#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3in6 n LEU 2 N 0.00 0.00 -0.17 0.99 7.94 -1.26 -1.85 117.00 122.65 3in6 n LEU 2 Ca 0.00 0.00 -0.06 0.00 -1.11 0.00 0.00 56.01 54.84 3in6 n LEU 2 Cb 0.00 0.00 0.10 0.00 0.53 0.00 0.00 43.42 44.05 3in6 n LEU 2 CO 0.00 0.00 0.88 -0.33 -1.11 0.00 0.00 177.39 176.83 3in6 h GLU 3 N 0.00 0.95 -0.04 1.96 3.07 -2.05 -1.44 114.58 117.03 3in6 h GLU 3 Ca 0.00 -0.26 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 3in6 h GLU 3 Cb 0.00 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.80 3in6 h GLU 3 CO 0.00 0.92 0.00 0.77 -1.40 0.00 0.00 179.01 179.30 3in6 h SER 4 N 0.88 0.06 -0.54 1.42 0.02 -1.81 -1.19 113.55 112.40 3in6 h SER 4 Ca 0.17 -0.29 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3in6 h SER 4 Cb 0.47 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 3in6 h SER 4 CO 0.02 0.34 0.09 0.58 -1.14 0.00 0.00 176.83 176.72 3in6 h VAL 5 N -0.21 1.25 -0.57 2.27 2.07 -1.82 -1.43 116.25 117.80 3in6 h VAL 5 Ca 0.01 -0.96 -0.09 0.00 0.82 0.00 0.00 66.70 66.48 3in6 h VAL 5 Cb 0.31 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 3in6 h VAL 5 CO 0.00 0.35 -0.02 -0.09 0.02 0.00 0.00 177.57 177.84 3in6 h ARG 6 N 0.89 1.00 -0.44 1.57 2.43 -1.24 -0.27 114.38 118.32 3in6 h ARG 6 Ca 0.18 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.95 3in6 h ARG 6 Cb 0.39 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3in6 h ARG 6 CO 0.01 1.00 -0.08 -0.22 -1.51 0.00 0.00 179.97 179.16 3in6 h LYS 7 N 0.92 0.78 -0.16 0.20 1.63 -0.78 -1.61 116.57 117.55 3in6 h LYS 7 Ca 0.16 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 3in6 h LYS 7 Cb 0.56 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3in6 h LYS 7 CO 0.03 0.84 0.04 1.49 -3.45 0.00 0.00 179.45 178.41 3in6 h GLU 8 N 0.71 0.26 -0.40 1.90 4.81 -0.92 -2.26 114.58 118.68 3in6 h GLU 8 Ca 0.13 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 3in6 h GLU 8 Cb 0.56 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.85 3in6 h GLU 8 CO 0.03 0.40 0.13 2.35 -0.73 0.00 0.00 179.01 181.19 3in6 h TRP 9 N 0.07 0.23 -0.75 0.92 7.01 -0.76 -1.28 115.95 121.39 3in6 h TRP 9 Ca 0.05 0.02 0.10 0.00 2.11 0.00 0.00 58.89 61.17 3in6 h TRP 9 Cb 0.25 -0.04 -0.07 0.00 -2.10 0.00 0.00 29.16 27.20 3in6 h TRP 9 CO 0.01 0.08 0.39 -0.07 -2.79 0.00 0.00 178.44 176.06 3in6 h LEU 10 N 0.28 0.52 -0.30 0.65 -0.00 -1.21 -2.88 115.31 112.38 3in6 h LEU 10 Ca 0.19 0.06 -0.03 0.00 -0.00 0.00 0.00 57.88 58.09 3in6 h LEU 10 Cb 0.18 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 3in6 h LEU 10 CO -0.20 0.29 0.05 -0.33 -0.00 0.00 0.00 178.44 178.25 3in6 h GLU 11 N 0.65 0.49 -0.79 1.13 4.39 -0.70 0.20 114.58 119.95 3in6 h GLU 11 Ca 0.37 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3in6 h GLU 11 Cb 0.39 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 3in6 h GLU 11 CO -0.27 0.59 0.00 -0.89 -1.16 0.00 0.00 179.01 177.28 3in6 n ILE 12 N -4.64 0.06 0.00 3.13 2.08 -0.58 -1.50 119.36 117.91 3in6 n ILE 12 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 3in6 n ILE 12 Cb 0.21 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 38.83 3in6 n ILE 12 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3in6 n ASP 14 N 0.61 0.00 -0.30 4.38 8.00 0.70 -1.55 116.55 128.39 3in6 n ASP 14 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 3in6 n ASP 14 Cb 0.05 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.25 3in6 n ASP 14 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 3in6 h ARG 15 N 0.00 1.19 -0.31 -1.24 9.65 -1.52 0.47 114.38 122.62 3in6 h ARG 15 Ca 0.00 -0.17 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 3in6 h ARG 15 Cb 0.00 -0.22 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 3in6 h ARG 15 CO 0.00 0.91 0.20 0.93 2.80 0.00 0.00 179.97 184.80 3in6 h GLU 16 N 1.18 0.42 -0.38 0.20 4.39 -1.55 -1.03 114.58 117.82 3in6 h GLU 16 Ca 0.29 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 3in6 h GLU 16 Cb 0.10 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.65 3in6 h GLU 16 CO -0.04 0.30 0.09 -0.07 -1.16 0.00 0.00 179.01 178.13 3in6 h LEU 17 N 0.41 0.58 -0.79 1.33 3.38 -1.70 -1.69 115.31 116.83 3in6 h LEU 17 Ca 0.11 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3in6 h LEU 17 Cb -0.02 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3in6 h LEU 17 CO -0.02 0.66 0.51 -0.07 0.09 0.00 0.00 178.44 179.61 3in6 h LEU 18 N 0.47 0.85 -0.26 1.67 3.38 -0.77 -0.52 115.31 120.12 3in6 h LEU 18 Ca 0.12 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 3in6 h LEU 18 Cb 0.31 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3in6 h LEU 18 CO 0.00 0.59 -0.43 -0.33 0.09 0.00 0.00 178.44 178.36 3in6 h GLU 19 N 1.00 0.76 -0.74 1.13 4.39 -1.02 -0.06 114.58 120.04 3in6 h GLU 19 Ca 0.31 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.52 3in6 h GLU 19 Cb -0.02 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3in6 h GLU 19 CO -0.10 1.09 0.37 -0.22 -1.16 0.00 0.00 179.01 178.99 3in6 h LYS 20 N 0.50 1.05 -0.28 2.33 3.64 -1.17 -1.66 116.57 120.97 3in6 h LYS 20 Ca 0.02 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 3in6 h LYS 20 Cb 1.03 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 3in6 h LYS 20 CO 0.10 0.81 0.11 0.00 -2.27 0.00 0.00 179.45 178.20 3in6 h ALA 21 N 1.18 0.37 -0.19 5.00 0.00 -1.00 -2.27 119.26 122.36 3in6 h ALA 21 Ca 0.25 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 3in6 h ALA 21 Cb 0.09 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3in6 h ALA 21 CO -0.03 -0.02 -0.21 -0.09 0.00 0.00 0.00 179.25 178.89 3in6 h ARG 22 N 0.31 -0.23 0.07 0.00 2.43 -0.64 0.73 114.38 117.05 3in6 h ARG 22 Ca 0.09 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3in6 h ARG 22 Cb 0.20 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3in6 h ARG 22 CO -0.01 -0.15 -0.03 0.77 -1.51 0.00 0.00 179.97 179.04 3in6 h SER 23 N -0.24 -0.08 -0.40 -3.80 0.02 -1.24 -1.82 113.55 106.00 3in6 h SER 23 Ca 0.12 -0.01 -0.14 0.00 -0.84 0.00 0.00 61.79 60.92 3in6 h SER 23 Cb 0.41 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3in6 h SER 23 CO -0.33 -0.04 -0.29 -0.07 -1.14 0.00 0.00 176.83 174.96 3in6 h LEU 24 N -0.10 0.94 0.23 5.07 3.38 -1.17 -1.99 115.31 121.67 3in6 h LEU 24 Ca -0.01 -0.44 -0.01 0.00 0.09 0.00 0.00 57.88 57.51 3in6 h LEU 24 Cb 0.08 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3in6 h LEU 24 CO 0.02 1.18 -0.11 0.40 0.09 0.00 0.00 178.44 180.01 3in6 h ILE 25 N 0.72 0.84 0.00 1.22 1.08 -0.88 -3.20 117.51 117.29 3in6 h ILE 25 Ca 0.08 -0.46 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 3in6 h ILE 25 Cb 0.87 1.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 3in6 h ILE 25 CO 0.08 0.10 -0.02 0.78 -0.69 0.00 0.00 178.15 178.40 3in6 h ASN 26 N -0.55 0.00 0.54 1.72 2.35 -1.33 -1.81 115.58 116.51 3in6 h ASN 26 Ca -0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 3in6 h ASN 26 Cb 0.40 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3in6 h ASN 26 CO 0.05 0.02 -0.17 0.00 -1.65 0.00 0.00 177.43 175.68 3in6 h ALA 27 N 1.98 1.20 -5.55 -0.83 0.00 -1.35 -3.48 119.26 111.22 3in6 h ALA 27 Ca -0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 54.91 54.47 3in6 h ALA 27 Cb 0.35 -0.03 0.18 0.00 0.00 0.00 0.00 17.79 18.30 3in6 h ALA 27 CO 0.00 0.21 -0.83 0.09 0.00 0.00 0.00 179.25 178.73 3in6 n ASN 28 N -3.58 -4.74 -4.78 0.00 5.03 -0.68 -4.98 115.26 101.54 3in6 n ASN 28 Ca -0.01 -0.68 -0.35 0.00 0.87 0.00 0.00 54.58 54.40 3in6 n ASN 28 Cb 0.31 -5.13 -0.01 0.00 -1.02 0.00 0.00 39.78 33.93 3in6 n ASN 28 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 3in6 s TYR 29 N -3.39 2.85 0.26 3.10 2.02 -1.26 -4.92 117.35 116.01 3in6 s TYR 29 Ca 0.27 1.56 -0.03 0.00 -0.37 0.00 0.00 57.07 58.51 3in6 s TYR 29 Cb -0.04 -3.25 0.42 0.00 -0.40 0.00 0.00 41.96 38.69 3in6 s TYR 29 CO 0.74 -1.31 1.85 0.82 -1.57 0.00 0.00 175.55 176.09 3in6 h ILE 30 N 1.53 1.01 0.00 2.71 2.04 -1.96 -3.12 117.51 119.73 3in6 h ILE 30 Ca -0.50 -0.35 -0.60 0.00 1.00 0.00 0.00 64.86 64.41 3in6 h ILE 30 Cb 1.24 -0.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3in6 h ILE 30 CO 0.59 0.19 3.25 -1.54 0.00 0.00 0.00 178.15 180.63 3in6 n SER 31 N -4.59 8.22 -4.04 1.72 3.41 -1.26 -4.79 113.62 112.29 3in6 n SER 31 Ca 0.15 -2.55 -0.23 0.00 -0.26 0.00 0.00 58.87 55.98 3in6 n SER 31 Cb 0.23 -1.53 -0.16 0.00 -0.26 0.00 0.00 64.21 62.49 3in6 n SER 31 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3in6 s THR 32 N 2.03 1.03 0.15 6.66 2.01 -1.18 -2.41 115.64 123.93 3in6 s THR 32 Ca 0.69 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 62.24 3in6 s THR 32 Cb 0.20 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.75 3in6 s THR 32 CO -0.05 0.32 -0.04 0.42 -0.69 0.00 0.00 174.62 174.58 3in6 s THR 33 N 0.30 0.78 -0.15 -0.82 -4.23 -1.26 -1.70 115.64 108.56 3in6 s THR 33 Ca -0.06 -1.98 -0.01 0.00 -1.18 0.00 0.00 61.69 58.46 3in6 s THR 33 Cb -0.11 -1.95 0.04 0.00 1.34 0.00 0.00 72.50 71.82 3in6 s THR 33 CO 0.02 -0.64 -0.05 -0.22 -0.54 0.00 0.00 174.62 173.19 3in6 s LEU 34 N -3.14 1.38 -0.16 4.79 2.96 -0.34 -4.18 118.68 119.99 3in6 s LEU 34 Ca 0.19 -0.53 -0.09 0.00 -0.22 0.00 0.00 54.13 53.48 3in6 s LEU 34 Cb 0.05 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 3in6 s LEU 34 CO 0.01 -0.18 0.14 -0.44 -1.32 0.00 0.00 176.35 174.57 3in6 s SER 35 N 1.70 6.31 0.38 3.68 0.01 -0.24 -2.17 113.70 123.37 3in6 s SER 35 Ca 0.02 0.36 0.04 0.00 1.31 0.00 0.00 55.95 57.69 3in6 s SER 35 Cb -0.14 -2.09 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 3in6 s SER 35 CO -0.08 0.29 0.16 0.42 0.41 0.00 0.00 173.24 174.44 3in6 s THR 36 N -0.32 0.46 0.01 1.44 -4.23 0.67 -1.48 115.64 112.19 3in6 s THR 36 Ca 0.12 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.47 3in6 s THR 36 Cb -0.12 -2.41 0.03 0.00 1.34 0.00 0.00 72.50 71.34 3in6 s THR 36 CO 0.01 0.00 0.35 0.54 -0.54 0.00 0.00 174.62 174.98 3in6 s VAL 37 N -3.32 0.06 0.57 2.29 0.11 -1.26 -0.73 120.40 118.12 3in6 s VAL 37 Ca 0.29 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.92 3in6 s VAL 37 Cb 0.03 -0.78 0.07 0.00 -1.53 0.00 0.00 36.38 34.17 3in6 s VAL 37 CO 0.17 -0.27 0.65 1.51 -3.33 0.00 0.00 175.10 173.83 3in6 s ASP 38 N -1.63 4.91 0.62 3.54 -4.77 -0.61 -4.47 116.67 114.26 3in6 s ASP 38 Ca -0.10 -1.02 0.35 0.00 -3.30 0.00 0.00 52.55 48.48 3in6 s ASP 38 Cb -0.03 0.38 2.02 0.00 -1.09 0.00 0.00 42.92 44.21 3in6 s ASP 38 CO 0.02 -1.27 2.29 0.08 0.70 0.00 0.00 175.17 176.98 3in6 h ARG 39 N 0.38 0.00 -0.61 2.11 0.11 -1.91 -1.15 114.38 113.32 3in6 h ARG 39 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 3in6 h ARG 39 Cb 1.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.37 3in6 h ARG 39 CO 0.47 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.63 3in6 n ASN 40 N -3.60 3.56 -0.06 0.08 4.13 -1.26 -4.94 115.26 113.17 3in6 n ASN 40 Ca -0.03 -2.20 -0.01 0.00 1.68 0.00 0.00 54.58 54.02 3in6 n ASN 40 Cb 0.08 -0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 37.86 3in6 n ASN 40 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 3in6 n TYR 41 N 1.00 0.00 -2.48 3.10 4.01 -0.43 -4.99 117.16 117.37 3in6 n TYR 41 Ca 0.20 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.51 3in6 n TYR 41 Cb 0.63 -0.60 -0.02 0.00 -0.31 0.00 0.00 39.34 39.03 3in6 n TYR 41 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3in6 s GLU 42 N -0.79 4.25 -0.01 -0.72 8.01 -1.26 -4.80 118.70 123.39 3in6 s GLU 42 Ca 0.00 1.60 -0.12 0.00 0.01 0.00 0.00 54.97 56.46 3in6 s GLU 42 Cb 0.00 -3.72 -0.05 0.00 -4.31 0.00 0.00 34.13 26.05 3in6 s GLU 42 CO 0.00 -0.66 0.35 0.08 0.01 0.00 0.00 175.26 175.04 3in6 s VAL 43 N 3.28 5.14 0.20 2.63 1.01 -1.26 -1.58 120.40 129.83 3in6 s VAL 43 Ca 0.53 0.62 0.08 0.00 0.00 0.00 0.00 61.98 63.20 3in6 s VAL 43 Cb -0.21 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3in6 s VAL 43 CO 0.14 0.52 -0.15 0.21 0.00 0.00 0.00 175.10 175.82 3in6 s ASN 44 N -1.23 2.62 -0.02 3.32 2.47 0.09 -4.97 114.94 117.23 3in6 s ASN 44 Ca 0.24 -1.01 -0.03 0.00 0.42 0.00 0.00 52.86 52.49 3in6 s ASN 44 Cb -0.15 -0.14 0.00 0.00 -1.45 0.00 0.00 41.25 39.51 3in6 s ASN 44 CO 0.13 -0.15 0.07 -0.51 -3.72 0.00 0.00 177.10 172.91 3in6 s ILE 45 N -2.88 0.01 -0.00 -5.21 2.07 -1.26 -0.24 121.20 113.69 3in6 s ILE 45 Ca 0.22 -0.12 -0.10 0.00 -1.41 0.00 0.00 60.65 59.24 3in6 s ILE 45 Cb -0.01 -0.14 0.01 0.00 0.13 0.00 0.00 42.46 42.45 3in6 s ILE 45 CO 0.07 -0.07 0.21 0.00 -1.91 0.00 0.00 174.94 173.24 3in6 s ALA 46 N -0.18 -0.50 -0.04 1.50 0.00 -0.92 -5.00 121.76 116.62 3in6 s ALA 46 Ca -0.02 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.67 3in6 s ALA 46 Cb -0.02 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 3in6 s ALA 46 CO 0.00 -0.24 1.17 0.08 0.00 0.00 0.00 175.76 176.77 3in6 s VAL 47 N -1.43 4.31 -0.24 0.00 1.01 -1.26 -1.20 120.40 121.59 3in6 s VAL 47 Ca -0.14 1.63 -0.03 0.00 0.00 0.00 0.00 61.98 63.44 3in6 s VAL 47 Cb -0.06 -4.05 0.10 0.00 0.00 0.00 0.00 36.38 32.37 3in6 s VAL 47 CO 0.02 0.02 0.21 -0.63 0.00 0.00 0.00 175.10 174.73 3in6 s ILE 48 N 1.98 -0.28 -0.10 2.22 -1.09 -0.69 -4.92 121.20 118.31 3in6 s ILE 48 Ca 0.55 -0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.67 3in6 s ILE 48 Cb -0.24 -0.79 -0.01 0.00 -1.58 0.00 0.00 42.46 39.83 3in6 s ILE 48 CO 0.23 -0.36 0.20 -1.54 -1.23 0.00 0.00 174.94 172.23 3in6 n SER 49 N 5.30 0.36 -4.53 3.58 3.41 -1.26 -4.34 113.62 116.14 3in6 n SER 49 Ca -0.05 -0.68 -0.43 0.00 -0.26 0.00 0.00 58.87 57.45 3in6 n SER 49 Cb 0.47 0.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.15 3in6 n SER 49 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3in6 n VAL 50 N -0.72 3.99 -4.26 -3.33 0.31 -1.26 -4.62 118.33 108.44 3in6 n VAL 50 Ca 0.00 -4.20 -0.15 0.00 -0.01 0.00 0.00 64.34 59.99 3in6 n VAL 50 Cb 0.03 -2.38 -0.10 0.00 -0.91 0.00 0.00 33.84 30.48 3in6 n VAL 50 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3in6 s LEU 51 N 3.66 2.46 0.00 7.52 1.43 -1.26 -1.80 118.68 130.69 3in6 s LEU 51 Ca 0.52 -1.05 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3in6 s LEU 51 Cb 0.03 -0.32 0.00 0.00 0.03 0.00 0.00 46.19 45.93 3in6 s LEU 51 CO 0.06 -0.37 0.00 1.21 0.23 0.00 0.00 176.35 177.48 3in6 n GLU 52 N -0.24 0.00 0.00 1.70 2.13 -0.56 -4.64 120.64 119.03 3in6 n GLU 52 Ca -0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.73 3in6 n GLU 52 Cb 0.61 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.32 3in6 n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3in6 n ILE 54 N 0.00 0.00 -3.47 6.31 5.41 -0.00 -0.38 119.36 127.23 3in6 n ILE 54 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3in6 n ILE 54 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3in6 n ILE 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3in6 n GLY 55 N 0.00 2.46 0.01 7.39 0.00 -1.26 -2.36 105.19 111.42 3in6 n GLY 55 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3in6 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3in6 n ASP 56 N 2.77 0.82 0.00 1.61 8.00 -1.26 -4.79 116.55 123.70 3in6 n ASP 56 Ca 0.00 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.59 3in6 n ASP 56 Cb 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3in6 n ASP 56 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3in6 n ASP 57 N -0.20 0.79 -3.97 -2.24 5.68 -1.24 -4.85 116.55 110.53 3in6 n ASP 57 Ca 0.00 -1.10 -0.17 0.00 -0.50 0.00 0.00 54.79 53.03 3in6 n ASP 57 Cb 0.01 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.84 3in6 n ASP 57 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3in6 s THR 58 N -0.10 0.49 -0.06 2.12 2.01 -1.00 -0.95 115.64 118.15 3in6 s THR 58 Ca 0.00 -0.26 0.03 0.00 0.31 0.00 0.00 61.69 61.77 3in6 s THR 58 Cb 0.00 -0.42 0.01 0.00 0.01 0.00 0.00 72.50 72.10 3in6 s THR 58 CO 0.00 0.14 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.30 3in6 s ILE 59 N -0.10 1.31 0.13 1.82 1.01 -0.59 -0.82 121.20 123.95 3in6 s ILE 59 Ca 0.02 -0.60 0.08 0.00 0.00 0.00 0.00 60.65 60.15 3in6 s ILE 59 Cb -0.03 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 3in6 s ILE 59 CO -0.00 0.39 -0.13 0.27 0.00 0.00 0.00 174.94 175.47 3in6 s ILE 60 N 0.48 3.12 -0.14 2.92 -4.36 0.49 0.65 121.20 124.36 3in6 s ILE 60 Ca -0.13 -1.45 -0.11 0.00 -0.26 0.00 0.00 60.65 58.70 3in6 s ILE 60 Cb -0.15 -2.47 0.04 0.00 1.25 0.00 0.00 42.46 41.13 3in6 s ILE 60 CO 0.04 0.05 0.36 0.00 0.24 0.00 0.00 174.94 175.64 3in6 s ALA 62 N 0.53 3.32 -0.38 0.00 0.00 -0.75 -0.97 121.76 123.51 3in6 s ALA 62 Ca -0.03 0.37 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 3in6 s ALA 62 Cb -0.04 -3.32 0.06 0.00 0.00 0.00 0.00 23.12 19.81 3in6 s ALA 62 CO -0.03 -0.41 0.19 0.50 0.00 0.00 0.00 175.76 176.00 3in6 s ARG 63 N 1.51 2.59 0.00 0.00 3.00 0.15 -4.86 118.95 121.35 3in6 s ARG 63 Ca 0.47 -1.33 0.00 0.00 -1.00 0.00 0.00 55.73 53.88 3in6 s ARG 63 Cb -0.19 -3.63 0.00 0.00 0.00 0.00 0.00 34.95 31.13 3in6 s ARG 63 CO 0.21 -0.82 0.00 1.97 0.00 0.00 0.00 175.30 176.67 3in6 n PHE 64 N 4.86 0.00 0.00 5.12 -1.74 -1.26 -0.88 117.46 123.56 3in6 n PHE 64 Ca -0.11 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.78 3in6 n PHE 64 Cb 0.44 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.44 3in6 n PHE 64 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3in6 n GLY 65 N 2.86 1.84 4.07 4.97 0.00 -1.26 -4.85 105.19 112.81 3in6 n GLY 65 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3in6 n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3in6 n ALA 66 N -3.00 -2.09 0.00 4.61 0.00 -1.26 -4.89 120.51 113.88 3in6 n ALA 66 Ca 0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 3in6 n ALA 66 Cb 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 19.45 17.88 3in6 n ALA 66 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3in6 h ASP 67 N -1.88 0.07 -0.21 0.00 3.32 -1.99 -1.03 116.42 114.70 3in6 h ASP 67 Ca -0.65 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 56.21 3in6 h ASP 67 Cb 1.39 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3in6 h ASP 67 CO 0.64 0.20 -0.05 0.50 -1.72 0.00 0.00 179.24 178.81 3in6 h LYS 68 N -0.06 0.41 -0.70 3.56 1.63 -1.99 -1.03 116.57 118.40 3in6 h LYS 68 Ca 0.02 -0.15 0.14 0.00 -0.85 0.00 0.00 60.65 59.81 3in6 h LYS 68 Cb 0.15 -0.02 -0.10 0.00 -0.60 0.00 0.00 32.23 31.65 3in6 h LYS 68 CO -0.00 0.65 0.19 1.15 -3.45 0.00 0.00 179.45 177.99 3in6 h THR 69 N 0.14 0.59 -0.15 1.00 2.02 -1.95 0.13 112.91 114.69 3in6 h THR 69 Ca 0.05 -0.11 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 3in6 h THR 69 Cb 0.49 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 3in6 h THR 69 CO 0.02 0.06 0.00 0.22 0.37 0.00 0.00 175.52 176.19 3in6 h TYR 70 N 0.31 0.29 -0.82 3.16 3.20 -1.01 -1.54 116.97 120.56 3in6 h TYR 70 Ca 0.38 -0.05 0.05 0.00 3.14 0.00 0.00 58.73 62.25 3in6 h TYR 70 Cb 0.61 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 3in6 h TYR 70 CO -0.23 0.49 0.51 0.00 -1.64 0.00 0.00 178.16 177.29 3in6 h ALA 71 N 0.77 1.10 -0.03 1.82 0.00 -0.58 -1.80 119.26 120.53 3in6 h ALA 71 Ca 0.04 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3in6 h ALA 71 Cb 0.37 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3in6 h ALA 71 CO 0.01 0.29 0.02 -0.91 0.00 0.00 0.00 179.25 178.65 3in6 h ASN 72 N 0.96 0.04 -0.88 0.00 2.35 -0.63 -2.20 115.58 115.23 3in6 h ASN 72 Ca 0.34 -0.04 0.09 0.00 -0.55 0.00 0.00 56.30 56.15 3in6 h ASN 72 Cb 0.10 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.39 3in6 h ASN 72 CO -0.15 0.07 0.57 -0.07 -1.65 0.00 0.00 177.43 176.20 3in6 h LEU 73 N 0.01 0.80 -0.81 1.61 3.38 -0.94 0.14 115.31 119.50 3in6 h LEU 73 Ca 0.01 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3in6 h LEU 73 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3in6 h LEU 73 CO -0.00 0.48 -0.33 0.11 0.09 0.00 0.00 178.44 178.79 3in6 h LYS 74 N 0.89 0.00 0.05 1.13 1.79 -1.15 0.30 116.57 119.58 3in6 h LYS 74 Ca 0.40 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.80 3in6 h LYS 74 Cb 0.38 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 3in6 h LYS 74 CO -0.17 0.33 -0.35 0.93 -1.08 0.00 0.00 179.45 179.11 3in6 h GLU 75 N 0.00 0.10 0.00 3.15 5.08 -0.27 -3.43 114.58 119.21 3in6 h GLU 75 Ca -0.00 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3in6 h GLU 75 Cb 0.93 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 3in6 h GLU 75 CO 0.04 1.08 -1.26 0.25 -1.00 0.00 0.00 179.01 178.12 3in6 n THR 76 N -4.43 0.15 -0.75 1.13 -2.24 0.25 -4.86 114.28 103.53 3in6 n THR 76 Ca -0.13 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 3in6 n THR 76 Cb 0.61 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3in6 n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3in6 n GLY 77 N 2.48 1.02 3.70 3.38 0.00 0.11 -4.99 105.19 110.88 3in6 n GLY 77 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3in6 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3in6 s LYS 78 N -0.19 2.75 0.26 1.61 1.02 -1.26 -0.22 119.74 123.71 3in6 s LYS 78 Ca 0.00 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.12 3in6 s LYS 78 Cb 0.00 -2.65 0.06 0.00 -0.52 0.00 0.00 37.83 34.71 3in6 s LYS 78 CO 0.00 0.60 0.89 0.20 -0.92 0.00 0.00 175.35 176.12 3in6 s GLY 79 N -1.82 0.09 -0.13 -3.33 0.00 -0.89 -4.23 107.32 97.02 3in6 s GLY 79 Ca 0.22 -0.37 -0.05 0.00 0.00 0.00 0.00 44.72 44.51 3in6 s GLY 79 CO 0.13 0.59 0.28 0.54 0.00 0.00 0.00 173.10 174.64 3in6 s VAL 80 N -2.73 -0.25 0.17 1.40 0.11 -0.55 -1.34 120.40 117.21 3in6 s VAL 80 Ca 0.16 0.21 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 3in6 s VAL 80 Cb -0.04 -0.44 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 3in6 s VAL 80 CO 0.07 0.09 0.24 0.49 -3.33 0.00 0.00 175.10 172.65 3in6 n PHE 81 N 4.83 -3.50 -3.62 1.54 3.72 0.80 -1.08 117.46 120.15 3in6 n PHE 81 Ca -0.15 -0.34 -0.14 0.00 -0.05 0.00 0.00 57.45 56.77 3in6 n PHE 81 Cb 0.51 -0.18 -0.07 0.00 -0.94 0.00 0.00 39.48 38.81 3in6 n PHE 81 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3in6 s VAL 83 N -0.82 0.00 -0.17 -4.37 1.01 -0.62 -0.58 120.40 114.86 3in6 s VAL 83 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 3in6 s VAL 83 Cb -0.01 -1.00 0.08 0.00 0.00 0.00 0.00 36.38 35.45 3in6 s VAL 83 CO 0.10 0.00 0.22 -0.22 0.00 0.00 0.00 175.10 175.20 3in6 s LEU 84 N 0.27 -0.15 -0.17 3.92 2.96 -1.01 -0.99 118.68 123.51 3in6 s LEU 84 Ca -0.00 0.06 -0.08 0.00 -0.22 0.00 0.00 54.13 53.88 3in6 s LEU 84 Cb -0.05 0.44 -0.04 0.00 0.50 0.00 0.00 46.19 47.04 3in6 s LEU 84 CO 0.01 -0.29 0.10 -0.76 -1.32 0.00 0.00 176.35 174.09 3in6 s LEU 85 N 2.34 4.09 -0.01 -0.68 1.43 0.17 -4.79 118.68 121.24 3in6 s LEU 85 Ca 0.05 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.38 3in6 s LEU 85 Cb -0.14 -2.03 0.02 0.00 0.03 0.00 0.00 46.19 44.06 3in6 s LEU 85 CO -0.10 0.23 0.01 0.42 0.23 0.00 0.00 176.35 177.14 3in6 s THR 86 N 0.04 0.02 -0.25 5.49 -4.23 -1.26 -1.41 115.64 114.04 3in6 s THR 86 Ca 0.08 0.10 -0.00 0.00 -1.18 0.00 0.00 61.69 60.69 3in6 s THR 86 Cb -0.12 -0.10 0.04 0.00 1.34 0.00 0.00 72.50 73.66 3in6 s THR 86 CO -0.00 0.07 -0.08 -0.62 -0.54 0.00 0.00 174.62 173.45 3in6 s ASP 87 N 0.64 4.30 -1.33 3.99 3.68 0.88 -4.68 116.67 124.16 3in6 s ASP 87 Ca -0.06 -1.02 -0.00 0.00 2.13 0.00 0.00 52.55 53.60 3in6 s ASP 87 Cb -0.08 -1.63 0.00 0.00 -1.45 0.00 0.00 42.92 39.76 3in6 s ASP 87 CO -0.02 -0.15 0.66 -0.46 0.13 0.00 0.00 175.17 175.33 3in6 n ASN 88 N 4.61 -1.07 -3.82 -0.34 0.23 -1.26 -1.55 115.26 112.06 3in6 n ASN 88 Ca -0.16 -0.85 -0.24 0.00 -0.53 0.00 0.00 54.58 52.80 3in6 n ASN 88 Cb 0.46 -3.89 0.01 0.00 -2.08 0.00 0.00 39.78 34.28 3in6 n ASN 88 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 3in6 n ASP 89 N -3.04 -1.22 -3.96 0.53 2.03 -1.26 -4.99 116.55 104.64 3in6 n ASP 89 Ca -0.30 -0.89 -0.21 0.00 0.52 0.00 0.00 54.79 53.92 3in6 n ASP 89 Cb 0.68 -3.67 -0.16 0.00 -0.72 0.00 0.00 41.12 37.25 3in6 n ASP 89 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 3in6 s LYS 90 N -6.25 1.03 0.18 -0.67 2.47 -0.60 -5.12 119.74 110.78 3in6 s LYS 90 Ca 0.08 -0.23 -0.30 0.00 -1.56 0.00 0.00 55.97 53.95 3in6 s LYS 90 Cb -0.04 -0.95 -0.09 0.00 -1.46 0.00 0.00 37.83 35.29 3in6 s LYS 90 CO 0.84 0.01 1.34 0.45 0.16 0.00 0.00 175.35 178.16 3in6 s SER 91 N 0.59 6.85 -0.06 1.43 0.15 -1.26 -0.08 113.70 121.32 3in6 s SER 91 Ca -0.09 2.40 -0.07 0.00 0.70 0.00 0.00 55.95 58.89 3in6 s SER 91 Cb -0.13 -2.60 -0.03 0.00 -1.71 0.00 0.00 66.02 61.55 3in6 s SER 91 CO 0.01 -0.58 -0.15 0.29 1.20 0.00 0.00 173.24 174.01 3in6 n LYS 92 N 2.98 0.23 -3.84 5.44 4.01 -0.50 -4.83 118.16 121.67 3in6 n LYS 92 Ca 0.08 0.10 0.02 0.00 -0.51 0.00 0.00 58.31 57.99 3in6 n LYS 92 Cb 0.42 -0.90 0.01 0.00 -0.51 0.00 0.00 35.03 34.05 3in6 n LYS 92 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3in6 s ASP 93 N -6.00 -0.02 0.00 4.39 2.15 -1.07 -5.00 116.67 111.13 3in6 s ASP 93 Ca -0.14 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.65 3in6 s ASP 93 Cb 0.03 0.16 0.00 0.00 -0.30 0.00 0.00 42.92 42.81 3in6 s ASP 93 CO 0.19 -0.31 0.00 0.61 -0.17 0.00 0.00 175.17 175.49 3in6 n GLY 94 N -0.73 -0.70 3.41 2.66 0.00 -1.26 0.43 105.19 108.99 3in6 n GLY 94 Ca -0.02 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.75 3in6 n GLY 94 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3in6 s ILE 95 N -2.00 0.02 -0.12 -0.61 1.10 -0.16 -4.25 121.20 115.18 3in6 s ILE 95 Ca 0.00 -0.14 0.02 0.00 -0.51 0.00 0.00 60.65 60.02 3in6 s ILE 95 Cb 0.00 -1.03 0.02 0.00 0.15 0.00 0.00 42.46 41.60 3in6 s ILE 95 CO 0.00 -0.08 -0.17 -0.13 -2.11 0.00 0.00 174.94 172.46 3in6 s ARG 96 N -3.36 2.42 -0.23 3.50 0.52 -0.43 -1.59 118.95 119.78 3in6 s ARG 96 Ca -0.01 -0.63 0.02 0.00 -0.52 0.00 0.00 55.73 54.60 3in6 s ARG 96 Cb -0.00 -2.06 0.04 0.00 0.52 0.00 0.00 34.95 33.45 3in6 s ARG 96 CO -0.09 -0.09 -0.14 0.08 0.02 0.00 0.00 175.30 175.08 3in6 s VAL 97 N 1.05 2.14 -0.03 3.52 1.01 0.25 -0.85 120.40 127.50 3in6 s VAL 97 Ca -0.04 -1.36 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 3in6 s VAL 97 Cb -0.15 -2.12 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 3in6 s VAL 97 CO -0.04 0.19 0.59 -0.31 0.00 0.00 0.00 175.10 175.53 3in6 s TYR 98 N 1.18 3.64 0.17 5.22 1.51 0.54 -0.14 117.35 129.46 3in6 s TYR 98 Ca -0.03 1.15 0.01 0.00 -1.01 0.00 0.00 57.07 57.19 3in6 s TYR 98 Cb -0.17 -2.62 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 3in6 s TYR 98 CO -0.08 0.30 0.03 0.14 -1.11 0.00 0.00 175.55 174.83 3in6 s VAL 99 N 0.05 0.47 -0.02 0.71 -7.23 -0.45 -0.26 120.40 113.66 3in6 s VAL 99 Ca 0.31 -1.96 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3in6 s VAL 99 Cb -0.18 -2.15 0.01 0.00 0.56 0.00 0.00 36.38 34.62 3in6 s VAL 99 CO 0.16 -0.42 -0.05 -1.61 -0.31 0.00 0.00 175.10 172.87 3in6 s GLU 100 N -3.97 0.66 0.03 4.82 2.02 -0.52 -2.10 118.70 119.63 3in6 s GLU 100 Ca 0.26 -0.17 -0.30 0.00 0.02 0.00 0.00 54.97 54.78 3in6 s GLU 100 Cb 0.07 -0.66 -0.07 0.00 0.10 0.00 0.00 34.13 33.57 3in6 s GLU 100 CO 0.04 0.03 1.59 -1.17 0.02 0.00 0.00 175.26 175.77 3in6 s LEU 101 N 0.36 4.34 -0.25 1.80 2.96 0.69 -0.92 118.68 127.67 3in6 s LEU 101 Ca -0.04 2.33 0.04 0.00 -0.22 0.00 0.00 54.13 56.24 3in6 s LEU 101 Cb -0.08 -3.56 -0.18 0.00 0.50 0.00 0.00 46.19 42.87 3in6 s LEU 101 CO -0.00 -0.85 -0.19 -1.20 -1.32 0.00 0.00 176.35 172.78 3in6 n SER 102 N 5.86 1.76 -3.70 3.68 7.64 0.97 -4.89 113.62 124.94 3in6 n SER 102 Ca 0.15 -0.12 -0.14 0.00 1.01 0.00 0.00 58.87 59.77 3in6 n SER 102 Cb 0.42 -0.25 -0.08 0.00 -1.01 0.00 0.00 64.21 63.29 3in6 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3in6 s ALA 103 N -2.51 -0.98 -0.31 -0.43 0.00 -0.85 -4.99 121.76 111.68 3in6 s ALA 103 Ca -0.32 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3in6 s ALA 103 Cb 0.09 0.14 0.10 0.00 0.00 0.00 0.00 23.12 23.44 3in6 s ALA 103 CO 0.62 -0.33 0.07 0.34 0.00 0.00 0.00 175.76 176.47 3in6 s ASP 104 N -1.51 4.19 0.15 0.00 -1.08 -1.26 -0.15 116.67 117.02 3in6 s ASP 104 Ca -0.11 -1.73 0.11 0.00 -0.52 0.00 0.00 52.55 50.30 3in6 s ASP 104 Cb -0.03 -1.08 -0.04 0.00 -1.46 0.00 0.00 42.92 40.30 3in6 s ASP 104 CO 0.03 -0.39 -0.25 -0.76 0.52 0.00 0.00 175.17 174.32 3in6 s LEU 105 N 1.42 2.36 0.00 -1.34 1.43 0.10 -4.92 118.68 117.72 3in6 s LEU 105 Ca 0.09 -0.79 0.10 0.00 -1.03 0.00 0.00 54.13 52.50 3in6 s LEU 105 Cb -0.18 -1.15 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3in6 s LEU 105 CO -0.19 0.14 0.72 0.00 0.23 0.00 0.00 176.35 177.24 3in6 n GLN 106 N 0.66 1.32 -3.87 1.70 3.00 -1.26 -0.28 117.38 118.66 3in6 n GLN 106 Ca -0.16 -0.84 -0.08 0.00 -0.01 0.00 0.00 57.00 55.91 3in6 n GLN 106 Cb 0.54 -1.13 -0.01 0.00 0.00 0.00 0.00 30.24 29.64 3in6 n GLN 106 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.06 175.23 3in6 s GLU 107 N -1.11 1.90 0.00 -1.09 -1.05 -1.26 -5.01 118.70 111.08 3in6 s GLU 107 Ca 0.10 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.73 3in6 s GLU 107 Cb 0.08 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 3in6 s GLU 107 CO 0.19 -0.87 0.00 0.41 0.95 0.00 0.00 175.26 175.94 3in6 n GLY 108 N -0.48 0.74 0.24 -3.83 0.00 -1.26 -4.41 105.19 96.20 3in6 n GLY 108 Ca -0.05 -2.16 0.01 0.00 0.00 0.00 0.00 46.02 43.83 3in6 n GLY 108 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3in6 h GLU 109 N 0.00 0.39 -0.23 1.61 4.11 -2.02 -0.64 114.58 117.80 3in6 h GLU 109 Ca 0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 3in6 h GLU 109 Cb 0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3in6 h GLU 109 CO 0.00 0.26 0.11 1.88 0.07 0.00 0.00 179.01 181.32 3in6 h TYR 110 N 0.40 0.33 -0.19 2.06 0.05 -1.99 0.24 116.97 117.87 3in6 h TYR 110 Ca 0.33 -0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.11 3in6 h TYR 110 Cb 0.44 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 3in6 h TYR 110 CO -0.18 0.34 0.08 0.35 -1.05 0.00 0.00 178.16 177.70 3in6 h PHE 111 N 0.23 0.14 -0.53 4.88 3.57 -1.66 -0.53 116.94 123.04 3in6 h PHE 111 Ca 0.08 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3in6 h PHE 111 Cb 0.13 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3in6 h PHE 111 CO -0.02 0.08 0.35 -0.44 -2.23 0.00 0.00 178.31 176.04 3in6 h ASP 112 N 0.18 0.62 0.34 0.41 3.32 -1.01 -0.93 116.42 119.34 3in6 h ASP 112 Ca 0.08 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3in6 h ASP 112 Cb 0.04 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.43 3in6 h ASP 112 CO -0.07 0.46 -0.18 -0.09 -1.72 0.00 0.00 179.24 177.64 3in6 h ARG 113 N 0.72 -0.46 0.00 3.56 9.65 -0.60 -2.39 114.38 124.86 3in6 h ARG 113 Ca 0.19 0.03 -0.04 0.00 -1.10 0.00 0.00 59.98 59.06 3in6 h ARG 113 Cb -0.07 0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 28.61 3in6 h ARG 113 CO -0.04 -0.31 -0.21 0.97 2.80 0.00 0.00 179.97 183.18 3in6 h ILE 114 N -0.48 0.72 -0.08 1.20 6.09 -1.00 -2.83 117.51 121.13 3in6 h ILE 114 Ca -0.04 -0.87 -0.01 0.00 -1.37 0.00 0.00 64.86 62.57 3in6 h ILE 114 Cb 0.38 1.54 -0.00 0.00 0.47 0.00 0.00 36.82 39.21 3in6 h ILE 114 CO 0.06 0.20 0.00 0.50 -3.07 0.00 0.00 178.15 175.85 3in6 h LYS 115 N 0.00 0.14 -0.49 2.19 1.63 -0.92 -1.17 116.57 117.96 3in6 h LYS 115 Ca -0.00 -0.04 0.09 0.00 -0.85 0.00 0.00 60.65 59.85 3in6 h LYS 115 Cb 0.52 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 32.06 3in6 h LYS 115 CO 0.03 0.39 0.03 0.87 -3.45 0.00 0.00 179.45 177.31 3in6 h LYS 116 N -0.13 0.14 0.16 1.90 6.56 -1.20 -0.42 116.57 123.58 3in6 h LYS 116 Ca 0.02 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 3in6 h LYS 116 Cb 0.32 -0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 31.95 3in6 h LYS 116 CO 0.00 0.09 -0.09 -0.09 -2.06 0.00 0.00 179.45 177.31 3in6 h ARG 117 N 0.15 -0.22 -0.57 3.15 2.43 -1.40 -2.80 114.38 115.11 3in6 h ARG 117 Ca 0.25 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.51 3in6 h ARG 117 Cb 0.36 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3in6 h ARG 117 CO -0.38 -0.15 0.38 1.25 -1.51 0.00 0.00 179.97 179.56 3in6 h LEU 118 N -0.23 0.39 -1.73 3.80 5.85 -0.62 -1.60 115.31 121.18 3in6 h LEU 118 Ca -0.02 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.78 3in6 h LEU 118 Cb 0.19 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 3in6 h LEU 118 CO 0.03 0.24 0.32 0.44 -0.34 0.00 0.00 178.44 179.13 3in6 h ASP 119 N 0.44 0.29 -0.52 1.25 3.32 -0.81 -1.93 116.42 118.46 3in6 h ASP 119 Ca 0.26 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.06 3in6 h ASP 119 Cb 0.45 -0.06 -0.15 0.00 0.22 0.00 0.00 39.33 39.79 3in6 h ASP 119 CO -0.07 0.18 0.32 0.59 -1.72 0.00 0.00 179.24 178.55 3in6 n ASN 120 N -4.47 3.42 -4.49 6.45 3.02 -0.60 -4.70 115.26 113.89 3in6 n ASN 120 Ca 0.07 -2.83 -0.23 0.00 -0.03 0.00 0.00 54.58 51.55 3in6 n ASN 120 Cb 0.31 -0.68 -0.11 0.00 -0.61 0.00 0.00 39.78 38.70 3in6 n ASN 120 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3in6 s THR 121 N -1.79 1.75 0.43 3.41 2.01 -0.73 -5.01 115.64 115.70 3in6 s THR 121 Ca 0.31 -2.10 0.25 0.00 0.31 0.00 0.00 61.69 60.45 3in6 s THR 121 Cb 0.26 -2.64 0.27 0.00 0.01 0.00 0.00 72.50 70.39 3in6 s THR 121 CO 0.06 -0.18 2.06 0.74 -0.69 0.00 0.00 174.62 176.61 3in6 h THR 122 N 2.11 0.69 -0.26 -0.82 2.02 -1.91 -1.78 112.91 112.96 3in6 h THR 122 Ca -0.41 -0.55 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3in6 h THR 122 Cb 1.24 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3in6 h THR 122 CO 0.71 0.13 0.00 -1.22 0.37 0.00 0.00 175.52 175.51 3in6 n TYR 123 N -3.79 0.53 -0.34 3.16 4.01 -1.26 -4.40 117.16 115.07 3in6 n TYR 123 Ca -0.02 -0.22 0.14 0.00 -0.16 0.00 0.00 57.90 57.64 3in6 n TYR 123 Cb 0.24 -0.09 0.33 0.00 -0.31 0.00 0.00 39.34 39.51 3in6 n TYR 123 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3in6 h LYS 124 N 1.62 0.62 0.00 -0.72 -0.00 -1.39 -0.01 116.57 116.69 3in6 h LYS 124 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 3in6 h LYS 124 Cb 0.62 -0.14 0.00 0.00 -0.00 0.00 0.00 32.23 32.71 3in6 h LYS 124 CO 0.07 0.41 0.00 -0.91 -0.00 0.00 0.00 179.45 179.02 3in6 h ASN 125 N 0.64 0.00 -3.25 7.07 4.21 -1.85 -3.44 115.58 118.96 3in6 h ASN 125 Ca 0.59 0.00 -0.54 0.00 1.21 0.00 0.00 56.30 57.55 3in6 h ASN 125 Cb 1.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.19 3in6 h ASN 125 CO -0.43 0.00 0.53 -0.36 -1.29 0.00 0.00 177.43 175.88 3in6 s PHE 126 N -3.25 3.47 0.35 1.19 0.40 -0.02 -5.00 117.98 115.13 3in6 s PHE 126 Ca 0.07 1.47 -0.27 0.00 -0.60 0.00 0.00 56.93 57.59 3in6 s PHE 126 Cb 0.10 -3.28 -0.09 0.00 0.51 0.00 0.00 43.02 40.26 3in6 s PHE 126 CO 0.50 -0.66 1.23 -1.25 0.70 0.00 0.00 175.22 175.74 3in6 s PRO 127 N 1.50 4.25 -0.62 0.24 0.04 -1.26 -4.96 135.00 134.20 3in6 s PRO 127 Ca 0.54 2.04 -0.28 0.00 0.04 0.00 0.00 61.00 63.34 3in6 s PRO 127 Cb -0.23 -2.93 0.03 0.00 0.04 0.00 0.00 34.50 31.41 3in6 s PRO 127 CO 0.25 -0.21 1.21 -1.17 0.04 0.00 0.00 177.00 177.11 3in6 s LEU 128 N -2.04 3.41 0.06 -3.56 2.96 -1.26 -4.46 118.68 113.79 3in6 s LEU 128 Ca 0.52 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 3in6 s LEU 128 Cb -0.36 -3.01 -0.25 0.00 0.50 0.00 0.00 46.19 43.07 3in6 s LEU 128 CO 0.46 -1.56 1.08 0.11 -1.32 0.00 0.00 176.35 175.12 3in6 h LYS 129 N 9.65 0.15 -2.76 1.98 1.57 -1.34 -3.48 116.57 122.35 3in6 h LYS 129 Ca -0.26 -0.26 -0.09 0.00 -1.87 0.00 0.00 60.65 58.18 3in6 h LYS 129 Cb 1.06 0.10 -0.19 0.00 0.08 0.00 0.00 32.23 33.28 3in6 h LYS 129 CO 1.21 1.06 -0.09 -0.80 -0.57 0.00 0.00 179.45 180.25 3in6 s ASN 130 N -6.87 -0.35 -0.27 0.86 -0.87 -0.97 -4.86 114.94 101.61 3in6 s ASN 130 Ca -0.04 0.22 -0.08 0.00 -1.57 0.00 0.00 52.86 51.40 3in6 s ASN 130 Cb 0.08 0.41 -0.01 0.00 -0.02 0.00 0.00 41.25 41.71 3in6 s ASN 130 CO 0.85 -0.56 0.09 0.00 -2.57 0.00 0.00 177.10 174.91 3in6 s LEU 132 N 1.59 4.24 -0.22 0.00 1.43 -0.14 -0.73 118.68 124.85 3in6 s LEU 132 Ca 0.05 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.71 3in6 s LEU 132 Cb -0.16 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.55 3in6 s LEU 132 CO 0.04 0.04 -0.02 -0.69 0.23 0.00 0.00 176.35 175.95 3in6 s VAL 133 N 0.64 3.65 0.04 -1.59 1.01 0.79 -1.68 120.40 123.26 3in6 s VAL 133 Ca 0.20 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.82 3in6 s VAL 133 Cb -0.14 -2.67 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 3in6 s VAL 133 CO 0.06 0.41 -0.05 -0.36 0.00 0.00 0.00 175.10 175.17 3in6 s PHE 134 N 1.41 2.91 -0.17 5.22 0.08 0.21 -0.02 117.98 127.61 3in6 s PHE 134 Ca 0.05 -0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.95 3in6 s PHE 134 Cb -0.14 -1.57 -0.05 0.00 -0.57 0.00 0.00 43.02 40.68 3in6 s PHE 134 CO -0.01 0.42 0.18 0.21 -0.10 0.00 0.00 175.22 175.91 3in6 s LYS 135 N -1.75 4.09 -0.05 0.44 2.20 -0.09 -1.54 119.74 123.04 3in6 s LYS 135 Ca 0.20 -0.12 -0.28 0.00 -0.36 0.00 0.00 55.97 55.41 3in6 s LYS 135 Cb -0.11 -3.38 -0.03 0.00 -1.51 0.00 0.00 37.83 32.80 3in6 s LYS 135 CO 0.11 0.36 0.91 0.42 -0.36 0.00 0.00 175.35 176.80 3in6 s ILE 136 N 0.15 4.89 -0.11 5.43 1.01 -0.13 -1.44 121.20 131.01 3in6 s ILE 136 Ca 0.11 1.89 0.11 0.00 0.00 0.00 0.00 60.65 62.77 3in6 s ILE 136 Cb -0.12 -4.25 -0.15 0.00 0.01 0.00 0.00 42.46 37.95 3in6 s ILE 136 CO 0.01 0.14 0.06 0.52 0.00 0.00 0.00 174.94 175.67 3in6 n VAL 137 N 4.07 0.76 -3.57 2.92 0.31 0.64 -4.90 118.33 118.55 3in6 n VAL 137 Ca 0.05 -0.49 -0.11 0.00 -0.01 0.00 0.00 64.34 63.77 3in6 n VAL 137 Cb 0.50 -0.60 -0.05 0.00 -0.91 0.00 0.00 33.84 32.78 3in6 n VAL 137 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3in6 s LYS 138 N -2.34 0.63 -0.09 5.55 2.20 -1.15 -5.01 119.74 119.52 3in6 s LYS 138 Ca -0.06 0.17 0.01 0.00 -0.36 0.00 0.00 55.97 55.72 3in6 s LYS 138 Cb 0.04 0.30 0.02 0.00 -1.51 0.00 0.00 37.83 36.68 3in6 s LYS 138 CO 0.50 -0.19 -0.08 0.42 -0.36 0.00 0.00 175.35 175.64 3in6 s ILE 139 N -1.07 0.94 0.16 5.43 1.01 -1.26 -0.34 121.20 126.07 3in6 s ILE 139 Ca -0.02 -0.29 0.08 0.00 0.00 0.00 0.00 60.65 60.42 3in6 s ILE 139 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 3in6 s ILE 139 CO 0.02 0.34 -0.18 -0.76 0.00 0.00 0.00 174.94 174.36 3in6 s LEU 140 N 1.31 2.44 0.99 2.97 1.43 -0.03 -4.99 118.68 122.79 3in6 s LEU 140 Ca -0.03 -0.86 -0.12 0.00 -1.03 0.00 0.00 54.13 52.09 3in6 s LEU 140 Cb -0.14 -0.81 0.18 0.00 0.03 0.00 0.00 46.19 45.45 3in6 s LEU 140 CO -0.03 -0.04 1.08 -2.84 0.23 0.00 0.00 176.35 174.75 3in6 s PRO 141 N -2.80 0.51 0.14 1.29 0.02 -1.26 -1.31 135.00 131.59 3in6 s PRO 141 Ca 0.15 0.71 -0.24 0.00 0.02 0.00 0.00 61.00 61.65 3in6 s PRO 141 Cb -0.06 -1.73 -0.01 0.00 0.02 0.00 0.00 34.50 32.72 3in6 s PRO 141 CO 0.06 -2.73 1.64 0.28 -0.33 0.00 0.00 177.00 175.92 3in6 h VAL 142 N -1.90 0.43 -3.85 3.83 2.07 -1.89 -3.42 116.25 111.53 3in6 h VAL 142 Ca -0.53 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.73 3in6 h VAL 142 Cb 1.31 0.43 -0.26 0.00 -1.52 0.00 0.00 31.29 31.25 3in6 h VAL 142 CO 0.55 0.00 -0.73 -0.94 0.02 0.00 0.00 177.57 176.47 3in6 s SER 143 N -4.98 0.33 -0.35 0.57 1.04 -1.26 -4.98 113.70 104.07 3in6 s SER 143 Ca -0.15 -0.17 0.07 0.00 0.48 0.00 0.00 55.95 56.18 3in6 s SER 143 Cb 0.11 -0.00 0.54 0.00 0.10 0.00 0.00 66.02 66.76 3in6 s SER 143 CO 0.67 -0.05 1.58 0.18 0.98 0.00 0.00 173.24 176.60 3in6 n LEU 144 N 2.62 4.93 -4.71 2.42 4.77 -1.26 -5.03 117.00 120.73 3in6 n LEU 144 Ca -0.15 -3.85 -0.42 0.00 -0.03 0.00 0.00 56.01 51.56 3in6 n LEU 144 Cb 0.58 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3in6 n LEU 144 CO 0.24 1.29 1.01 -0.22 -1.33 0.00 0.00 177.39 178.38 3in6 s LEU 145 N -3.32 4.36 0.00 2.23 2.96 -1.26 -5.22 118.68 118.42 3in6 s LEU 145 Ca 0.49 2.16 0.17 0.00 -0.22 0.00 0.00 54.13 56.73 3in6 s LEU 145 Cb 0.43 -3.58 0.14 0.00 0.50 0.00 0.00 46.19 43.68 3in6 s LEU 145 CO 0.02 -0.60 1.05 -2.11 -1.32 0.00 0.00 176.35 173.39