca -0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3b4s h LYS 138 Cb 0.25 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3b4s h LYS 138 CO 0.05 0.28 0.18 1.49 -2.27 0.00 0.00 179.45 179.17 3b4s h GLU 139 N 0.44 0.47 -0.81 1.90 4.57 -1.16 -1.96 114.58 118.04 3b4s h GLU 139 Ca 0.26 -0.06 0.09 0.00 -1.18 0.00 0.00 59.36 58.47 3b4s h GLU 139 Cb 0.25 -0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.68 3b4s h GLU 139 CO -0.23 0.41 0.46 1.25 -1.18 0.00 0.00 179.01 179.71 3b4s h LEU 140 N 0.41 0.66 -0.29 1.64 6.46 0.62 -1.37 115.31 123.44 3b4s h LEU 140 Ca 0.12 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.87 3b4s h LEU 140 Cb 0.08 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 3b4s h LEU 140 CO -0.02 0.38 -0.02 -0.33 -0.62 0.00 0.00 178.44 177.84 3b4s h GLU 141 N 0.78 0.53 0.03 1.25 5.08 -0.51 0.21 114.58 121.94 3b4s h GLU 141 Ca 0.39 -0.18 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 3b4s h GLU 141 Cb 0.34 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.49 3b4s h GLU 141 CO -0.24 0.69 -0.39 2.35 -1.00 0.00 0.00 179.01 180.42 3b4s h TRP 142 N 0.31 -1.10 -0.88 4.33 7.01 -1.17 -0.76 115.95 123.69 3b4s h TRP 142 Ca 0.08 0.03 0.14 0.00 2.11 0.00 0.00 58.89 61.25 3b4s h TRP 142 Cb 0.46 0.48 -0.09 0.00 -2.10 0.00 0.00 29.16 27.91 3b4s h TRP 142 CO 0.04 -0.48 0.49 -0.07 -2.79 0.00 0.00 178.44 175.63 3b4s h LEU 143 N -0.56 0.64 -0.08 0.65 3.38 -0.95 0.04 115.31 118.43 3b4s h LEU 143 Ca 0.05 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3b4s h LEU 143 Cb 0.63 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3b4s h LEU 143 CO -0.29 0.29 0.03 0.40 0.09 0.00 0.00 178.44 178.96 3b4s h ILE 144 N 0.72 1.17 -0.42 1.22 2.04 -0.61 -0.81 117.51 120.81 3b4s h ILE 144 Ca 0.47 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3b4s h ILE 144 Cb 0.61 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 37.99 3b4s h ILE 144 CO -0.33 0.15 0.00 1.23 0.00 0.00 0.00 178.15 179.20 3b4s h GLY 145 N -0.05 0.43 0.61 5.37 0.00 -0.23 0.13 103.07 109.33 3b4s h GLY 145 Ca 0.03 0.05 0.05 0.00 0.00 0.00 0.00 47.33 47.45 3b4s h GLY 145 CO -0.00 -0.10 0.04 -0.09 0.00 0.00 0.00 176.54 176.39 3b4s h ARG 146 N 0.11 0.14 -0.54 4.80 2.43 -0.82 -0.10 114.38 120.40 3b4s h ARG 146 Ca 0.21 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.48 3b4s h ARG 146 Cb 0.30 -0.03 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 3b4s h ARG 146 CO -0.34 0.09 -0.18 0.77 -1.51 0.00 0.00 179.97 178.80 3b4s h SER 147 N 0.14 -0.64 -0.35 -3.80 0.02 -0.13 0.18 113.55 108.97 3b4s h SER 147 Ca 0.14 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3b4s h SER 147 Cb 0.16 0.38 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3b4s h SER 147 CO -0.20 -0.21 0.23 0.25 -1.14 0.00 0.00 176.83 175.75 3b4s h LEU 148 N -0.05 0.41 0.00 5.07 7.12 0.65 -2.52 115.31 125.99 3b4s h LEU 148 Ca 0.26 -0.02 -0.00 0.00 0.13 0.00 0.00 57.88 58.24 3b4s h LEU 148 Cb 0.44 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.47 3b4s h LEU 148 CO -0.58 0.31 -0.00 0.40 -0.13 0.00 0.00 178.44 178.44 3b4s h ILE 149 N 0.47 1.03 0.00 4.05 5.03 -0.61 -2.90 117.51 124.59 3b4s h ILE 149 Ca 0.13 -0.10 0.00 0.00 -0.12 0.00 0.00 64.86 64.77 3b4s h ILE 149 Cb -0.04 1.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.84 3b4s h ILE 149 CO -0.03 0.03 0.00 1.67 -0.68 0.00 0.00 178.15 179.14 3b4s n GLN 150 N -5.07 0.00 0.00 2.37 7.27 0.58 -3.27 117.38 119.26 3b4s n GLN 150 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 3b4s n GLN 150 Cb 0.05 -1.37 0.00 0.00 2.41 0.00 0.00 30.24 31.33 3b4s n GLN 150 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3b4s n SER 152 N 1.74 0.00 0.00 1.69 7.64 -1.10 -5.09 113.62 118.50 3b4s n SER 152 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3b4s n SER 152 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3b4s n SER 152 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20