#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k60 s SER -4 N 0.00 4.91 -0.00 1.61 0.01 -0.00 -4.98 113.70 115.25 2k60 s SER -4 Ca 0.00 -0.00 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 2k60 s SER -4 Cb 0.00 -1.50 -0.18 0.00 0.21 0.00 0.00 66.02 64.56 2k60 s SER -4 CO 0.00 0.30 1.23 -0.74 0.41 0.00 0.00 173.24 174.44 2k60 h HIS -3 N 5.75 -0.20 -6.54 2.43 -0.00 -1.89 -3.32 115.15 111.38 2k60 h HIS -3 Ca -0.43 -0.00 -0.48 0.00 -0.00 0.00 0.00 60.37 59.46 2k60 h HIS -3 Cb 1.18 0.07 0.03 0.00 -0.00 0.00 0.00 27.41 28.69 2k60 h HIS -3 CO 0.57 0.17 -0.07 0.00 -0.00 0.00 0.00 177.93 178.61 2k60 n MET -2 N -5.01 0.61 0.00 5.26 -0.00 -1.26 -4.90 117.12 111.83 2k60 n MET -2 Ca -0.09 -3.09 0.00 0.00 -0.00 0.00 0.00 57.70 54.53 2k60 n MET -2 Cb 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 33.22 33.23 2k60 n MET -2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2k60 n ALA -1 N -2.33 2.33 -2.53 3.17 0.00 -1.26 -4.97 120.51 114.92 2k60 n ALA -1 Ca -0.13 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2k60 n ALA -1 Cb 0.59 0.24 -0.04 0.00 0.00 0.00 0.00 19.45 20.24 2k60 n ALA -1 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2k60 s SER 0 N -3.98 7.32 0.20 0.00 1.04 -1.25 -4.80 113.70 112.23 2k60 s SER 0 Ca 0.00 1.59 0.22 0.00 0.48 0.00 0.00 55.95 58.24 2k60 s SER 0 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 2k60 s SER 0 CO 0.00 -0.14 1.03 0.28 0.98 0.00 0.00 173.24 175.40 2k60 h SER 58 N 6.25 0.00 -4.49 7.02 0.02 -1.95 -3.46 113.55 116.93 2k60 h SER 58 Ca -0.42 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.28 2k60 h SER 58 Cb 1.21 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.60 2k60 h SER 58 CO 0.73 0.04 -0.70 -0.70 -1.14 0.00 0.00 176.83 175.06 2k60 s GLU 59 N -3.33 0.86 0.52 3.45 2.56 -1.26 -5.15 118.70 116.34 2k60 s GLU 59 Ca -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 54.97 53.63 2k60 s GLU 59 Cb 0.09 -0.30 0.01 0.00 2.00 0.00 0.00 34.13 35.93 2k60 s GLU 59 CO 0.79 0.01 0.77 0.34 -0.56 0.00 0.00 175.26 176.61 2k60 s ASP 60 N -2.95 5.60 -0.83 -1.70 2.15 -1.26 -4.33 116.67 113.35 2k60 s ASP 60 Ca 0.11 0.36 -0.02 0.00 0.43 0.00 0.00 52.55 53.43 2k60 s ASP 60 Cb 0.04 -1.43 -0.02 0.00 -0.30 0.00 0.00 42.92 41.20 2k60 s ASP 60 CO -0.03 -0.94 0.75 -0.62 -0.17 0.00 0.00 175.17 174.16 2k60 n GLU 61 N -2.32 -1.55 -1.69 4.34 1.02 -1.26 -4.89 120.64 114.29 2k60 n GLU 61 Ca 0.04 1.29 -0.43 0.00 -0.02 0.00 0.00 57.16 58.04 2k60 n GLU 61 Cb 0.58 -5.61 -0.02 0.00 -0.02 0.00 0.00 31.44 26.37 2k60 n GLU 61 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2k60 n LYS 62 N -2.22 2.16 0.00 3.49 4.76 -1.26 -4.99 118.16 120.10 2k60 n LYS 62 Ca -0.03 0.76 0.00 0.00 -2.87 0.00 0.00 58.31 56.17 2k60 n LYS 62 Cb 0.54 -2.40 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 2k60 n LYS 62 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2k60 n LEU 63 N 1.56 0.70 0.14 -0.35 7.94 -1.26 -4.89 117.00 120.84 2k60 n LEU 63 Ca 0.08 0.34 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2k60 n LEU 63 Cb 0.34 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.29 2k60 n LEU 63 CO 0.63 0.00 0.00 -0.24 -1.11 0.00 0.00 177.39 176.67 2k60 n SER 64 N -0.45 -2.58 -0.10 1.96 2.88 -1.26 -4.87 113.62 109.20 2k60 n SER 64 Ca 0.00 0.59 -0.13 0.00 -1.33 0.00 0.00 58.87 57.99 2k60 n SER 64 Cb 0.00 2.57 -0.04 0.00 -0.75 0.00 0.00 64.21 65.99 2k60 n SER 64 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 2k60 h PHE 65 N 0.00 0.92 -0.33 0.66 3.57 -1.99 0.12 116.94 119.89 2k60 h PHE 65 Ca 0.00 -0.28 -0.06 0.00 3.53 0.00 0.00 57.97 61.16 2k60 h PHE 65 Cb 0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.53 2k60 h PHE 65 CO 0.00 1.05 -0.05 1.05 -2.23 0.00 0.00 178.31 178.13 2k60 h GLU 66 N 0.53 0.54 0.18 1.11 4.11 -1.93 -1.32 114.58 117.80 2k60 h GLU 66 Ca 0.05 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.34 2k60 h GLU 66 Cb 0.89 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k60 h GLU 66 CO 0.08 0.60 -0.08 0.00 0.07 0.00 0.00 179.01 179.67 2k60 h ALA 67 N 1.44 -0.24 -0.84 1.06 0.00 -1.75 -0.42 119.26 118.53 2k60 h ALA 67 Ca 0.10 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k60 h ALA 67 Cb 0.40 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k60 h ALA 67 CO 0.02 -0.47 0.55 -0.24 0.00 0.00 0.00 179.25 179.11 2k60 h VAL 68 N -0.57 1.22 0.00 0.00 3.04 -0.50 0.65 116.25 120.09 2k60 h VAL 68 Ca -0.02 -0.40 -0.08 0.00 -1.01 0.00 0.00 66.70 65.18 2k60 h VAL 68 Cb 0.43 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 2k60 h VAL 68 CO 0.04 0.21 -0.40 0.08 -1.01 0.00 0.00 177.57 176.49 2k60 h ARG 69 N 1.14 0.00 -0.02 4.17 0.11 -1.24 -1.32 114.38 117.22 2k60 h ARG 69 Ca 0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.38 2k60 h ARG 69 Cb -0.12 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 30.96 2k60 h ARG 69 CO -0.07 0.40 -0.01 -0.97 0.10 0.00 0.00 179.97 179.42 2k60 h ASN 70 N 0.00 0.05 0.36 0.08 -1.24 0.85 0.40 115.58 116.08 2k60 h ASN 70 Ca -0.00 -0.41 -0.08 0.00 0.71 0.00 0.00 56.30 56.51 2k60 h ASN 70 Cb 0.78 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.81 2k60 h ASN 70 CO 0.05 0.45 -0.37 0.40 -1.29 0.00 0.00 177.43 176.67 2k60 h ILE 71 N -0.35 1.27 -0.59 2.57 5.03 -1.11 -0.16 117.51 124.17 2k60 h ILE 71 Ca 0.01 -1.30 -0.07 0.00 -0.12 0.00 0.00 64.86 63.38 2k60 h ILE 71 Cb 0.43 1.69 -0.02 0.00 -3.03 0.00 0.00 36.82 35.89 2k60 h ILE 71 CO 0.00 0.37 0.10 -0.74 -0.68 0.00 0.00 178.15 177.21 2k60 h HIS 72 N 0.02 1.03 0.00 1.37 6.17 -1.12 -2.75 115.15 119.87 2k60 h HIS 72 Ca -0.00 -0.14 -0.01 0.00 0.71 0.00 0.00 60.37 60.93 2k60 h HIS 72 Cb 0.67 -0.28 -0.00 0.00 2.52 0.00 0.00 27.41 30.32 2k60 h HIS 72 CO 0.00 0.89 -0.03 -0.22 0.71 0.00 0.00 177.93 179.28 2k60 h LYS 73 N 0.87 0.00 -0.18 5.26 1.63 0.15 0.13 116.57 124.44 2k60 h LYS 73 Ca 0.18 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.03 2k60 h LYS 73 Cb 0.41 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 2k60 h LYS 73 CO 0.01 0.03 0.40 -0.07 -3.45 0.00 0.00 179.45 176.37 2k60 h LEU 74 N 0.00 0.00 0.00 5.20 4.07 -0.83 -2.71 115.31 121.04 2k60 h LEU 74 Ca -0.00 0.00 -0.37 0.00 0.08 0.00 0.00 57.88 57.59 2k60 h LEU 74 Cb 0.11 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.79 2k60 h LEU 74 CO 0.00 0.00 -2.23 0.23 -1.08 0.00 0.00 178.44 175.36 2k60 n MET 75 N -3.22 0.48 -2.73 1.13 2.81 0.35 -4.50 117.12 111.44 2k60 n MET 75 Ca 0.02 0.19 -0.42 0.00 -1.81 0.00 0.00 57.70 55.68 2k60 n MET 75 Cb 0.50 -1.31 -0.03 0.00 -0.71 0.00 0.00 33.22 31.67 2k60 n MET 75 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k60 s ASP 76 N -6.86 6.30 0.23 7.83 2.15 -0.57 -3.15 116.67 122.61 2k60 s ASP 76 Ca -0.31 -1.09 -0.06 0.00 0.43 0.00 0.00 52.55 51.52 2k60 s ASP 76 Cb 0.11 -2.48 0.40 0.00 -0.30 0.00 0.00 42.92 40.65 2k60 s ASP 76 CO 0.40 -1.51 1.71 -0.78 -0.17 0.00 0.00 175.17 174.82 2k60 h ASP 77 N 9.63 0.12 0.51 -0.34 3.58 -1.77 -1.55 116.42 126.59 2k60 h ASP 77 Ca -0.12 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k60 h ASP 77 Cb 1.05 0.14 0.00 0.00 1.72 0.00 0.00 39.33 42.23 2k60 h ASP 77 CO 1.24 0.04 -0.45 -0.90 -2.88 0.00 0.00 179.24 176.30 2k60 n ASP 78 N -5.08 0.51 -3.21 2.28 5.75 -1.26 -4.89 116.55 110.64 2k60 n ASP 78 Ca 0.12 -0.26 -0.22 0.00 -0.01 0.00 0.00 54.79 54.43 2k60 n ASP 78 Cb 0.39 0.19 0.02 0.00 -1.03 0.00 0.00 41.12 40.70 2k60 n ASP 78 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k60 n ALA 79 N -1.42 -2.56 0.26 2.12 0.00 -0.58 0.31 120.51 118.63 2k60 n ALA 79 Ca 0.06 0.55 0.04 0.00 0.00 0.00 0.00 53.44 54.09 2k60 n ALA 79 Cb 0.34 -2.35 0.04 0.00 0.00 0.00 0.00 19.45 17.48 2k60 n ALA 79 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2k60 n ASN 80 N 0.06 1.82 0.00 0.00 6.94 -1.26 -1.00 115.26 121.82 2k60 n ASN 80 Ca -0.01 -1.43 0.00 0.00 -0.02 0.00 0.00 54.58 53.12 2k60 n ASN 80 Cb 0.54 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.93 2k60 n ASN 80 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k60 n GLY 81 N 0.41 0.97 3.17 4.83 0.00 -1.26 -5.04 105.19 108.27 2k60 n GLY 81 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2k60 n GLY 81 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k60 s ASP 82 N -1.84 -0.31 -0.05 1.61 1.47 -1.26 -1.23 116.67 115.07 2k60 s ASP 82 Ca 0.00 0.59 -0.21 0.00 1.18 0.00 0.00 52.55 54.11 2k60 s ASP 82 Cb 0.00 0.58 -0.04 0.00 -0.34 0.00 0.00 42.92 43.11 2k60 s ASP 82 CO 0.00 -0.12 0.61 0.68 0.68 0.00 0.00 175.17 177.02 2k60 s VAL 83 N 0.38 5.02 0.15 2.11 -7.23 0.18 -4.88 120.40 116.13 2k60 s VAL 83 Ca -0.02 1.26 0.03 0.00 -1.81 0.00 0.00 61.98 61.44 2k60 s VAL 83 Cb -0.04 -3.95 -0.04 0.00 0.56 0.00 0.00 36.38 32.92 2k60 s VAL 83 CO -0.02 0.34 0.21 -0.62 -0.31 0.00 0.00 175.10 174.70 2k60 s ASP 84 N 0.35 5.97 0.53 4.85 2.15 -1.26 -2.49 116.67 126.76 2k60 s ASP 84 Ca 0.32 0.04 0.25 0.00 0.43 0.00 0.00 52.55 53.59 2k60 s ASP 84 Cb -0.17 -1.70 1.38 0.00 -0.30 0.00 0.00 42.92 42.12 2k60 s ASP 84 CO 0.16 0.07 2.00 -0.37 -0.17 0.00 0.00 175.17 176.86 2k60 h VAL 85 N 1.86 0.74 0.00 1.11 -1.51 -1.95 0.16 116.25 116.67 2k60 h VAL 85 Ca -0.48 -0.01 -0.18 0.00 -1.23 0.00 0.00 66.70 64.81 2k60 h VAL 85 Cb 1.19 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 31.05 2k60 h VAL 85 CO 0.67 0.00 -0.85 -0.33 -1.23 0.00 0.00 177.57 175.83 2k60 h GLU 86 N 0.02 0.00 0.03 5.19 5.08 -1.96 -2.28 114.58 120.65 2k60 h GLU 86 Ca 0.25 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2k60 h GLU 86 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k60 h GLU 86 CO -0.01 0.85 -0.01 0.93 -1.00 0.00 0.00 179.01 179.77 2k60 h GLU 87 N 0.00 -0.04 -0.01 2.33 5.08 -1.14 -3.31 114.58 117.50 2k60 h GLU 87 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k60 h GLU 87 Cb 1.63 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2k60 h GLU 87 CO 0.11 0.66 0.00 -1.13 -1.00 0.00 0.00 179.01 177.66 2k60 n SER 88 N -4.73 0.36 -0.38 1.42 3.41 0.19 -4.40 113.62 109.49 2k60 n SER 88 Ca -0.08 -1.13 -0.11 0.00 -0.26 0.00 0.00 58.87 57.28 2k60 n SER 88 Cb 0.35 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.20 2k60 n SER 88 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k60 h ASP 89 N 0.55 -2.10 0.44 4.04 1.82 -1.50 0.57 116.42 120.24 2k60 h ASP 89 Ca 0.00 0.32 -0.31 0.00 -0.39 0.00 0.00 57.03 56.65 2k60 h ASP 89 Cb 0.12 0.93 0.01 0.00 0.68 0.00 0.00 39.33 41.07 2k60 h ASP 89 CO 0.00 -0.26 -1.43 1.05 -1.61 0.00 0.00 179.24 177.00 2k60 h GLU 90 N -0.05 0.37 0.62 0.28 4.11 -1.87 -3.35 114.58 114.69 2k60 h GLU 90 Ca 0.15 -0.63 -0.03 0.00 0.07 0.00 0.00 59.36 58.92 2k60 h GLU 90 Cb 0.44 0.24 0.01 0.00 0.50 0.00 0.00 28.75 29.93 2k60 h GLU 90 CO -0.90 1.28 -0.30 0.74 0.07 0.00 0.00 179.01 179.91 2k60 h PHE 91 N 0.10 -0.77 0.07 2.06 0.04 -1.44 0.34 116.94 117.34 2k60 h PHE 91 Ca -0.22 -0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.55 2k60 h PHE 91 Cb 2.06 0.25 -0.02 0.00 2.20 0.00 0.00 35.95 40.45 2k60 h PHE 91 CO 0.09 -0.48 -0.13 1.25 -0.60 0.00 0.00 178.31 178.44 2k60 h LEU 92 N -0.87 -0.36 0.00 1.54 5.85 -1.17 0.10 115.31 120.40 2k60 h LEU 92 Ca -0.08 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.69 2k60 h LEU 92 Cb 0.64 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 2k60 h LEU 92 CO 0.14 -0.19 -0.21 -0.09 -0.34 0.00 0.00 178.44 177.75 2k60 h ARG 93 N -0.26 -0.26 0.00 1.25 2.43 -1.66 0.11 114.38 116.00 2k60 h ARG 93 Ca 0.02 0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.05 2k60 h ARG 93 Cb 0.27 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2k60 h ARG 93 CO -0.08 -0.17 -0.89 0.93 -1.51 0.00 0.00 179.97 178.25 2k60 h GLU 94 N -0.26 0.00 0.00 0.20 5.08 -0.33 0.67 114.58 119.93 2k60 h GLU 94 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 2k60 h GLU 94 Cb 0.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 2k60 h GLU 94 CO -0.14 0.99 -0.09 0.22 -1.00 0.00 0.00 179.01 178.99 2k60 h ASP 95 N -1.00 0.00 0.00 1.42 3.58 -0.81 -0.79 116.42 118.82 2k60 h ASP 95 Ca -0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.20 2k60 h ASP 95 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k60 h ASP 95 CO -0.15 0.09 -0.46 0.00 -2.88 0.00 0.00 179.24 175.84 2k60 n LEU 96 N -3.52 0.00 -0.17 2.28 -0.00 -0.73 -4.77 117.00 110.10 2k60 n LEU 96 Ca -0.02 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.08 2k60 n LEU 96 Cb 0.22 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.58 2k60 n LEU 96 CO 0.28 0.00 0.08 0.59 -0.00 0.00 0.00 177.39 178.35 2k60 n ASN 97 N -0.81 1.24 0.00 1.45 5.03 -0.05 -4.89 115.26 117.23 2k60 n ASN 97 Ca 0.00 -1.12 0.00 0.00 0.87 0.00 0.00 54.58 54.33 2k60 n ASN 97 Cb 0.06 0.80 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 2k60 n ASN 97 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2k60 n TYR 98 N -0.92 0.00 0.00 3.10 4.02 0.22 -4.07 117.16 119.51 2k60 n TYR 98 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 2k60 n TYR 98 Cb 0.33 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 2k60 n TYR 98 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2k60 n HIS 99 N 0.00 0.00 -3.86 -0.72 8.25 -1.24 -4.21 115.22 113.44 2k60 n HIS 99 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2k60 n HIS 99 Cb 0.00 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 30.82 2k60 n HIS 99 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2k60 s ASP 100 N -3.56 -0.03 -0.00 0.41 -4.77 -1.26 -4.68 116.67 102.78 2k60 s ASP 100 Ca 0.00 -0.00 0.15 0.00 -3.30 0.00 0.00 52.55 49.40 2k60 s ASP 100 Cb 0.00 0.23 0.44 0.00 -1.09 0.00 0.00 42.92 42.50 2k60 s ASP 100 CO 0.00 -0.21 1.37 -0.81 0.70 0.00 0.00 175.17 176.22 2k60 n PRO 101 N 2.21 2.16 -0.22 2.11 -0.04 -1.26 -4.32 135.00 135.64 2k60 n PRO 101 Ca -0.18 -1.80 0.12 0.00 -0.04 0.00 0.00 63.50 61.60 2k60 n PRO 101 Cb 0.57 -1.39 0.41 0.00 -0.04 0.00 0.00 33.50 33.05 2k60 n PRO 101 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2k60 h THR 102 N 2.92 0.86 0.58 0.52 2.02 -1.97 0.21 112.91 118.05 2k60 h THR 102 Ca 0.00 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2k60 h THR 102 Cb 0.67 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2k60 h THR 102 CO 0.00 0.11 -0.33 0.58 0.37 0.00 0.00 175.52 176.26 2k60 h VAL 103 N 0.63 0.33 -0.26 3.16 2.07 -1.99 0.11 116.25 120.29 2k60 h VAL 103 Ca 0.40 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.73 2k60 h VAL 103 Cb 0.66 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 2k60 h VAL 103 CO -0.16 0.00 -0.58 0.11 0.02 0.00 0.00 177.57 176.96 2k60 h LYS 104 N -0.85 0.86 0.14 1.57 1.79 -1.68 0.50 116.57 118.89 2k60 h LYS 104 Ca -0.07 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 57.82 2k60 h LYS 104 Cb 0.68 0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.41 2k60 h LYS 104 CO 0.09 1.20 -0.07 0.45 -1.08 0.00 0.00 179.45 180.04 2k60 h HIS 105 N 0.63 -0.17 -0.03 -1.35 3.86 -0.58 0.88 115.15 118.40 2k60 h HIS 105 Ca 0.00 -0.00 -0.20 0.00 -1.16 0.00 0.00 60.37 59.00 2k60 h HIS 105 Cb 1.19 0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.71 2k60 h HIS 105 CO 0.08 -0.08 -0.84 0.77 0.86 0.00 0.00 177.93 178.72 2k60 h SER 106 N -0.22 0.47 -0.09 2.45 0.02 -0.82 -0.24 113.55 115.12 2k60 h SER 106 Ca -0.02 -0.35 -0.02 0.00 -0.84 0.00 0.00 61.79 60.56 2k60 h SER 106 Cb 0.17 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k60 h SER 106 CO 0.03 1.12 -0.01 0.74 -1.14 0.00 0.00 176.83 177.58 2k60 h THR 107 N 0.23 1.27 0.23 -2.27 2.02 -0.85 -0.66 112.91 112.88 2k60 h THR 107 Ca -0.05 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 2k60 h THR 107 Cb 1.45 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 2k60 h THR 107 CO 0.14 0.24 -0.11 0.15 0.37 0.00 0.00 175.52 176.31 2k60 h PHE 108 N -0.13 -0.29 -0.02 3.16 3.57 -0.86 -3.37 116.94 119.00 2k60 h PHE 108 Ca 0.03 -0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 2k60 h PHE 108 Cb 0.38 0.10 0.01 0.00 2.79 0.00 0.00 35.95 39.23 2k60 h PHE 108 CO 0.04 -0.08 -0.62 1.25 -2.23 0.00 0.00 178.31 176.67 2k60 h HIS 109 N -1.05 0.67 0.00 0.41 2.76 -1.19 -3.48 115.15 113.28 2k60 h HIS 109 Ca -0.03 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2k60 h HIS 109 Cb 0.34 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.22 2k60 h HIS 109 CO 0.03 1.16 0.00 0.41 -1.30 0.00 0.00 177.93 178.23 2k60 n GLY 110 N 1.00 2.87 0.69 5.26 0.00 -0.25 -4.60 105.19 110.14 2k60 n GLY 110 Ca -0.10 -0.73 0.08 0.00 0.00 0.00 0.00 46.02 45.27 2k60 n GLY 110 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k60 n GLU 111 N 0.00 1.87 -2.59 1.61 2.13 -1.26 -4.72 120.64 117.67 2k60 n GLU 111 Ca 0.00 -1.35 -0.02 0.00 0.66 0.00 0.00 57.16 56.46 2k60 n GLU 111 Cb 0.00 -1.34 0.01 0.00 0.27 0.00 0.00 31.44 30.38 2k60 n GLU 111 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2k60 n ASP 112 N 0.58 -5.85 0.00 4.31 2.03 -1.24 -4.98 116.55 111.40 2k60 n ASP 112 Ca 0.14 -0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2k60 n ASP 112 Cb 0.34 -3.93 0.00 0.00 -0.72 0.00 0.00 41.12 36.81 2k60 n ASP 112 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2k60 n LYS 113 N -1.73 0.00 -3.63 -0.67 5.02 -1.25 -4.88 118.16 111.02 2k60 n LYS 113 Ca -0.01 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.95 2k60 n LYS 113 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.47 2k60 n LYS 113 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k60 s LEU 114 N 0.00 4.30 -0.08 -0.35 1.43 -1.26 -4.29 118.68 118.43 2k60 s LEU 114 Ca 0.00 0.68 0.04 0.00 -1.03 0.00 0.00 54.13 53.82 2k60 s LEU 114 Cb 0.00 -3.16 0.00 0.00 0.03 0.00 0.00 46.19 43.06 2k60 s LEU 114 CO 0.00 0.10 -0.20 -0.63 0.23 0.00 0.00 176.35 175.86 2k60 s ILE 115 N -1.55 1.69 0.12 -0.59 -1.09 -1.04 -4.40 121.20 114.34 2k60 s ILE 115 Ca 0.37 -0.82 0.09 0.00 -2.23 0.00 0.00 60.65 58.06 2k60 s ILE 115 Cb -0.13 -1.47 -0.04 0.00 -1.58 0.00 0.00 42.46 39.24 2k60 s ILE 115 CO 0.21 0.48 -0.22 -0.55 -1.23 0.00 0.00 174.94 173.63 2k60 s SER 116 N 0.33 2.72 0.18 3.58 0.15 -1.26 0.50 113.70 119.90 2k60 s SER 116 Ca -0.14 -0.73 -0.09 0.00 0.70 0.00 0.00 55.95 55.70 2k60 s SER 116 Cb -0.16 -0.16 0.06 0.00 -1.71 0.00 0.00 66.02 64.06 2k60 s SER 116 CO 0.06 0.07 1.61 -0.37 1.20 0.00 0.00 173.24 175.80 2k60 h VAL 117 N 3.91 1.27 0.00 4.45 -1.51 -1.55 0.36 116.25 123.18 2k60 h VAL 117 Ca -0.46 -1.27 -0.14 0.00 -1.23 0.00 0.00 66.70 63.60 2k60 h VAL 117 Cb 1.18 0.98 -0.02 0.00 -2.13 0.00 0.00 31.29 31.30 2k60 h VAL 117 CO 0.41 0.45 -0.66 1.05 -1.23 0.00 0.00 177.57 177.59 2k60 h GLU 118 N 0.89 0.00 -0.00 5.19 -0.00 -1.97 0.28 114.58 118.98 2k60 h GLU 118 Ca 0.14 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.30 2k60 h GLU 118 Cb 0.68 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.42 2k60 h GLU 118 CO 0.05 0.66 -0.86 0.22 -0.00 0.00 0.00 179.01 179.08 2k60 h ASP 119 N 0.00 0.29 -0.24 3.06 3.58 -1.75 0.31 116.42 121.67 2k60 h ASP 119 Ca -0.01 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.18 2k60 h ASP 119 Cb 1.25 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2k60 h ASP 119 CO 0.09 1.02 0.01 -0.07 -2.88 0.00 0.00 179.24 177.40 2k60 h LEU 120 N 0.13 0.41 -0.39 2.28 3.38 -0.07 -0.87 115.31 120.17 2k60 h LEU 120 Ca -0.04 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.71 2k60 h LEU 120 Cb 1.48 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.03 2k60 h LEU 120 CO 0.13 0.60 -0.25 -0.25 0.09 0.00 0.00 178.44 178.77 2k60 h TRP 121 N 0.20 -0.66 -0.31 1.13 2.91 -0.03 0.48 115.95 119.67 2k60 h TRP 121 Ca 0.07 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.14 2k60 h TRP 121 Cb 0.39 0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 29.38 2k60 h TRP 121 CO 0.03 -0.33 0.19 0.87 -1.03 0.00 0.00 178.44 178.18 2k60 h LYS 122 N -0.19 0.41 -0.00 2.65 6.56 -0.88 -1.61 116.57 123.51 2k60 h LYS 122 Ca 0.19 -0.03 -0.00 0.00 -1.06 0.00 0.00 60.65 59.75 2k60 h LYS 122 Cb 0.48 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2k60 h LYS 122 CO -0.50 0.29 0.00 0.00 -2.06 0.00 0.00 179.45 177.18 2k60 h ALA 123 N 1.09 0.00 -0.37 3.86 0.00 -0.41 -2.76 119.26 120.68 2k60 h ALA 123 Ca 0.11 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.02 2k60 h ALA 123 Cb -0.02 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 2k60 h ALA 123 CO -0.02 -0.43 0.02 2.35 0.00 0.00 0.00 179.25 181.16 2k60 h TRP 124 N -0.13 0.01 0.00 0.00 7.01 0.00 0.22 115.95 123.06 2k60 h TRP 124 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2k60 h TRP 124 Cb 0.13 0.05 -0.00 0.00 -2.10 0.00 0.00 29.16 27.24 2k60 h TRP 124 CO -0.03 -0.05 -0.02 0.87 -2.79 0.00 0.00 178.44 176.41 2k60 h LYS 125 N 0.12 0.00 -0.03 2.65 1.57 -1.21 -0.68 116.57 119.00 2k60 h LYS 125 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k60 h LYS 125 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 2k60 h LYS 125 CO -0.28 0.02 -0.02 0.45 -0.57 0.00 0.00 179.45 179.05 2k60 n SER 126 N -3.69 2.68 -4.97 0.86 2.88 -0.06 -4.85 113.62 106.47 2k60 n SER 126 Ca -0.03 -1.84 -0.21 0.00 -1.33 0.00 0.00 58.87 55.47 2k60 n SER 126 Cb 0.11 0.02 -0.01 0.00 -0.75 0.00 0.00 64.21 63.59 2k60 n SER 126 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k60 s SER 127 N -1.73 6.06 0.54 -3.46 0.01 0.57 -4.98 113.70 110.70 2k60 s SER 127 Ca 0.24 0.03 0.20 0.00 1.31 0.00 0.00 55.95 57.72 2k60 s SER 127 Cb 0.17 -1.52 1.42 0.00 0.21 0.00 0.00 66.02 66.30 2k60 s SER 127 CO 0.27 -0.39 2.18 -0.33 0.41 0.00 0.00 173.24 175.38 2k60 h GLU 128 N 0.85 0.00 -0.10 12.44 3.07 -1.90 -2.89 114.58 126.06 2k60 h GLU 128 Ca -0.48 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.42 2k60 h GLU 128 Cb 1.25 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.09 2k60 h GLU 128 CO 0.56 0.01 -0.45 0.28 -1.40 0.00 0.00 179.01 178.01 2k60 h VAL 129 N 0.00 0.11 0.00 3.13 2.07 -1.90 0.13 116.25 119.79 2k60 h VAL 129 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 2k60 h VAL 129 Cb 0.01 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 2k60 h VAL 129 CO 0.00 0.00 -0.11 0.22 0.02 0.00 0.00 177.57 177.70 2k60 h TYR 130 N -0.54 0.00 0.00 1.57 3.20 -1.52 -2.09 116.97 117.59 2k60 h TYR 130 Ca 0.06 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 2k60 h TYR 130 Cb 0.65 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2k60 h TYR 130 CO -0.49 0.11 -0.79 -0.97 -1.64 0.00 0.00 178.16 174.39 2k60 h ASN 131 N 0.00 0.00 -2.35 -2.11 -1.24 -1.28 -3.42 115.58 105.18 2k60 h ASN 131 Ca -0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 2k60 h ASN 131 Cb 0.34 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.41 2k60 h ASN 131 CO 0.01 0.70 1.24 0.26 -1.29 0.00 0.00 177.43 178.36 2k60 s TRP 132 N -2.86 1.26 0.00 0.67 0.51 -0.08 -4.92 118.94 113.53 2k60 s TRP 132 Ca 0.02 -0.45 -0.00 0.00 -2.12 0.00 0.00 56.10 53.55 2k60 s TRP 132 Cb 0.08 -4.25 0.00 0.00 -0.81 0.00 0.00 33.47 28.50 2k60 s TRP 132 CO 0.78 -5.58 0.00 -2.37 -0.51 0.00 0.00 176.95 169.27 2k60 n THR 133 N 5.62 0.00 -0.18 2.01 5.66 -1.26 -0.86 114.28 125.27 2k60 n THR 133 Ca 0.20 -0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.11 2k60 n THR 133 Cb 0.41 -1.85 0.01 0.00 -1.55 0.00 0.00 70.33 67.35 2k60 n THR 133 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 2k60 h VAL 134 N -0.85 1.24 -0.73 1.08 2.07 -1.94 0.00 116.25 117.12 2k60 h VAL 134 Ca -0.00 -0.81 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 2k60 h VAL 134 Cb 0.00 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 2k60 h VAL 134 CO 0.00 0.30 0.38 -0.78 0.02 0.00 0.00 177.57 177.49 2k60 h ASP 135 N 0.69 0.92 -0.04 0.57 3.58 -1.94 0.10 116.42 120.31 2k60 h ASP 135 Ca 0.16 -0.11 -0.00 0.00 0.42 0.00 0.00 57.03 57.50 2k60 h ASP 135 Cb 0.30 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2k60 h ASP 135 CO -0.00 0.77 0.02 -0.33 -2.88 0.00 0.00 179.24 176.82 2k60 h GLU 136 N 1.01 0.07 -0.24 0.28 4.39 -1.84 -1.15 114.58 117.10 2k60 h GLU 136 Ca 0.25 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.85 2k60 h GLU 136 Cb 0.07 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2k60 h GLU 136 CO -0.04 0.22 -0.23 -0.24 -1.16 0.00 0.00 179.01 177.56 2k60 h VAL 137 N -0.10 1.26 0.18 3.13 3.04 -0.74 -0.15 116.25 122.86 2k60 h VAL 137 Ca 0.01 -1.21 -0.01 0.00 -1.01 0.00 0.00 66.70 64.48 2k60 h VAL 137 Cb 0.18 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.80 2k60 h VAL 137 CO -0.00 0.38 -0.09 0.58 -1.01 0.00 0.00 177.57 177.44 2k60 h VAL 138 N 0.40 0.85 0.00 1.51 2.07 -0.57 0.52 116.25 121.02 2k60 h VAL 138 Ca 0.06 -0.11 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 2k60 h VAL 138 Cb 0.63 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2k60 h VAL 138 CO 0.05 0.03 -0.42 0.06 0.02 0.00 0.00 177.57 177.31 2k60 h GLN 139 N -0.30 0.00 -0.12 1.57 3.07 -1.02 -1.47 115.11 116.84 2k60 h GLN 139 Ca -0.02 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.58 2k60 h GLN 139 Cb 0.23 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.80 2k60 h GLN 139 CO 0.04 0.42 -0.45 2.35 0.09 0.00 0.00 178.83 181.28 2k60 h TRP 140 N 0.00 0.68 -0.63 0.06 2.91 -0.71 -1.14 115.95 117.12 2k60 h TRP 140 Ca -0.00 -0.28 -0.05 0.00 1.13 0.00 0.00 58.89 59.68 2k60 h TRP 140 Cb 0.76 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.28 2k60 h TRP 140 CO 0.00 1.05 0.18 1.37 -1.03 0.00 0.00 178.44 180.00 2k60 h LEU 141 N 0.11 0.90 -0.05 0.65 8.10 0.38 0.98 115.31 126.38 2k60 h LEU 141 Ca -0.02 -0.16 -0.08 0.00 0.11 0.00 0.00 57.88 57.73 2k60 h LEU 141 Cb 1.08 -0.23 0.00 0.00 -0.44 0.00 0.00 40.66 41.07 2k60 h LEU 141 CO 0.09 0.86 -0.28 0.16 -4.11 0.00 0.00 178.44 175.16 2k60 h ILE 142 N 0.93 1.45 0.00 0.15 3.07 -1.26 0.47 117.51 122.32 2k60 h ILE 142 Ca 0.20 -1.73 -0.00 0.00 1.55 0.00 0.00 64.86 64.88 2k60 h ILE 142 Cb 0.29 2.41 -0.00 0.00 -0.27 0.00 0.00 36.82 39.25 2k60 h ILE 142 CO -0.00 0.49 -0.02 0.00 -1.05 0.00 0.00 178.15 177.56 2k60 h THR 143 N -0.26 0.06 0.00 0.16 1.03 -0.95 -0.05 112.91 112.91 2k60 h THR 143 Ca -0.02 -0.44 -0.20 0.00 -0.01 0.00 0.00 66.41 65.74 2k60 h THR 143 Cb 0.94 1.41 -0.03 0.00 -1.07 0.00 0.00 68.15 69.40 2k60 h THR 143 CO 0.06 0.02 -1.52 -1.22 -0.01 0.00 0.00 175.52 172.84 2k60 n TYR 144 N -3.14 0.00 0.11 0.00 4.01 0.32 -4.69 117.16 113.77 2k60 n TYR 144 Ca -0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 2k60 n TYR 144 Cb 0.26 -0.53 0.00 0.00 -0.31 0.00 0.00 39.34 38.76 2k60 n TYR 144 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2k60 h VAL 145 N -0.64 0.53 -3.53 -0.72 2.07 -0.18 -3.48 116.25 110.31 2k60 h VAL 145 Ca -0.30 -1.85 -0.25 0.00 0.82 0.00 0.00 66.70 65.13 2k60 h VAL 145 Cb 1.13 2.13 0.06 0.00 -1.52 0.00 0.00 31.29 33.09 2k60 h VAL 145 CO -0.18 0.30 -0.40 -0.62 0.02 0.00 0.00 177.57 176.69 2k60 n GLU 146 N -3.03 -4.08 -3.60 1.57 1.02 -0.03 -4.99 120.64 107.50 2k60 n GLU 146 Ca -0.02 0.55 -0.40 0.00 -0.02 0.00 0.00 57.16 57.26 2k60 n GLU 146 Cb 0.72 -4.68 -0.11 0.00 -0.02 0.00 0.00 31.44 27.36 2k60 n GLU 146 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k60 s LEU 147 N -4.68 4.89 -0.02 -4.62 1.43 -1.25 -4.96 118.68 109.48 2k60 s LEU 147 Ca 0.28 -1.20 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2k60 s LEU 147 Cb -0.12 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.25 2k60 s LEU 147 CO 0.35 -0.45 0.98 -0.81 0.23 0.00 0.00 176.35 176.65 2k60 n PRO 148 N 4.97 1.60 -0.84 1.29 -0.04 -1.26 -3.50 135.00 137.22 2k60 n PRO 148 Ca -0.11 -0.65 -0.02 0.00 -0.04 0.00 0.00 63.50 62.67 2k60 n PRO 148 Cb 0.45 -1.36 0.28 0.00 -0.04 0.00 0.00 33.50 32.83 2k60 n PRO 148 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k60 n GLN 149 N 0.06 3.60 -0.35 0.54 0.00 -1.26 -4.57 117.38 115.40 2k60 n GLN 149 Ca 0.06 -2.62 0.05 0.00 0.00 0.00 0.00 57.00 54.49 2k60 n GLN 149 Cb 0.28 -2.10 0.20 0.00 0.00 0.00 0.00 30.24 28.62 2k60 n GLN 149 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 2k60 h TYR 150 N 2.59 1.12 -0.12 2.61 -0.00 -1.95 0.77 116.97 121.99 2k60 h TYR 150 Ca 0.17 0.03 -0.01 0.00 -0.00 0.00 0.00 58.73 58.92 2k60 h TYR 150 Cb 2.01 -0.36 -0.01 0.00 -0.00 0.00 0.00 36.73 38.37 2k60 h TYR 150 CO 1.06 0.50 0.05 1.49 -0.00 0.00 0.00 178.16 181.26 2k60 h GLU 151 N 1.03 0.17 -0.14 0.10 4.81 -1.92 0.87 114.58 119.50 2k60 h GLU 151 Ca 0.46 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.68 2k60 h GLU 151 Cb 0.35 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2k60 h GLU 151 CO -0.23 0.25 0.01 0.93 -0.73 0.00 0.00 179.01 179.25 2k60 h GLU 152 N 0.05 0.06 -0.30 1.92 5.08 -1.57 0.39 114.58 120.20 2k60 h GLU 152 Ca 0.04 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.30 2k60 h GLU 152 Cb 0.14 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2k60 h GLU 152 CO -0.00 0.04 -0.18 0.00 -1.00 0.00 0.00 179.01 177.86 2k60 h THR 153 N 0.06 1.30 -0.42 1.13 1.03 -0.78 0.38 112.91 115.62 2k60 h THR 153 Ca 0.06 -1.31 -0.08 0.00 -0.01 0.00 0.00 66.41 65.07 2k60 h THR 153 Cb 0.07 1.49 -0.02 0.00 -1.07 0.00 0.00 68.15 68.62 2k60 h THR 153 CO -0.10 0.42 -0.07 2.19 -0.01 0.00 0.00 175.52 177.95 2k60 h PHE 154 N 0.40 0.78 0.00 0.00 -5.15 -0.61 -0.27 116.94 112.09 2k60 h PHE 154 Ca 0.06 -0.13 -0.06 0.00 -0.20 0.00 0.00 57.97 57.65 2k60 h PHE 154 Cb 0.72 -0.21 -0.01 0.00 0.22 0.00 0.00 35.95 36.68 2k60 h PHE 154 CO 0.06 0.77 -0.27 0.07 -2.00 0.00 0.00 178.31 176.95 2k60 h ARG 155 N 0.67 0.00 0.02 6.09 0.11 -0.74 0.20 114.38 120.72 2k60 h ARG 155 Ca 0.12 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.20 2k60 h ARG 155 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2k60 h ARG 155 CO 0.03 0.27 -0.01 0.87 0.10 0.00 0.00 179.97 181.23 2k60 h LYS 156 N 0.00 -0.02 0.00 0.08 1.79 -0.01 -3.42 116.57 114.99 2k60 h LYS 156 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k60 h LYS 156 Cb 0.88 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 2k60 h LYS 156 CO 0.03 0.74 -0.37 1.47 -1.08 0.00 0.00 179.45 180.25 2k60 n LEU 157 N -4.71 0.00 -2.68 2.94 -0.00 -0.20 -5.03 117.00 107.32 2k60 n LEU 157 Ca -0.09 -0.26 -0.02 0.00 -0.00 0.00 0.00 56.01 55.65 2k60 n LEU 157 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.78 2k60 n LEU 157 CO 0.30 0.00 -0.55 0.00 -0.00 0.00 0.00 177.39 177.14 2k60 n GLN 158 N -1.07 -3.86 -2.97 1.47 6.02 0.71 -5.03 117.38 112.64 2k60 n GLN 158 Ca 0.00 3.02 -0.22 0.00 -0.01 0.00 0.00 57.00 59.78 2k60 n GLN 158 Cb 0.00 -5.32 0.01 0.00 1.02 0.00 0.00 30.24 25.96 2k60 n GLN 158 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2k60 s LEU 159 N -1.35 3.62 0.00 1.08 2.34 -1.26 -4.90 118.68 118.20 2k60 s LEU 159 Ca -0.09 0.17 0.00 0.00 0.06 0.00 0.00 54.13 54.27 2k60 s LEU 159 Cb 0.01 -3.06 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 2k60 s LEU 159 CO 0.79 -0.75 0.00 -1.54 -1.06 0.00 0.00 176.35 173.79 2k60 n SER 160 N -2.07 0.00 0.30 1.48 3.41 -1.26 -3.60 113.62 111.88 2k60 n SER 160 Ca 0.02 -0.21 0.18 0.00 -0.26 0.00 0.00 58.87 58.60 2k60 n SER 160 Cb 0.58 0.00 0.98 0.00 -0.26 0.00 0.00 64.21 65.51 2k60 n SER 160 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2k60 h GLY 161 N 0.00 0.00 1.20 5.00 0.00 -1.07 0.24 103.07 108.44 2k60 h GLY 161 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2k60 h GLY 161 CO 0.00 0.00 -1.56 0.84 0.00 0.00 0.00 176.54 175.82 2k60 h HIS 162 N 0.00 0.33 -0.15 5.60 -0.00 -1.84 -3.33 115.15 115.76 2k60 h HIS 162 Ca -0.00 -0.24 -0.12 0.00 -0.00 0.00 0.00 60.37 60.01 2k60 h HIS 162 Cb 0.12 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.41 27.50 2k60 h HIS 162 CO 0.00 1.32 -0.43 0.00 -0.00 0.00 0.00 177.93 178.82 2k60 h ALA 163 N 0.59 1.00 -0.55 5.26 0.00 -1.54 -2.05 119.26 121.97 2k60 h ALA 163 Ca -0.25 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.31 2k60 h ALA 163 Cb 1.99 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 19.59 2k60 h ALA 163 CO 0.14 0.62 -0.46 0.52 0.00 0.00 0.00 179.25 180.07 2k60 h MET 164 N 0.28 -0.25 -0.14 0.00 2.86 -0.69 0.88 114.93 117.88 2k60 h MET 164 Ca 0.02 0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.47 2k60 h MET 164 Cb 0.88 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2k60 h MET 164 CO 0.07 -0.17 -0.74 -1.00 1.06 0.00 0.00 176.91 176.13 2k60 h PRO 165 N -0.26 0.67 0.00 -0.22 0.13 -1.74 -2.28 132.00 128.30 2k60 h PRO 165 Ca 0.16 -0.53 -0.01 0.00 -0.87 0.00 0.00 66.00 64.74 2k60 h PRO 165 Cb 0.57 0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.80 2k60 h PRO 165 CO -0.67 1.15 -0.07 0.07 -0.23 0.00 0.00 178.00 178.25 2k60 h ARG 166 N 0.46 0.00 0.00 0.86 -0.00 -0.50 -1.74 114.38 113.47 2k60 h ARG 166 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.94 2k60 h ARG 166 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.32 2k60 h ARG 166 CO 0.15 0.07 -1.09 1.47 -0.00 0.00 0.00 179.97 180.57 2k60 n LEU 167 N -3.66 0.62 0.11 0.08 -0.00 0.30 -4.13 117.00 110.31 2k60 n LEU 167 Ca -0.02 -0.10 0.11 0.00 -0.00 0.00 0.00 56.01 56.00 2k60 n LEU 167 Cb 0.18 -0.08 0.46 0.00 -0.00 0.00 0.00 43.42 43.98 2k60 n LEU 167 CO 0.28 0.08 0.84 0.00 -0.00 0.00 0.00 177.39 178.60 2k60 n ALA 168 N -1.79 1.72 -3.93 1.47 0.00 -0.66 -4.42 120.51 112.89 2k60 n ALA 168 Ca 0.02 0.06 -0.34 0.00 0.00 0.00 0.00 53.44 53.18 2k60 n ALA 168 Cb 0.43 -1.37 -0.15 0.00 0.00 0.00 0.00 19.45 18.35 2k60 n ALA 168 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k60 s VAL 169 N -3.25 2.46 0.15 0.00 0.11 -1.23 -4.22 120.40 114.41 2k60 s VAL 169 Ca 0.05 -0.90 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2k60 s VAL 169 Cb 0.10 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.84 2k60 s VAL 169 CO 0.39 0.44 0.00 0.35 -3.33 0.00 0.00 175.10 172.95 2k60 n THR 170 N 4.65-13.00 0.19 5.04 -2.24 -1.26 -4.64 114.28 103.01 2k60 n THR 170 Ca -0.19 3.20 0.12 0.00 -2.27 0.00 0.00 64.05 64.90 2k60 n THR 170 Cb 0.49 -5.56 0.67 0.00 -2.10 0.00 0.00 70.33 63.84 2k60 n THR 170 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k60 h ASN 171 N 4.08 0.00 -0.54 3.42 7.08 -1.84 -2.20 115.58 125.58 2k60 h ASN 171 Ca 0.00 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.26 2k60 h ASN 171 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.21 2k60 h ASN 171 CO 0.00 0.00 0.36 0.71 -2.08 0.00 0.00 177.43 176.42 2k60 h THR 172 N 0.00 1.03 -0.21 6.14 1.35 -1.91 0.26 112.91 119.57 2k60 h THR 172 Ca 0.07 -0.19 -0.11 0.00 -0.55 0.00 0.00 66.41 65.63 2k60 h THR 172 Cb 0.28 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.12 2k60 h THR 172 CO -0.00 0.10 -0.29 0.74 -0.25 0.00 0.00 175.52 175.82 2k60 h THR 173 N 0.57 1.33 0.23 6.82 2.02 -1.66 -3.35 112.91 118.88 2k60 h THR 173 Ca 0.22 -1.50 -0.31 0.00 0.77 0.00 0.00 66.41 65.59 2k60 h THR 173 Cb 0.18 1.81 0.03 0.00 -1.74 0.00 0.00 68.15 68.43 2k60 h THR 173 CO -0.06 0.46 -1.39 -0.03 0.37 0.00 0.00 175.52 174.87 2k60 h MET 174 N 0.24 0.49 -6.18 6.66 1.85 -1.31 -3.44 114.93 113.24 2k60 h MET 174 Ca 0.02 -0.84 -0.54 0.00 -0.61 0.00 0.00 59.70 57.73 2k60 h MET 174 Cb 0.87 0.31 -0.03 0.00 0.43 0.00 0.00 31.60 33.18 2k60 h MET 174 CO 0.07 1.40 1.28 -0.08 -0.40 0.00 0.00 176.91 179.18 2k60 s THR 175 N -2.57 3.49 -0.38 -0.77 -1.32 0.79 -4.90 115.64 109.97 2k60 s THR 175 Ca -0.10 0.42 -0.18 0.00 -1.21 0.00 0.00 61.69 60.62 2k60 s THR 175 Cb 0.04 -3.87 0.01 0.00 -1.51 0.00 0.00 72.50 67.16 2k60 s THR 175 CO 0.92 -0.70 0.47 -0.83 -2.21 0.00 0.00 174.62 172.28 2k60 s GLY 176 N 6.64 1.85 0.00 6.08 0.00 -1.26 -4.80 107.32 115.82 2k60 s GLY 176 Ca 0.71 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 44.19 2k60 s GLY 176 CO 0.28 1.21 0.00 2.41 0.00 0.00 0.00 173.10 177.00 2k60 n THR 177 N 5.45 0.00 -3.56 0.90 -1.04 -1.26 -4.27 114.28 110.50 2k60 n THR 177 Ca -0.06 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.70 2k60 n THR 177 Cb 0.48 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.84 2k60 n THR 177 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2k60 s VAL 178 N 0.00 -0.14 -0.25 12.58 1.01 -1.26 -4.99 120.40 127.35 2k60 s VAL 178 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 2k60 s VAL 178 Cb 0.00 -0.73 -0.11 0.00 0.00 0.00 0.00 36.38 35.54 2k60 s VAL 178 CO 0.00 -0.40 -0.31 -0.11 0.00 0.00 0.00 175.10 174.28 2k60 n LEU 179 N 5.28 1.87 -3.76 3.92 7.94 -1.26 -4.97 117.00 126.02 2k60 n LEU 179 Ca -0.06 0.26 -0.13 0.00 -1.11 0.00 0.00 56.01 54.97 2k60 n LEU 179 Cb 0.47 -0.74 -0.09 0.00 0.53 0.00 0.00 43.42 43.59 2k60 n LEU 179 CO 0.07 0.55 0.02 -0.75 -1.11 0.00 0.00 177.39 176.18 2k60 s LYS 180 N -2.46 0.57 -0.10 1.96 2.47 -1.26 -4.86 119.74 116.06 2k60 s LYS 180 Ca -0.34 0.07 -0.21 0.00 -1.56 0.00 0.00 55.97 53.93 2k60 s LYS 180 Cb 0.13 0.26 -0.18 0.00 -1.46 0.00 0.00 37.83 36.58 2k60 s LYS 180 CO 0.45 -0.13 0.68 0.52 0.16 0.00 0.00 175.35 177.02 2k60 h MET 181 N 4.53 -0.05 -6.36 4.03 2.86 -2.01 -3.41 114.93 114.51 2k60 h MET 181 Ca -0.28 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.81 2k60 h MET 181 Cb 1.18 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.80 2k60 h MET 181 CO 0.36 0.56 1.15 0.95 1.06 0.00 0.00 176.91 180.99 2k60 s THR 182 N -2.54 3.71 0.24 2.22 -4.23 -1.26 -4.85 115.64 108.94 2k60 s THR 182 Ca -0.13 0.64 -0.01 0.00 -1.18 0.00 0.00 61.69 61.00 2k60 s THR 182 Cb -0.01 -4.19 0.05 0.00 1.34 0.00 0.00 72.50 69.69 2k60 s THR 182 CO 0.49 -0.92 1.67 -2.24 -0.54 0.00 0.00 174.62 173.09 2k60 h ASP 183 N 11.77 0.66 -0.04 3.99 2.03 -1.99 0.61 116.42 133.46 2k60 h ASP 183 Ca -0.28 -0.23 -0.01 0.00 -0.73 0.00 0.00 57.03 55.79 2k60 h ASP 183 Cb 1.12 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 39.43 2k60 h ASP 183 CO 1.14 0.87 -0.00 -0.09 -1.03 0.00 0.00 179.24 180.13 2k60 h ARG 184 N 0.58 0.07 -0.58 4.15 2.43 -1.97 0.31 114.38 119.36 2k60 h ARG 184 Ca 0.08 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 2k60 h ARG 184 Cb 0.69 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.21 2k60 h ARG 184 CO 0.05 0.36 0.15 1.03 -1.51 0.00 0.00 179.97 180.05 2k60 h SER 185 N -0.24 0.83 0.35 -3.80 0.87 -1.91 0.95 113.55 110.60 2k60 h SER 185 Ca 0.01 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2k60 h SER 185 Cb 0.33 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 2k60 h SER 185 CO 0.00 0.81 -0.17 -0.74 -0.53 0.00 0.00 176.83 176.20 2k60 h HIS 186 N 0.86 -0.44 0.00 2.24 -0.00 -0.70 0.19 115.15 117.30 2k60 h HIS 186 Ca 0.19 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.51 2k60 h HIS 186 Cb 0.30 0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.85 2k60 h HIS 186 CO 0.02 -0.22 -0.19 0.07 -0.00 0.00 0.00 177.93 177.61 2k60 h ARG 187 N -0.57 0.00 0.13 5.26 0.11 -0.57 -0.46 114.38 118.28 2k60 h ARG 187 Ca -0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.03 2k60 h ARG 187 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 2k60 h ARG 187 CO 0.08 0.19 -0.06 1.96 0.10 0.00 0.00 179.97 182.24 2k60 h GLN 188 N 0.00 -0.17 -0.25 0.08 1.08 -0.36 -0.23 115.11 115.26 2k60 h GLN 188 Ca -0.00 0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2k60 h GLN 188 Cb 0.37 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2k60 h GLN 188 CO 0.03 0.26 0.16 0.87 -0.95 0.00 0.00 178.83 179.19 2k60 h LYS 189 N -0.69 0.34 -0.32 1.46 1.79 -0.31 0.15 116.57 118.99 2k60 h LYS 189 Ca -0.02 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 2k60 h LYS 189 Cb 0.51 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2k60 h LYS 189 CO 0.03 0.26 0.03 -0.07 -1.08 0.00 0.00 179.45 178.62 2k60 h LEU 190 N 0.32 0.53 -0.77 2.94 -0.00 -1.18 -1.47 115.31 115.68 2k60 h LEU 190 Ca 0.09 -0.28 -0.05 0.00 -0.00 0.00 0.00 57.88 57.64 2k60 h LEU 190 Cb 0.00 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.49 2k60 h LEU 190 CO -0.02 0.68 0.30 0.06 -0.00 0.00 0.00 178.44 179.46 2k60 h GLN 191 N 0.36 1.16 0.23 1.13 3.07 -0.80 0.31 115.11 120.57 2k60 h GLN 191 Ca 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 58.65 58.60 2k60 h GLN 191 Cb 0.39 -0.18 0.00 0.00 0.08 0.00 0.00 27.48 27.77 2k60 h GLN 191 CO 0.01 0.95 -0.11 -0.07 0.09 0.00 0.00 178.83 179.70 2k60 h LEU 192 N 1.12 -0.27 -0.01 0.06 -0.00 -0.75 0.18 115.31 115.65 2k60 h LEU 192 Ca 0.26 -0.05 -0.14 0.00 -0.00 0.00 0.00 57.88 57.95 2k60 h LEU 192 Cb 0.23 0.07 0.01 0.00 -0.00 0.00 0.00 40.66 40.97 2k60 h LEU 192 CO -0.02 -0.13 -0.54 0.11 -0.00 0.00 0.00 178.44 177.87 2k60 h LYS 193 N -0.39 0.38 -0.41 1.13 6.56 -1.13 -1.60 116.57 121.12 2k60 h LYS 193 Ca -0.03 -0.40 -0.11 0.00 -1.06 0.00 0.00 60.65 59.05 2k60 h LYS 193 Cb 0.30 0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 32.06 2k60 h LYS 193 CO 0.05 1.07 -0.19 0.00 -2.06 0.00 0.00 179.45 178.32 2k60 h ALA 194 N 0.32 0.57 -0.19 3.86 0.00 -0.41 0.38 119.26 123.79 2k60 h ALA 194 Ca -0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 2k60 h ALA 194 Cb 1.25 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2k60 h ALA 194 CO 0.11 0.53 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 2k60 h LEU 195 N 0.66 0.44 -1.79 0.00 5.85 -0.71 0.34 115.31 120.09 2k60 h LEU 195 Ca 0.09 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.37 2k60 h LEU 195 Cb 0.75 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2k60 h LEU 195 CO 0.06 0.78 0.09 -0.78 -0.34 0.00 0.00 178.44 178.25 2k60 h ASP 196 N 0.10 0.20 -0.00 1.25 3.58 -1.21 -0.65 116.42 119.68 2k60 h ASP 196 Ca 0.04 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.39 2k60 h ASP 196 Cb 0.63 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.63 2k60 h ASP 196 CO 0.03 0.16 -0.34 0.74 -2.88 0.00 0.00 179.24 176.96 2k60 h THR 197 N 0.24 1.51 0.00 2.25 2.02 -0.50 0.20 112.91 118.64 2k60 h THR 197 Ca 0.06 -1.97 -0.04 0.00 0.77 0.00 0.00 66.41 65.22 2k60 h THR 197 Cb 0.01 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2k60 h THR 197 CO -0.01 0.55 -0.21 -0.37 0.37 0.00 0.00 175.52 175.85 2k60 h VAL 198 N -0.39 0.60 0.00 3.16 -1.51 0.03 -1.22 116.25 116.92 2k60 h VAL 198 Ca -0.04 -0.97 -0.17 0.00 -1.23 0.00 0.00 66.70 64.29 2k60 h VAL 198 Cb 1.08 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 31.86 2k60 h VAL 198 CO 0.07 0.21 -1.06 0.18 -1.23 0.00 0.00 177.57 175.73 2k60 n LEU 199 N -3.50 1.85 -0.08 4.19 4.77 -0.28 -4.66 117.00 119.28 2k60 n LEU 199 Ca -0.01 0.48 -0.09 0.00 -0.03 0.00 0.00 56.01 56.37 2k60 n LEU 199 Cb 0.37 -0.94 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 2k60 n LEU 199 CO 0.33 0.06 -0.66 0.33 -1.33 0.00 0.00 177.39 176.12 2k60 n PHE 200 N -4.48 0.00 -0.52 -1.77 7.35 0.60 -4.93 117.46 113.71 2k60 n PHE 200 Ca -0.25 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 2k60 n PHE 200 Cb 0.56 -0.48 0.00 0.00 0.35 0.00 0.00 39.48 39.91 2k60 n PHE 200 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41