#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b4s s GLY 64 N 0.00 2.20 0.16 0.44 0.00 -1.26 -4.96 107.32 103.89 3b4s s GLY 64 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 44.72 44.49 3b4s s GLY 64 CO 0.00 0.26 1.57 3.21 0.00 0.00 0.00 173.10 178.14 3b4s h ARG 65 N 1.77 -0.29 -0.27 2.90 2.47 -2.09 -2.17 114.38 116.71 3b4s h ARG 65 Ca -0.48 0.02 0.06 0.00 -1.26 0.00 0.00 59.98 58.33 3b4s h ARG 65 Cb 1.18 0.06 -0.07 0.00 -1.65 0.00 0.00 29.97 29.49 3b4s h ARG 65 CO 0.64 -0.19 -0.23 0.82 0.56 0.00 0.00 179.97 181.57 3b4s h ILE 66 N -0.30 0.41 -0.41 2.04 1.08 -2.05 -2.97 117.51 115.32 3b4s h ILE 66 Ca 0.15 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.65 3b4s h ILE 66 Cb 0.58 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 3b4s h ILE 66 CO -0.62 0.00 0.19 0.15 -0.69 0.00 0.00 178.15 177.18 3b4s h PHE 67 N -0.22 0.34 0.00 1.37 3.04 -1.91 0.24 116.94 119.79 3b4s h PHE 67 Ca 0.14 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.11 3b4s h PHE 67 Cb 0.45 -0.09 0.00 0.00 2.56 0.00 0.00 35.95 38.86 3b4s h PHE 67 CO -0.40 0.17 0.00 1.63 -2.02 0.00 0.00 178.31 177.69 3b4s n LYS 68 N -4.95 0.00 0.00 1.11 5.02 -0.83 -0.70 118.16 117.82 3b4s n LYS 68 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3b4s n LYS 68 Cb 0.12 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.21 3b4s n LYS 68 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3b4s n PHE 70 N -0.04 0.00 -0.33 2.13 7.35 0.83 -1.32 117.46 126.08 3b4s n PHE 70 Ca 0.00 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 56.94 3b4s n PHE 70 Cb 0.00 0.00 0.54 0.00 0.35 0.00 0.00 39.48 40.37 3b4s n PHE 70 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3b4s h ILE 71 N 0.00 0.48 0.00 -2.13 1.08 -1.16 -0.25 117.51 115.53 3b4s h ILE 71 Ca 0.00 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.35 3b4s h ILE 71 Cb 0.00 0.12 0.00 0.00 -3.07 0.00 0.00 36.82 33.87 3b4s h ILE 71 CO 0.00 0.06 0.00 -0.62 -0.69 0.00 0.00 178.15 176.90 3b4s n GLU 72 N -4.60 0.20 0.15 2.37 1.02 -0.44 -1.55 120.64 117.79 3b4s n GLU 72 Ca 0.26 0.14 0.11 0.00 -0.02 0.00 0.00 57.16 57.66 3b4s n GLU 72 Cb 0.95 -1.50 0.06 0.00 -0.02 0.00 0.00 31.44 30.93 3b4s n GLU 72 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3b4s h HIS 73 N 0.00 0.00 -3.40 -0.32 3.86 -1.33 -3.47 115.15 110.48 3b4s h HIS 73 Ca 0.00 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.55 3b4s h HIS 73 Cb 0.09 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 28.42 3b4s h HIS 73 CO 0.00 0.02 -0.66 -0.51 0.86 0.00 0.00 177.93 177.64 3b4s s LEU 74 N -5.71 3.43 -0.37 2.43 1.43 -0.60 -4.66 118.68 114.63 3b4s s LEU 74 Ca 0.02 -0.10 -0.17 0.00 -1.03 0.00 0.00 54.13 52.86 3b4s s LEU 74 Cb 0.08 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3b4s s LEU 74 CO 0.74 0.24 0.43 -0.70 0.23 0.00 0.00 176.35 177.30 3b4s s GLU 75 N -1.79 3.44 -0.12 1.70 2.56 -1.26 -4.97 118.70 118.25 3b4s s GLU 75 Ca 0.21 -0.44 0.19 0.00 0.00 0.00 0.00 54.97 54.93 3b4s s GLU 75 Cb -0.11 -3.86 -0.27 0.00 2.00 0.00 0.00 34.13 31.89 3b4s s GLU 75 CO 0.12 -0.66 0.23 1.19 -0.56 0.00 0.00 175.26 175.58 3b4s n PHE 76 N 5.57 0.00 0.78 5.30 3.01 -1.26 -3.50 117.46 127.36 3b4s n PHE 76 Ca -0.07 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.50 3b4s n PHE 76 Cb 0.49 -0.76 0.50 0.00 -0.01 0.00 0.00 39.48 39.70 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 -2.51 0.03 -0.57 -1.08 -0.58 -1.26 -4.05 120.64 110.61 3b4s n GLU 77 Ca -0.20 0.12 0.06 0.00 -0.42 0.00 0.00 57.16 56.72 3b4s n GLU 77 Cb 0.89 -1.54 0.19 0.00 -0.57 0.00 0.00 31.44 30.41 3b4s n GLU 77 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3b4s n LYS 78 N -1.59 1.44 0.00 3.49 5.02 -1.26 -5.10 118.16 120.17 3b4s n LYS 78 Ca 0.06 -3.11 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 3b4s n LYS 78 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 3b4s n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b4s n GLY 79 N -1.07 -1.22 0.35 0.72 0.00 -1.26 -4.04 105.19 98.68 3b4s n GLY 79 Ca 0.18 -1.61 0.01 0.00 0.00 0.00 0.00 46.02 44.60 3b4s n GLY 79 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3b4s n LEU 80 N -1.84 -0.52 -0.15 0.99 4.32 -1.26 -2.15 117.00 116.40 3b4s n LEU 80 Ca 0.00 1.63 -0.11 0.00 -0.02 0.00 0.00 56.01 57.51 3b4s n LEU 80 Cb 0.00 -0.41 -0.01 0.00 -1.62 0.00 0.00 43.42 41.38 3b4s n LEU 80 CO 0.00 -1.50 0.68 0.44 -1.22 0.00 0.00 177.39 175.79 3b4s h ASP 81 N 0.00 0.93 -0.59 -1.43 5.19 -1.98 -0.38 116.42 118.16 3b4s h ASP 81 Ca 0.37 -0.39 0.05 0.00 -0.62 0.00 0.00 57.03 56.44 3b4s h ASP 81 Cb 0.60 -0.26 -0.03 0.00 0.18 0.00 0.00 39.33 39.82 3b4s h ASP 81 CO -0.94 1.11 0.39 0.00 -3.12 0.00 0.00 179.24 176.68 3b4s h ALA 82 N 0.85 1.77 0.53 3.45 0.00 -1.57 0.16 119.26 124.44 3b4s h ALA 82 Ca 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 3b4s h ALA 82 Cb 0.75 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3b4s h ALA 82 CO 0.06 0.15 -0.25 0.35 0.00 0.00 0.00 179.25 179.55 3b4s h PHE 83 N 0.62 -0.66 -0.90 0.00 3.57 -0.95 -1.68 116.94 116.94 3b4s h PHE 83 Ca 0.25 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.83 3b4s h PHE 83 Cb 0.21 0.22 -0.12 0.00 2.79 0.00 0.00 35.95 39.05 3b4s h PHE 83 CO -0.00 -0.40 -0.50 0.43 -2.23 0.00 0.00 178.31 175.61 3b4s n SER 84 N -5.25 -0.89 -0.18 0.41 7.64 -0.25 -1.33 113.62 113.77 3b4s n SER 84 Ca -0.09 1.60 -0.03 0.00 1.01 0.00 0.00 58.87 61.36 3b4s n SER 84 Cb 0.28 -0.24 0.03 0.00 -1.01 0.00 0.00 64.21 63.28 3b4s n SER 84 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3b4s h GLN 85 N 0.00 -0.10 -0.58 1.43 1.08 -0.62 0.12 115.11 116.44 3b4s h GLN 85 Ca 0.18 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 3b4s h GLN 85 Cb 0.40 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 3b4s h GLN 85 CO -0.86 -0.07 0.32 0.66 -0.95 0.00 0.00 178.83 177.94 3b4s h SER 86 N -0.10 0.72 0.78 1.46 4.64 -0.22 0.24 113.55 121.07 3b4s h SER 86 Ca 0.25 -0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.44 3b4s h SER 86 Cb 0.50 -0.18 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3b4s h SER 86 CO -0.62 0.60 -0.38 -0.25 -0.87 0.00 0.00 176.83 175.32 3b4s h TRP 87 N 0.79 -0.98 -0.73 4.77 2.91 -0.93 0.11 115.95 121.89 3b4s h TRP 87 Ca 0.21 -0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.37 3b4s h TRP 87 Cb 0.04 0.32 -0.13 0.00 -0.51 0.00 0.00 29.16 28.88 3b4s h TRP 87 CO -0.01 -0.59 0.02 0.82 -1.03 0.00 0.00 178.44 177.64 3b4s h ILE 88 N -1.19 0.37 -0.82 2.65 1.08 -0.82 0.19 117.51 118.97 3b4s h ILE 88 Ca -0.11 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.30 3b4s h ILE 88 Cb 0.82 0.25 -0.04 0.00 -3.07 0.00 0.00 36.82 34.78 3b4s h ILE 88 CO 0.18 0.02 0.44 0.50 -0.69 0.00 0.00 178.15 178.59 3b4s h LYS 89 N 0.12 1.15 -0.24 2.37 1.63 -0.24 -2.63 116.57 118.72 3b4s h LYS 89 Ca 0.40 -0.14 -0.03 0.00 -0.85 0.00 0.00 60.65 60.03 3b4s h LYS 89 Cb 0.70 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 3b4s h LYS 89 CO -0.63 0.85 0.02 0.00 -3.45 0.00 0.00 179.45 176.24 3b4s h ALA 90 N 1.23 1.59 0.00 5.00 0.00 0.20 -1.78 119.26 125.50 3b4s h ALA 90 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3b4s h ALA 90 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3b4s h ALA 90 CO -0.04 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.79 3b4s n LEU 91 N -4.36 0.00 0.11 0.00 4.77 -0.79 0.34 117.00 117.07 3b4s n LEU 91 Ca 0.01 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.32 3b4s n LEU 91 Cb 0.18 -0.21 0.25 0.00 -2.33 0.00 0.00 43.42 41.31 3b4s n LEU 91 CO 0.37 -0.11 0.61 -0.33 -1.33 0.00 0.00 177.39 176.59 3b4s h GLU 92 N 0.00 0.00 -5.10 3.23 5.08 -1.42 -3.45 114.58 112.92 3b4s h GLU 92 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 3b4s h GLU 92 Cb 0.09 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.15 3b4s h GLU 92 CO 0.00 0.00 -0.59 0.34 -1.00 0.00 0.00 179.01 177.76 3b4s s ASP 93 N -4.77 5.42 0.30 1.42 2.15 0.15 -4.97 116.67 116.37 3b4s s ASP 93 Ca 0.07 -0.06 0.11 0.00 0.43 0.00 0.00 52.55 53.10 3b4s s ASP 93 Cb 0.11 -1.95 0.45 0.00 -0.30 0.00 0.00 42.92 41.22 3b4s s ASP 93 CO 0.67 0.06 1.66 0.77 -0.17 0.00 0.00 175.17 178.16 3b4s h SER 94 N 7.53 0.00 0.08 -0.34 4.64 -1.86 -0.13 113.55 123.47 3b4s h SER 94 Ca -0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.94 3b4s h SER 94 Cb 1.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3b4s h SER 94 CO 0.63 0.56 -0.04 -0.33 -0.87 0.00 0.00 176.83 176.77 3b4s h GLU 95 N 0.00 0.00 -0.10 4.77 4.39 -1.93 -1.94 114.58 119.77 3b4s h GLU 95 Ca -0.01 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 3b4s h GLU 95 Cb 0.99 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3b4s h GLU 95 CO 0.07 0.04 -0.44 0.35 -1.16 0.00 0.00 179.01 177.87 3b4s h PHE 96 N 0.00 0.64 -0.83 4.33 3.57 -1.29 -2.94 116.94 120.43 3b4s h PHE 96 Ca -0.00 -0.28 0.11 0.00 3.53 0.00 0.00 57.97 61.33 3b4s h PHE 96 Cb 0.09 -0.10 -0.08 0.00 2.79 0.00 0.00 35.95 38.65 3b4s h PHE 96 CO 0.00 1.04 0.46 -0.07 -2.23 0.00 0.00 178.31 177.51 3b4s h LEU 97 N 0.06 0.63 -1.01 0.59 -0.00 -1.19 -0.33 115.31 114.05 3b4s h LEU 97 Ca -0.03 0.06 0.09 0.00 -0.00 0.00 0.00 57.88 58.01 3b4s h LEU 97 Cb 1.09 -0.06 -0.08 0.00 -0.00 0.00 0.00 40.66 41.62 3b4s h LEU 97 CO 0.09 0.34 0.64 0.00 -0.00 0.00 0.00 178.44 179.51 3b4s h ALA 98 N 1.48 1.47 -0.21 1.53 0.00 -1.29 -0.65 119.26 121.59 3b4s h ALA 98 Ca 0.41 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 3b4s h ALA 98 Cb 0.44 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3b4s h ALA 98 CO -0.28 0.34 -0.04 0.82 0.00 0.00 0.00 179.25 180.08 3b4s h ILE 99 N 1.09 1.28 -0.64 0.00 2.04 -0.97 -2.52 117.51 117.79 3b4s h ILE 99 Ca 0.47 -1.02 0.08 0.00 1.00 0.00 0.00 64.86 65.39 3b4s h ILE 99 Cb 0.33 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 3b4s h ILE 99 CO -0.22 0.31 0.42 -0.07 0.00 0.00 0.00 178.15 178.59 3b4s h LEU 100 N 0.12 0.49 0.08 1.44 4.07 -0.47 0.13 115.31 121.16 3b4s h LEU 100 Ca 0.05 0.01 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 3b4s h LEU 100 Cb 0.49 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.13 3b4s h LEU 100 CO 0.02 0.31 -0.04 0.03 -1.08 0.00 0.00 178.44 177.68 3b4s h ARG 101 N 0.55 -0.10 -0.71 1.13 3.08 -0.83 -1.59 114.38 115.91 3b4s h ARG 101 Ca 0.28 0.01 0.15 0.00 0.07 0.00 0.00 59.98 60.49 3b4s h ARG 101 Cb 0.40 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.36 3b4s h ARG 101 CO -0.09 -0.04 0.14 -0.07 -1.07 0.00 0.00 179.97 178.84 3b4s h LEU 102 N -0.13 -0.06 -0.89 3.04 3.38 -0.61 0.81 115.31 120.85 3b4s h LEU 102 Ca -0.01 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3b4s h LEU 102 Cb 0.11 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 3b4s h LEU 102 CO 0.02 -0.06 0.54 0.25 0.09 0.00 0.00 178.44 179.28 3b4s h LEU 103 N 0.23 0.81 -0.15 1.67 6.46 -0.59 -2.44 115.31 121.30 3b4s h LEU 103 Ca 0.40 0.03 0.00 0.00 -0.12 0.00 0.00 57.88 58.19 3b4s h LEU 103 Cb 0.67 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 3b4s h LEU 103 CO -0.52 0.48 -0.51 0.49 -0.62 0.00 0.00 178.44 177.76 3b4s n PHE 104 N -4.65 0.00 -0.15 1.25 3.72 -0.43 -4.56 117.46 112.63 3b4s n PHE 104 Ca 0.14 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.51 3b4s n PHE 104 Cb 0.25 -0.18 0.04 0.00 -0.94 0.00 0.00 39.48 38.65 3b4s n PHE 104 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3b4s h HIS 105 N 0.36 -0.16 -0.23 1.38 2.76 -0.38 -2.67 115.15 116.22 3b4s h HIS 105 Ca 0.00 0.04 -0.16 0.00 -2.20 0.00 0.00 60.37 58.05 3b4s h HIS 105 Cb 0.51 0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.62 3b4s h HIS 105 CO 0.00 -0.17 -0.47 1.25 -1.30 0.00 0.00 177.93 177.24 3b4s h HIS 106 N 0.05 0.91 -0.51 5.26 -0.00 -1.80 -3.17 115.15 115.89 3b4s h HIS 106 Ca 0.24 -0.33 0.08 0.00 -0.00 0.00 0.00 60.37 60.36 3b4s h HIS 106 Cb 0.37 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 3b4s h HIS 106 CO -0.37 1.12 0.34 0.82 -0.00 0.00 0.00 177.93 179.85 3b4s h ILE 107 N 0.44 0.91 -0.48 6.26 2.04 -1.78 -2.23 117.51 122.68 3b4s h ILE 107 Ca 0.01 -0.12 -0.26 0.00 1.00 0.00 0.00 64.86 65.48 3b4s h ILE 107 Cb 1.07 0.54 -0.15 0.00 -0.74 0.00 0.00 36.82 37.55 3b4s h ILE 107 CO 0.10 0.06 0.34 1.33 0.00 0.00 0.00 178.15 179.98 3b4s n VAL 108 N -4.47 2.20 -4.18 1.67 0.24 -1.10 -4.87 118.33 107.81 3b4s n VAL 108 Ca 0.08 -1.07 -0.25 0.00 -2.04 0.00 0.00 64.34 61.06 3b4s n VAL 108 Cb 0.33 -0.86 -0.07 0.00 -1.47 0.00 0.00 33.84 31.77 3b4s n VAL 108 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3b4s s THR 109 N -1.73 3.92 0.02 3.34 2.01 -0.84 -5.10 115.64 117.26 3b4s s THR 109 Ca 0.28 -1.44 0.06 0.00 0.31 0.00 0.00 61.69 60.91 3b4s s THR 109 Cb 0.23 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.71 3b4s s THR 109 CO 0.04 -0.18 -0.19 -0.44 -0.69 0.00 0.00 174.62 173.16 3b4s s SER 110 N -3.21 2.20 0.14 3.53 0.01 -1.26 -4.99 113.70 110.12 3b4s s SER 110 Ca 0.29 -0.43 -0.21 0.00 1.31 0.00 0.00 55.95 56.92 3b4s s SER 110 Cb -0.09 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.95 3b4s s SER 110 CO 0.21 0.17 1.67 -0.33 0.41 0.00 0.00 173.24 175.36 3b4s h GLU 111 N 5.23 -0.12 -0.34 12.44 3.07 -2.00 -2.21 114.58 130.65 3b4s h GLU 111 Ca -0.40 0.01 0.07 0.00 -0.50 0.00 0.00 59.36 58.54 3b4s h GLU 111 Cb 1.16 0.03 -0.07 0.00 -0.84 0.00 0.00 28.75 29.03 3b4s h GLU 111 CO 0.46 -0.08 -0.11 1.03 -1.40 0.00 0.00 179.01 178.91 3b4s h SER 112 N -0.12 -0.38 -0.77 1.42 0.87 -2.02 -3.13 113.55 109.41 3b4s h SER 112 Ca 0.12 0.11 0.18 0.00 -1.23 0.00 0.00 61.79 60.97 3b4s h SER 112 Cb 0.31 0.24 -0.13 0.00 -0.44 0.00 0.00 62.40 62.38 3b4s h SER 112 CO -0.29 -0.14 0.10 0.00 -0.53 0.00 0.00 176.83 175.97 3b4s h ALA 113 N 1.29 0.92 -0.92 6.23 0.00 -1.79 0.20 119.26 125.18 3b4s h ALA 113 Ca 0.17 0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.31 3b4s h ALA 113 Cb 0.29 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3b4s h ALA 113 CO -0.37 -0.41 0.61 1.25 0.00 0.00 0.00 179.25 180.33 3b4s h HIS 114 N 0.17 1.15 -0.44 0.00 6.17 -1.55 -2.09 115.15 118.56 3b4s h HIS 114 Ca 0.44 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.52 3b4s h HIS 114 Cb 0.79 -0.39 -0.02 0.00 2.52 0.00 0.00 27.41 30.31 3b4s h HIS 114 CO -0.34 0.71 0.18 0.93 0.71 0.00 0.00 177.93 180.12 3b4s h GLU 115 N 1.23 0.65 0.00 5.26 4.39 -1.11 -2.05 114.58 122.95 3b4s h GLU 115 Ca 0.34 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.90 3b4s h GLU 115 Cb -0.11 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.43 3b4s h GLU 115 CO -0.09 0.59 -0.14 0.35 -1.16 0.00 0.00 179.01 178.56 3b4s h PHE 116 N 0.56 0.00 0.00 4.33 3.57 -0.99 0.17 116.94 124.58 3b4s h PHE 116 Ca 0.15 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.54 3b4s h PHE 116 Cb 0.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3b4s h PHE 116 CO -0.00 0.14 -0.94 0.00 -2.23 0.00 0.00 178.31 175.27 3b4s h ALA 117 N 1.86 0.66 0.00 2.41 0.00 -1.12 -2.28 119.26 120.78 3b4s h ALA 117 Ca -0.00 -0.50 -0.18 0.00 0.00 0.00 0.00 54.91 54.23 3b4s h ALA 117 Cb 0.25 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3b4s h ALA 117 CO 0.02 0.58 -0.99 0.00 0.00 0.00 0.00 179.25 178.86 3b4s h ALA 118 N 1.60 0.56 0.00 0.00 0.00 -0.43 -3.42 119.26 117.57 3b4s h ALA 118 Ca -0.07 -0.82 0.00 0.00 0.00 0.00 0.00 54.91 54.02 3b4s h ALA 118 Cb 1.37 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3b4s h ALA 118 CO 0.04 1.03 -0.04 0.27 0.00 0.00 0.00 179.25 180.55 3b4s n ASN 119 N -3.19 0.00 -0.13 0.00 2.04 -0.10 -4.97 115.26 108.90 3b4s n ASN 119 Ca -0.03 -1.08 -0.08 0.00 -0.44 0.00 0.00 54.58 52.95 3b4s n ASN 119 Cb 0.87 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 38.11 3b4s n ASN 119 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3b4s h GLY 120 N 0.00 0.60 2.00 4.83 0.00 -1.51 -2.19 103.07 106.80 3b4s h GLY 120 Ca 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3b4s h GLY 120 CO 0.00 0.24 -0.14 0.16 0.00 0.00 0.00 176.54 176.80 3b4s h ILE 121 N 0.54 0.56 -0.24 2.60 -0.00 -1.92 -1.89 117.51 117.17 3b4s h ILE 121 Ca 0.15 -0.65 -0.07 0.00 -0.00 0.00 0.00 64.86 64.28 3b4s h ILE 121 Cb -0.00 1.43 -0.01 0.00 -0.00 0.00 0.00 36.82 38.24 3b4s h ILE 121 CO -0.03 0.14 -0.14 -0.78 -0.00 0.00 0.00 178.15 177.34 3b4s h ASP 122 N 0.00 0.53 -0.41 2.16 3.58 -1.80 0.47 116.42 120.96 3b4s h ASP 122 Ca -0.00 -0.43 -0.06 0.00 0.42 0.00 0.00 57.03 56.96 3b4s h ASP 122 Cb 0.42 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.30 3b4s h ASP 122 CO 0.02 0.84 0.04 0.03 -2.88 0.00 0.00 179.24 177.30 3b4s h ARG 123 N 0.23 0.78 -0.36 0.28 2.47 -1.26 -1.95 114.38 114.58 3b4s h ARG 123 Ca 0.05 -0.19 -0.11 0.00 -1.26 0.00 0.00 59.98 58.48 3b4s h ARG 123 Cb 0.66 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3b4s h ARG 123 CO 0.04 0.76 -0.20 1.25 0.56 0.00 0.00 179.97 182.38 3b4s h LEU 124 N 0.74 0.79 -0.56 3.04 7.12 -1.08 -3.03 115.31 122.33 3b4s h LEU 124 Ca 0.15 -0.42 -0.04 0.00 0.13 0.00 0.00 57.88 57.70 3b4s h LEU 124 Cb 0.39 -0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.27 3b4s h LEU 124 CO 0.01 1.03 0.18 0.22 -0.13 0.00 0.00 178.44 179.76 3b4s h TYR 125 N 0.54 0.89 0.00 1.25 3.20 0.14 -1.97 116.97 121.02 3b4s h TYR 125 Ca 0.08 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3b4s h TYR 125 Cb 0.74 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.76 3b4s h TYR 125 CO 0.06 0.74 0.00 1.63 -1.64 0.00 0.00 178.16 178.95 3b4s n LYS 126 N -4.46 0.14 0.00 1.82 4.01 -0.75 -2.07 118.16 116.85 3b4s n LYS 126 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3b4s n LYS 126 Cb 0.19 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.53 3b4s n LYS 126 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3b4s n VAL 128 N 0.58 0.00 -0.23 -0.18 0.31 -0.74 -1.24 118.33 116.83 3b4s n VAL 128 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3b4s n VAL 128 Cb 0.04 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.03 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 1.10 -0.50 5.55 4.81 -1.66 -0.44 114.58 123.44 3b4s h GLU 129 Ca 0.00 -0.28 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3b4s h GLU 129 Cb 0.00 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3b4s h GLU 129 CO 0.00 0.99 0.27 1.03 -0.73 0.00 0.00 179.01 180.57 3b4s h SER 130 N 1.03 0.40 0.74 1.04 0.87 -1.45 0.27 113.55 116.45 3b4s h SER 130 Ca 0.21 0.02 -0.25 0.00 -1.23 0.00 0.00 61.79 60.54 3b4s h SER 130 Cb 0.41 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3b4s h SER 130 CO 0.01 0.28 -1.32 1.56 -0.53 0.00 0.00 176.83 176.83 3b4s h GLN 131 N 0.52 0.05 0.00 2.24 1.08 -1.77 -3.41 115.11 113.81 3b4s h GLN 131 Ca 0.21 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3b4s h GLN 131 Cb 0.09 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 3b4s h GLN 131 CO -0.13 0.86 0.00 1.19 -0.95 0.00 0.00 178.83 179.80 3b4s n PHE 132 N -3.27 0.00 -2.77 2.96 3.72 -0.20 -5.08 117.46 112.82 3b4s n PHE 132 Ca -0.08 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.33 3b4s n PHE 132 Cb 0.99 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.53 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 0.49 -2.02 0.32 1.37 0.00 0.93 -3.52 105.19 102.75 3b4s n GLY 133 Ca 0.00 -1.40 0.15 0.00 0.00 0.00 0.00 46.02 44.77 3b4s n GLY 133 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3b4s h SER 134 N -0.08 -0.02 -0.67 1.61 0.02 -1.94 0.37 113.55 112.83 3b4s h SER 134 Ca 0.00 0.21 0.13 0.00 -0.84 0.00 0.00 61.79 61.30 3b4s h SER 134 Cb 0.08 0.29 -0.13 0.00 0.14 0.00 0.00 62.40 62.78 3b4s h SER 134 CO 0.00 -0.20 -0.17 0.61 -1.14 0.00 0.00 176.83 175.93 3b4s n GLY 135 N -1.38 -1.13 0.20 -3.77 0.00 -1.25 -0.30 105.19 97.55 3b4s n GLY 135 Ca 0.23 0.72 0.04 0.00 0.00 0.00 0.00 46.02 47.01 3b4s n GLY 135 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3b4s h GLY 136 N 0.00 0.00 0.84 -0.02 0.00 -0.30 -3.19 103.07 100.40 3b4s h GLY 136 Ca 0.32 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.63 3b4s h GLY 136 CO -0.69 0.00 -0.30 -0.55 0.00 0.00 0.00 176.54 175.00 3b4s h ASP 137 N 0.00 -0.76 -0.96 0.19 3.32 -0.72 -0.82 116.42 116.67 3b4s h ASP 137 Ca -0.00 0.05 0.18 0.00 0.02 0.00 0.00 57.03 57.28 3b4s h ASP 137 Cb 0.53 0.23 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 3b4s h ASP 137 CO 0.04 -0.47 0.61 0.50 -1.72 0.00 0.00 179.24 178.20 3b4s h LYS 138 N -0.74 0.65 -0.23 3.56 3.11 -1.60 -1.70 116.57 119.61 3b4s h LYS 138 Ca -0.05 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 57.71 3b4s h LYS 138 Cb 0.61 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.69 3b4s h LYS 138 CO 0.04 0.43 -0.02 1.49 -2.81 0.00 0.00 179.45 178.58 3b4s h GLU 139 N 0.67 0.42 -0.24 1.90 4.57 -1.43 -2.31 114.58 118.16 3b4s h GLU 139 Ca 0.52 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.53 3b4s h GLU 139 Cb 0.93 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 3b4s h GLU 139 CO -0.28 0.63 0.06 1.25 -1.18 0.00 0.00 179.01 179.49 3b4s h LEU 140 N 0.18 0.37 -0.22 1.64 5.85 -0.31 -1.20 115.31 121.62 3b4s h LEU 140 Ca 0.06 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.61 3b4s h LEU 140 Cb 0.45 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 3b4s h LEU 140 CO 0.02 0.51 -0.35 -0.33 -0.34 0.00 0.00 178.44 177.94 3b4s h GLU 141 N 0.22 -0.36 -0.20 1.25 5.08 -1.41 0.12 114.58 119.27 3b4s h GLU 141 Ca 0.08 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 3b4s h GLU 141 Cb 0.28 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3b4s h GLU 141 CO 0.00 -0.24 -0.29 2.35 -1.00 0.00 0.00 179.01 179.83 3b4s h TRP 142 N -0.37 -0.80 -0.95 4.33 7.01 -1.13 -1.49 115.95 122.56 3b4s h TRP 142 Ca 0.11 0.04 0.15 0.00 2.11 0.00 0.00 58.89 61.31 3b4s h TRP 142 Cb 0.57 0.38 -0.08 0.00 -2.10 0.00 0.00 29.16 27.92 3b4s h TRP 142 CO -0.48 -0.37 0.60 -0.07 -2.79 0.00 0.00 178.44 175.34 3b4s h LEU 143 N -0.33 0.74 -0.05 0.65 3.38 -0.59 0.87 115.31 119.98 3b4s h LEU 143 Ca 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 3b4s h LEU 143 Cb 0.51 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3b4s h LEU 143 CO -0.38 0.35 -0.04 0.40 0.09 0.00 0.00 178.44 178.86 3b4s h ILE 144 N 0.76 1.36 -0.28 1.22 2.04 -0.03 -1.92 117.51 120.66 3b4s h ILE 144 Ca 0.49 -1.13 0.07 0.00 1.00 0.00 0.00 64.86 65.29 3b4s h ILE 144 Cb 0.74 2.00 -0.07 0.00 -0.74 0.00 0.00 36.82 38.75 3b4s h ILE 144 CO -0.26 0.31 -0.21 1.23 0.00 0.00 0.00 178.15 179.22 3b4s h GLY 145 N -0.31 -0.06 0.48 5.37 0.00 -0.89 0.38 103.07 108.04 3b4s h GLY 145 Ca 0.01 0.27 0.22 0.00 0.00 0.00 0.00 47.33 47.83 3b4s h GLY 145 CO 0.01 -0.19 0.55 -0.09 0.00 0.00 0.00 176.54 176.82 3b4s h ARG 146 N -0.20 0.00 -0.02 4.80 9.65 -0.72 0.58 114.38 128.48 3b4s h ARG 146 Ca 0.15 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 58.96 3b4s h ARG 146 Cb 0.43 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.01 3b4s h ARG 146 CO -0.40 0.00 -0.25 0.77 2.80 0.00 0.00 179.97 182.89 3b4s h SER 147 N 0.00 0.25 -0.52 -3.80 0.02 0.48 -2.03 113.55 107.95 3b4s h SER 147 Ca 0.36 -0.73 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 3b4s h SER 147 Cb 1.45 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.88 3b4s h SER 147 CO -0.00 0.95 0.30 -0.07 -1.14 0.00 0.00 176.83 176.87 3b4s h LEU 148 N -0.41 0.49 -0.93 5.07 3.38 0.01 -1.88 115.31 121.04 3b4s h LEU 148 Ca -0.03 0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.07 3b4s h LEU 148 Cb 0.97 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.54 3b4s h LEU 148 CO 0.05 0.34 0.55 0.40 0.09 0.00 0.00 178.44 179.88 3b4s h ILE 149 N 0.60 0.87 0.00 1.22 1.08 -0.87 -2.80 117.51 117.62 3b4s h ILE 149 Ca 0.21 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 3b4s h ILE 149 Cb 0.04 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 33.72 3b4s h ILE 149 CO -0.10 0.16 0.00 0.00 -0.69 0.00 0.00 178.15 177.52 3b4s n GLN 150 N -4.70 0.14 0.00 2.37 1.13 -0.71 -3.40 117.38 112.21 3b4s n GLN 150 Ca 0.17 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3b4s n GLN 150 Cb 0.36 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.28 3b4s n GLN 150 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3b4s n SER 152 N 1.35 0.00 -0.24 1.08 3.41 -1.06 -5.10 113.62 113.06 3b4s n SER 152 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.64 3b4s n SER 152 Cb 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.05 3b4s n SER 152 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17