#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 -0.12 0.99 7.94 -1.26 -1.41 117.00 123.14 3in6 n LEU 2 Ca 0.00 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.77 3in6 n LEU 2 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3in6 n LEU 2 CO 0.00 0.00 0.58 -0.33 -1.11 0.00 0.00 177.39 176.53 3in6 h GLU 3 N 0.00 0.84 -0.96 1.96 3.07 -2.06 -2.54 114.58 114.89 3in6 h GLU 3 Ca 0.00 -0.42 0.04 0.00 -0.50 0.00 0.00 59.36 58.47 3in6 h GLU 3 Cb 0.00 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 27.86 3in6 h GLU 3 CO 0.00 1.06 0.63 1.03 -1.40 0.00 0.00 179.01 180.34 3in6 h SER 4 N 0.64 1.05 -0.24 1.42 0.87 -1.69 -1.76 113.55 113.84 3in6 h SER 4 Ca 0.06 -0.01 -0.17 0.00 -1.23 0.00 0.00 61.79 60.45 3in6 h SER 4 Cb 0.88 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3in6 h SER 4 CO 0.08 0.71 -0.46 0.58 -0.53 0.00 0.00 176.83 177.21 3in6 h VAL 5 N 1.21 1.28 -0.30 2.23 2.07 -1.82 -2.68 116.25 118.24 3in6 h VAL 5 Ca 0.38 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 66.26 3in6 h VAL 5 Cb 0.01 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 3in6 h VAL 5 CO -0.12 0.54 0.20 -0.09 0.02 0.00 0.00 177.57 178.12 3in6 h ARG 6 N 0.65 0.38 -0.25 1.57 2.43 -0.96 -1.64 114.38 116.56 3in6 h ARG 6 Ca 0.04 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.06 3in6 h ARG 6 Cb 1.04 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3in6 h ARG 6 CO 0.10 0.25 -0.33 -0.22 -1.51 0.00 0.00 179.97 178.27 3in6 h LYS 7 N 0.40 0.66 -0.22 0.20 3.64 -1.05 -1.08 116.57 119.12 3in6 h LYS 7 Ca 0.11 -0.38 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 3in6 h LYS 7 Cb -0.03 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 31.74 3in6 h LYS 7 CO -0.02 0.99 -0.37 0.93 -2.27 0.00 0.00 179.45 178.71 3in6 h GLU 8 N 0.38 -0.38 -0.78 1.90 5.08 -1.07 -1.44 114.58 118.28 3in6 h GLU 8 Ca 0.03 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 3in6 h GLU 8 Cb 0.91 0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.12 3in6 h GLU 8 CO 0.08 -0.25 0.15 2.35 -1.00 0.00 0.00 179.01 180.34 3in6 h TRP 9 N -0.39 0.22 -0.33 4.33 7.01 -1.16 -0.54 115.95 125.09 3in6 h TRP 9 Ca 0.11 0.05 -0.09 0.00 2.11 0.00 0.00 58.89 61.07 3in6 h TRP 9 Cb 0.58 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.65 3in6 h TRP 9 CO -0.49 -0.16 -0.16 -0.07 -2.79 0.00 0.00 178.44 174.78 3in6 h LEU 10 N 0.21 0.59 -0.73 0.65 3.38 -0.31 -2.43 115.31 116.67 3in6 h LEU 10 Ca 0.45 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 3in6 h LEU 10 Cb 0.83 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3in6 h LEU 10 CO -0.59 0.77 0.00 -0.33 0.09 0.00 0.00 178.44 178.38 3in6 h GLU 11 N 0.54 0.97 -1.24 1.13 5.08 -0.12 -1.12 114.58 119.82 3in6 h GLU 11 Ca 0.09 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 3in6 h GLU 11 Cb 0.58 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3in6 h GLU 11 CO 0.04 0.96 0.00 -0.89 -1.00 0.00 0.00 179.01 178.11 3in6 n ILE 12 N -4.19 0.07 0.00 3.13 -0.00 -0.76 -1.77 119.36 115.84 3in6 n ILE 12 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.78 3in6 n ILE 12 Cb 0.33 -0.37 0.00 0.00 -0.00 0.00 0.00 39.64 39.60 3in6 n ILE 12 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 3in6 n ASP 14 N 0.77 0.00 -0.14 4.38 9.92 -0.43 -1.36 116.55 129.69 3in6 n ASP 14 Ca 0.00 0.00 -0.11 0.00 -0.53 0.00 0.00 54.79 54.15 3in6 n ASP 14 Cb 0.04 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.51 3in6 n ASP 14 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3in6 h ARG 15 N 0.00 0.80 -0.52 -1.24 1.12 -1.62 -0.51 114.38 112.41 3in6 h ARG 15 Ca 0.00 -0.31 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 3in6 h ARG 15 Cb 0.00 -0.04 -0.03 0.00 -0.01 0.00 0.00 29.97 29.89 3in6 h ARG 15 CO 0.00 0.93 0.34 0.93 -3.11 0.00 0.00 179.97 179.06 3in6 h GLU 16 N 0.61 0.69 -0.62 0.20 3.07 -1.49 -1.64 114.58 115.40 3in6 h GLU 16 Ca 0.10 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.87 3in6 h GLU 16 Cb 0.65 -0.15 -0.03 0.00 -0.84 0.00 0.00 28.75 28.38 3in6 h GLU 16 CO 0.04 0.46 0.17 -0.07 -1.40 0.00 0.00 179.01 178.21 3in6 h LEU 17 N 0.70 0.88 -0.10 1.33 3.38 -1.78 -0.06 115.31 119.66 3in6 h LEU 17 Ca 0.19 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3in6 h LEU 17 Cb -0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3in6 h LEU 17 CO -0.04 0.84 0.03 0.25 0.09 0.00 0.00 178.44 179.61 3in6 h LEU 18 N 0.91 0.14 -0.92 1.67 5.85 -0.77 0.13 115.31 122.33 3in6 h LEU 18 Ca 0.20 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 3in6 h LEU 18 Cb 0.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3in6 h LEU 18 CO -0.00 0.29 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.00 3in6 h GLU 19 N -0.02 0.73 -0.55 1.25 4.39 -1.13 -0.16 114.58 119.09 3in6 h GLU 19 Ca 0.03 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 3in6 h GLU 19 Cb 0.20 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3in6 h GLU 19 CO -0.00 0.78 0.10 -0.22 -1.16 0.00 0.00 179.01 178.52 3in6 h LYS 20 N 0.67 0.90 -0.86 2.33 3.64 -0.86 -2.64 116.57 119.76 3in6 h LYS 20 Ca 0.12 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3in6 h LYS 20 Cb 0.51 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 3in6 h LYS 20 CO 0.03 0.86 0.50 0.00 -2.27 0.00 0.00 179.45 178.57 3in6 h ALA 21 N 1.00 1.10 -0.07 5.00 0.00 -0.23 -2.34 119.26 123.72 3in6 h ALA 21 Ca 0.17 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3in6 h ALA 21 Cb 0.39 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3in6 h ALA 21 CO 0.01 0.58 -0.02 -0.09 0.00 0.00 0.00 179.25 179.72 3in6 h ARG 22 N 1.19 -0.01 -0.79 0.00 2.43 -0.76 0.37 114.38 116.82 3in6 h ARG 22 Ca 0.31 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.43 3in6 h ARG 22 Cb -0.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 3in6 h ARG 22 CO -0.05 -0.01 0.32 0.77 -1.51 0.00 0.00 179.97 179.49 3in6 h SER 23 N -0.01 1.08 -0.16 -3.80 0.02 -1.37 -1.99 113.55 107.32 3in6 h SER 23 Ca 0.04 -0.17 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 3in6 h SER 23 Cb 0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3in6 h SER 23 CO -0.08 0.96 -0.35 -0.07 -1.14 0.00 0.00 176.83 176.14 3in6 h LEU 24 N 1.15 0.59 0.00 5.07 3.38 -1.03 -2.33 115.31 122.14 3in6 h LEU 24 Ca 0.26 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3in6 h LEU 24 Cb 0.21 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3in6 h LEU 24 CO -0.02 1.04 -0.00 0.40 0.09 0.00 0.00 178.44 179.95 3in6 h ILE 25 N 0.16 1.30 0.00 1.22 1.08 -0.95 -3.06 117.51 117.26 3in6 h ILE 25 Ca 0.00 -0.89 0.00 0.00 -0.39 0.00 0.00 64.86 63.59 3in6 h ILE 25 Cb 0.96 1.90 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 3in6 h ILE 25 CO 0.08 0.23 0.00 0.78 -0.69 0.00 0.00 178.15 178.55 3in6 h ASN 26 N -0.38 0.00 0.83 1.72 2.35 -1.45 -2.41 115.58 116.24 3in6 h ASN 26 Ca -0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 3in6 h ASN 26 Cb 0.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3in6 h ASN 26 CO 0.00 0.00 -0.22 0.00 -1.65 0.00 0.00 177.43 175.56 3in6 h ALA 27 N 2.09 1.06 -5.79 -0.83 0.00 -1.30 -3.48 119.26 111.00 3in6 h ALA 27 Ca 0.00 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.35 3in6 h ALA 27 Cb 0.30 -0.04 0.13 0.00 0.00 0.00 0.00 17.79 18.19 3in6 h ALA 27 CO 0.00 0.28 -0.78 0.09 0.00 0.00 0.00 179.25 178.84 3in6 n ASN 28 N -3.44 -2.23 -4.75 0.00 5.03 -0.91 -4.96 115.26 104.00 3in6 n ASN 28 Ca -0.00 -0.67 -0.37 0.00 0.87 0.00 0.00 54.58 54.41 3in6 n ASN 28 Cb 0.41 -4.82 0.04 0.00 -1.02 0.00 0.00 39.78 34.39 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 -3.43 2.35 0.12 3.10 2.02 -1.26 -4.89 117.35 115.35 3in6 s TYR 29 Ca 0.06 1.47 0.33 0.00 -0.37 0.00 0.00 57.07 58.57 3in6 s TYR 29 Cb -0.03 -3.61 1.35 0.00 -0.40 0.00 0.00 41.96 39.28 3in6 s TYR 29 CO 0.75 -2.48 1.98 -0.84 -1.57 0.00 0.00 175.55 173.40 3in6 h ILE 30 N 1.08 0.07 -1.07 2.71 3.07 -1.95 -3.12 117.51 118.29 3in6 h ILE 30 Ca -0.51 -0.56 -0.58 0.00 1.55 0.00 0.00 64.86 64.76 3in6 h ILE 30 Cb 1.30 1.52 -0.15 0.00 -0.27 0.00 0.00 36.82 39.22 3in6 h ILE 30 CO 0.56 0.02 1.14 -1.54 -1.05 0.00 0.00 178.15 177.28 3in6 n SER 31 N -3.13 7.04 -4.07 2.16 3.41 -1.26 -4.86 113.62 112.91 3in6 n SER 31 Ca 0.00 -3.16 -0.29 0.00 -0.26 0.00 0.00 58.87 55.16 3in6 n SER 31 Cb 0.31 -1.29 -0.17 0.00 -0.26 0.00 0.00 64.21 62.81 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 -1.76 1.58 0.28 6.66 2.01 -1.18 -2.30 115.64 120.92 3in6 s THR 32 Ca 0.57 -0.69 0.09 0.00 0.31 0.00 0.00 61.69 61.97 3in6 s THR 32 Cb 0.31 -1.43 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 3in6 s THR 32 CO -0.17 0.46 -0.12 0.42 -0.69 0.00 0.00 174.62 174.52 3in6 s THR 33 N 0.95 1.98 -0.08 -0.82 -4.23 -1.26 -0.94 115.64 111.24 3in6 s THR 33 Ca -0.07 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.22 3in6 s THR 33 Cb -0.15 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.34 3in6 s THR 33 CO -0.01 -0.36 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.42 3in6 s LEU 34 N -3.47 1.22 -0.09 4.79 2.96 -0.48 -4.20 118.68 119.41 3in6 s LEU 34 Ca 0.29 -0.21 -0.03 0.00 -0.22 0.00 0.00 54.13 53.96 3in6 s LEU 34 Cb 0.01 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.00 3in6 s LEU 34 CO 0.12 -0.08 0.02 -0.44 -1.32 0.00 0.00 176.35 174.65 3in6 s SER 35 N 1.30 5.37 0.30 3.68 0.01 -0.21 -1.88 113.70 122.27 3in6 s SER 35 Ca -0.04 0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.45 3in6 s SER 35 Cb -0.14 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 3in6 s SER 35 CO -0.03 0.37 0.25 0.42 0.41 0.00 0.00 173.24 174.66 3in6 s THR 36 N -0.82 0.00 -0.09 1.44 -4.23 0.10 -2.02 115.64 110.03 3in6 s THR 36 Ca 0.13 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.46 3in6 s THR 36 Cb -0.12 -2.50 0.04 0.00 1.34 0.00 0.00 72.50 71.26 3in6 s THR 36 CO 0.02 0.00 0.43 0.54 -0.54 0.00 0.00 174.62 175.07 3in6 s VAL 37 N -3.60 0.02 0.65 2.29 0.11 -1.26 -0.66 120.40 117.96 3in6 s VAL 37 Ca 0.40 -0.18 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3in6 s VAL 37 Cb 0.03 -0.67 0.10 0.00 -1.53 0.00 0.00 36.38 34.31 3in6 s VAL 37 CO 0.24 -0.10 0.90 1.51 -3.33 0.00 0.00 175.10 174.33 3in6 s ASP 38 N -0.57 4.68 0.59 3.54 1.47 -0.95 -4.38 116.67 121.05 3in6 s ASP 38 Ca -0.07 -0.44 0.35 0.00 1.18 0.00 0.00 52.55 53.57 3in6 s ASP 38 Cb -0.03 -0.06 1.87 0.00 -0.34 0.00 0.00 42.92 44.35 3in6 s ASP 38 CO 0.03 -1.62 2.21 0.08 0.68 0.00 0.00 175.17 176.56 3in6 h ARG 39 N -0.25 0.00 -0.62 2.11 -0.00 -1.91 -1.52 114.38 112.19 3in6 h ARG 39 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.62 3in6 h ARG 39 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 3in6 h ARG 39 CO 0.42 0.04 0.00 -1.71 -0.00 0.00 0.00 179.97 178.71 3in6 n ASN 40 N -3.42 3.53 -0.75 0.08 5.15 -1.26 -4.93 115.26 113.67 3in6 n ASN 40 Ca -0.02 -2.34 -0.10 0.00 -0.60 0.00 0.00 54.58 51.52 3in6 n ASN 40 Cb 0.15 -0.49 -0.04 0.00 -0.53 0.00 0.00 39.78 38.87 3in6 n ASN 40 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3in6 n TYR 41 N 0.69 0.00 -2.49 1.20 4.01 -0.57 -4.97 117.16 115.02 3in6 n TYR 41 Ca 0.18 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.49 3in6 n TYR 41 Cb 0.68 -2.09 -0.02 0.00 -0.31 0.00 0.00 39.34 37.60 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 -2.64 3.88 0.20 -0.72 0.41 -1.26 -4.84 118.70 113.73 3in6 s GLU 42 Ca 0.00 1.07 -0.23 0.00 -0.41 0.00 0.00 54.97 55.40 3in6 s GLU 42 Cb 0.00 -3.87 -0.08 0.00 -1.78 0.00 0.00 34.13 28.40 3in6 s GLU 42 CO 0.00 -1.16 0.77 0.08 -0.49 0.00 0.00 175.26 174.46 3in6 s VAL 43 N 4.35 4.43 0.20 2.63 1.01 -1.26 -2.24 120.40 129.51 3in6 s VAL 43 Ca 0.53 1.56 0.06 0.00 0.00 0.00 0.00 61.98 64.14 3in6 s VAL 43 Cb -0.14 -4.02 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3in6 s VAL 43 CO 0.24 0.38 -0.11 0.21 0.00 0.00 0.00 175.10 175.81 3in6 s ASN 44 N -1.37 2.29 -0.09 3.32 2.47 0.17 -4.98 114.94 116.75 3in6 s ASN 44 Ca 0.40 -1.05 -0.08 0.00 0.42 0.00 0.00 52.86 52.54 3in6 s ASN 44 Cb -0.20 -0.09 0.02 0.00 -1.45 0.00 0.00 41.25 39.53 3in6 s ASN 44 CO 0.24 -0.26 0.24 -0.51 -3.72 0.00 0.00 177.10 173.09 3in6 s ILE 45 N -3.12 0.00 0.03 -5.21 2.07 -1.26 -0.72 121.20 112.99 3in6 s ILE 45 Ca 0.22 -0.01 -0.09 0.00 -1.41 0.00 0.00 60.65 59.36 3in6 s ILE 45 Cb 0.01 -0.34 0.00 0.00 0.13 0.00 0.00 42.46 42.26 3in6 s ILE 45 CO 0.06 -0.00 0.19 0.00 -1.91 0.00 0.00 174.94 173.27 3in6 s ALA 46 N 0.11 -0.36 -0.13 1.50 0.00 -0.79 -4.98 121.76 117.10 3in6 s ALA 46 Ca -0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 3in6 s ALA 46 Cb -0.02 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.32 3in6 s ALA 46 CO 0.00 -0.33 1.19 0.08 0.00 0.00 0.00 175.76 176.71 3in6 s VAL 47 N -2.29 4.37 -0.18 0.00 1.01 -1.26 -1.39 120.40 120.65 3in6 s VAL 47 Ca -0.07 1.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.53 3in6 s VAL 47 Cb -0.02 -4.07 0.06 0.00 0.00 0.00 0.00 36.38 32.34 3in6 s VAL 47 CO -0.02 -0.09 0.07 -0.63 0.00 0.00 0.00 175.10 174.43 3in6 s ILE 48 N 2.92 0.16 -0.02 2.22 -1.09 -0.11 -4.94 121.20 120.35 3in6 s ILE 48 Ca 0.53 -0.34 0.01 0.00 -2.23 0.00 0.00 60.65 58.62 3in6 s ILE 48 Cb -0.21 -0.77 -0.01 0.00 -1.58 0.00 0.00 42.46 39.88 3in6 s ILE 48 CO 0.16 -0.27 0.02 -1.54 -1.23 0.00 0.00 174.94 172.09 3in6 n SER 49 N 5.18 2.59 -4.58 3.58 3.41 -1.26 -4.32 113.62 118.22 3in6 n SER 49 Ca -0.08 -0.24 -0.40 0.00 -0.26 0.00 0.00 58.87 57.89 3in6 n SER 49 Cb 0.48 1.02 -0.01 0.00 -0.26 0.00 0.00 64.21 65.43 3in6 n SER 49 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3in6 s VAL 50 N -1.59 3.98 0.13 -3.33 1.01 -1.26 -4.58 120.40 114.77 3in6 s VAL 50 Ca -0.00 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.44 3in6 s VAL 50 Cb 0.01 -5.05 -0.04 0.00 0.00 0.00 0.00 36.38 31.29 3in6 s VAL 50 CO 0.03 -1.82 -0.09 -0.76 0.00 0.00 0.00 175.10 172.46 3in6 s LEU 51 N 5.60 2.52 0.00 3.92 1.43 -1.26 -1.05 118.68 129.84 3in6 s LEU 51 Ca 0.56 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 3in6 s LEU 51 Cb 0.02 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.96 3in6 s LEU 51 CO 0.07 -0.36 0.00 1.21 0.23 0.00 0.00 176.35 177.50 3in6 n GLU 52 N -0.13 0.00 -3.46 1.70 2.13 -0.66 -4.62 120.64 115.59 3in6 n GLU 52 Ca -0.11 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.72 3in6 n GLU 52 Cb 0.60 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.27 3in6 n GLU 52 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3in6 s ILE 54 N -1.43 -0.24 0.00 6.31 1.01 0.83 -0.52 121.20 127.15 3in6 s ILE 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3in6 s ILE 54 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.47 3in6 s ILE 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3in6 n GLY 55 N 4.34 2.67 0.00 6.18 0.00 -1.26 -2.87 105.19 114.25 3in6 n GLY 55 Ca -0.12 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.56 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 2.45 0.86 -0.29 1.61 8.00 -1.26 -4.76 116.55 123.16 3in6 n ASP 56 Ca 0.00 -0.65 0.02 0.00 0.71 0.00 0.00 54.79 54.87 3in6 n ASP 56 Cb 0.00 1.10 0.02 0.00 -0.02 0.00 0.00 41.12 42.23 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 -1.41 0.49 -3.95 -2.24 5.75 -1.25 -4.92 116.55 109.02 3in6 n ASP 57 Ca 0.01 -1.94 -0.16 0.00 -0.01 0.00 0.00 54.79 52.69 3in6 n ASP 57 Cb 0.22 -0.18 -0.14 0.00 -1.03 0.00 0.00 41.12 39.98 3in6 n ASP 57 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3in6 s THR 58 N -0.51 0.39 -0.06 2.12 2.01 -1.14 -0.84 115.64 117.62 3in6 s THR 58 Ca 0.05 -0.20 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3in6 s THR 58 Cb 0.04 -0.33 0.00 0.00 0.01 0.00 0.00 72.50 72.22 3in6 s THR 58 CO 0.00 0.11 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.26 3in6 s ILE 59 N -0.08 1.35 0.02 1.82 1.01 -0.83 -0.12 121.20 124.38 3in6 s ILE 59 Ca 0.01 -0.64 0.03 0.00 0.00 0.00 0.00 60.65 60.06 3in6 s ILE 59 Cb -0.02 -1.19 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 3in6 s ILE 59 CO -0.00 0.40 -0.05 0.27 0.00 0.00 0.00 174.94 175.56 3in6 s ILE 60 N 0.35 3.76 -0.01 2.92 -4.36 0.32 -0.11 121.20 124.07 3in6 s ILE 60 Ca -0.10 -0.82 0.00 0.00 -0.26 0.00 0.00 60.65 59.47 3in6 s ILE 60 Cb -0.14 -2.67 0.02 0.00 1.25 0.00 0.00 42.46 40.91 3in6 s ILE 60 CO 0.04 0.33 0.01 0.00 0.24 0.00 0.00 174.94 175.56 3in6 s ALA 62 N 0.63 3.35 -0.33 0.00 0.00 -0.22 -1.34 121.76 123.86 3in6 s ALA 62 Ca -0.05 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.42 3in6 s ALA 62 Cb -0.08 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.70 3in6 s ALA 62 CO -0.02 -0.51 0.03 0.50 0.00 0.00 0.00 175.76 175.76 3in6 s ARG 63 N 1.69 2.01 0.00 0.00 3.00 -0.15 -4.80 118.95 120.69 3in6 s ARG 63 Ca 0.52 -1.59 0.00 0.00 -1.00 0.00 0.00 55.73 53.66 3in6 s ARG 63 Cb -0.21 -3.21 0.00 0.00 0.00 0.00 0.00 34.95 31.53 3in6 s ARG 63 CO 0.22 -0.80 0.00 1.97 0.00 0.00 0.00 175.30 176.69 3in6 n PHE 64 N 4.46 0.00 0.00 5.12 -1.74 -1.26 -1.13 117.46 122.91 3in6 n PHE 64 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.83 3in6 n PHE 64 Cb 0.42 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.42 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 2.92 1.63 3.96 4.97 0.00 -1.26 -4.83 105.19 112.57 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 -1.60 0.10 4.61 0.00 -1.26 -4.89 120.51 114.47 3in6 n ALA 66 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.28 3in6 n ALA 66 Cb 0.00 -3.04 -0.06 0.00 0.00 0.00 0.00 19.45 16.35 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 -1.85 -0.35 -0.37 0.00 3.32 -1.99 0.13 116.42 115.31 3in6 h ASP 67 Ca -0.60 0.04 -0.09 0.00 0.02 0.00 0.00 57.03 56.40 3in6 h ASP 67 Cb 1.37 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 41.04 3in6 h ASP 67 CO 0.67 -0.19 -0.11 0.50 -1.72 0.00 0.00 179.24 178.38 3in6 h LYS 68 N -0.27 0.74 -0.61 3.56 1.63 -1.99 -1.27 116.57 118.36 3in6 h LYS 68 Ca 0.01 -0.29 0.06 0.00 -0.85 0.00 0.00 60.65 59.58 3in6 h LYS 68 Cb 0.27 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.81 3in6 h LYS 68 CO -0.06 0.89 0.32 1.15 -3.45 0.00 0.00 179.45 178.30 3in6 h THR 69 N 0.54 0.94 -0.31 1.00 2.02 -1.91 0.10 112.91 115.29 3in6 h THR 69 Ca 0.09 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 3in6 h THR 69 Cb 0.64 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 3in6 h THR 69 CO 0.04 0.11 0.03 0.22 0.37 0.00 0.00 175.52 176.29 3in6 h TYR 70 N 0.59 0.58 -0.65 3.16 3.20 -0.62 -2.20 116.97 121.03 3in6 h TYR 70 Ca 0.27 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 62.06 3in6 h TYR 70 Cb 0.19 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 3in6 h TYR 70 CO -0.10 0.64 0.43 0.00 -1.64 0.00 0.00 178.16 177.50 3in6 h ALA 71 N 0.86 0.83 -0.18 1.82 0.00 -0.76 -1.90 119.26 119.94 3in6 h ALA 71 Ca 0.09 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3in6 h ALA 71 Cb 0.39 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3in6 h ALA 71 CO 0.01 0.26 0.05 -0.91 0.00 0.00 0.00 179.25 178.66 3in6 h ASN 72 N 0.89 0.04 -0.87 0.00 2.35 -0.71 -1.97 115.58 115.31 3in6 h ASN 72 Ca 0.24 0.02 0.04 0.00 -0.55 0.00 0.00 56.30 56.05 3in6 h ASN 72 Cb -0.10 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 3in6 h ASN 72 CO -0.05 0.05 0.57 -0.07 -1.65 0.00 0.00 177.43 176.28 3in6 h LEU 73 N 0.13 0.93 -0.98 1.61 3.38 -1.05 0.21 115.31 119.54 3in6 h LEU 73 Ca 0.08 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.93 3in6 h LEU 73 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3in6 h LEU 73 CO -0.10 0.64 -0.51 0.11 0.09 0.00 0.00 178.44 178.68 3in6 h LYS 74 N 1.08 0.01 0.02 1.13 1.79 -1.01 0.11 116.57 119.70 3in6 h LYS 74 Ca 0.35 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.73 3in6 h LYS 74 Cb 0.04 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 3in6 h LYS 74 CO -0.11 0.51 -0.40 0.93 -1.08 0.00 0.00 179.45 179.31 3in6 h GLU 75 N 0.01 0.05 0.00 3.15 5.08 -0.50 -3.43 114.58 118.94 3in6 h GLU 75 Ca -0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 3in6 h GLU 75 Cb 0.90 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.17 3in6 h GLU 75 CO 0.07 1.04 -1.43 0.25 -1.00 0.00 0.00 179.01 177.93 3in6 n THR 76 N -4.48 0.16 0.00 1.13 -2.24 0.62 -4.91 114.28 104.57 3in6 n THR 76 Ca -0.15 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3in6 n THR 76 Cb 0.58 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 2.17 2.42 3.91 3.38 0.00 0.37 -4.98 105.19 112.45 3in6 n GLY 77 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 3.47 0.29 1.61 1.02 -1.26 -0.84 119.74 124.03 3in6 s LYS 78 Ca 0.00 -0.34 -0.19 0.00 0.02 0.00 0.00 55.97 55.46 3in6 s LYS 78 Cb 0.00 -3.04 0.06 0.00 -0.52 0.00 0.00 37.83 34.33 3in6 s LYS 78 CO 0.00 0.62 0.89 0.20 -0.92 0.00 0.00 175.35 176.14 3in6 s GLY 79 N -2.26 0.23 -0.14 -3.33 0.00 -0.44 -4.32 107.32 97.06 3in6 s GLY 79 Ca 0.33 -0.54 -0.08 0.00 0.00 0.00 0.00 44.72 44.43 3in6 s GLY 79 CO 0.24 0.76 0.33 0.54 0.00 0.00 0.00 173.10 174.98 3in6 s VAL 80 N -2.36 -0.03 0.14 1.40 0.11 -0.85 -0.60 120.40 118.21 3in6 s VAL 80 Ca 0.18 0.10 0.01 0.00 -2.93 0.00 0.00 61.98 59.33 3in6 s VAL 80 Cb -0.04 -0.50 0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3in6 s VAL 80 CO 0.08 0.04 0.20 0.49 -3.33 0.00 0.00 175.10 172.58 3in6 n PHE 81 N 4.02 -3.16 -3.24 1.54 3.72 0.68 -1.04 117.46 119.97 3in6 n PHE 81 Ca -0.22 -0.39 0.03 0.00 -0.05 0.00 0.00 57.45 56.82 3in6 n PHE 81 Cb 0.55 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 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 -0.26 -0.85 -0.19 -4.37 1.01 -0.88 -0.75 120.40 114.12 3in6 s VAL 83 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3in6 s VAL 83 Cb -0.01 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3in6 s VAL 83 CO 0.09 0.00 -0.12 -0.22 0.00 0.00 0.00 175.10 174.85 3in6 s LEU 84 N 2.86 2.58 -0.09 3.92 2.96 -0.97 -1.83 118.68 128.10 3in6 s LEU 84 Ca 0.12 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3in6 s LEU 84 Cb -0.13 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.92 3in6 s LEU 84 CO -0.19 0.03 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.95 3in6 s LEU 85 N 1.18 2.60 -0.06 -0.68 1.43 -0.02 -4.80 118.68 118.33 3in6 s LEU 85 Ca 0.02 -0.33 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 3in6 s LEU 85 Cb -0.14 -1.55 0.04 0.00 0.03 0.00 0.00 46.19 44.57 3in6 s LEU 85 CO -0.04 0.23 0.44 0.28 0.23 0.00 0.00 176.35 177.48 3in6 s THR 86 N -0.05 0.03 -1.42 5.49 -1.32 -1.26 -1.05 115.64 116.06 3in6 s THR 86 Ca -0.04 -0.25 0.30 0.00 -1.21 0.00 0.00 61.69 60.49 3in6 s THR 86 Cb -0.14 -0.72 0.50 0.00 -1.51 0.00 0.00 72.50 70.63 3in6 s THR 86 CO 0.04 -0.14 2.02 0.47 -2.21 0.00 0.00 174.62 174.80 3in6 n ASP 87 N 1.51 0.06 -1.84 8.08 8.00 -1.00 -4.90 116.55 126.45 3in6 n ASP 87 Ca -0.19 -0.16 -0.21 0.00 0.71 0.00 0.00 54.79 54.94 3in6 n ASP 87 Cb 0.56 -0.27 -0.06 0.00 -0.02 0.00 0.00 41.12 41.33 3in6 n ASP 87 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3in6 n ASN 88 N -1.26 -5.64 0.00 -2.24 3.02 -1.26 -4.76 115.26 103.11 3in6 n ASN 88 Ca 0.14 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 55.04 3in6 n ASN 88 Cb 0.25 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.55 3in6 n ASN 88 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3in6 n ASP 89 N -1.56 0.00 0.00 6.41 2.03 -1.26 -5.03 116.55 117.14 3in6 n ASP 89 Ca -0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.09 3in6 n ASP 89 Cb 0.69 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.09 3in6 n ASP 89 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3in6 n LYS 90 N -0.74 3.30 -2.96 -0.67 4.76 -1.26 -5.09 118.16 115.50 3in6 n LYS 90 Ca 0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.06 3in6 n LYS 90 Cb 0.00 -0.93 -0.06 0.00 -1.84 0.00 0.00 35.03 32.20 3in6 n LYS 90 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3in6 s SER 91 N -2.66 7.31 -0.06 4.39 0.01 -1.26 -4.98 113.70 116.45 3in6 s SER 91 Ca 0.00 1.64 -0.09 0.00 1.31 0.00 0.00 55.95 58.81 3in6 s SER 91 Cb 0.00 -2.50 0.02 0.00 0.21 0.00 0.00 66.02 63.75 3in6 s SER 91 CO 0.00 0.11 0.22 -1.59 0.41 0.00 0.00 173.24 172.39 3in6 s LYS 92 N -1.54 0.36 0.30 12.44 0.00 -1.26 -2.39 119.74 127.66 3in6 s LYS 92 Ca 0.41 0.10 -0.17 0.00 0.00 0.00 0.00 55.97 56.30 3in6 s LYS 92 Cb -0.21 0.16 0.02 0.00 0.00 0.00 0.00 37.83 37.81 3in6 s LYS 92 CO 0.25 -0.07 0.67 0.34 0.00 0.00 0.00 175.35 176.54 3in6 s ASP 93 N -0.39 -0.11 0.00 0.03 -1.08 -0.21 -5.00 116.67 109.91 3in6 s ASP 93 Ca -0.05 -0.84 0.00 0.00 -0.52 0.00 0.00 52.55 51.15 3in6 s ASP 93 Cb -0.03 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.15 3in6 s ASP 93 CO 0.01 -1.38 0.00 0.61 0.52 0.00 0.00 175.17 174.93 3in6 n GLY 94 N -0.46 0.26 3.48 2.66 0.00 -1.26 -0.84 105.19 109.03 3in6 n GLY 94 Ca -0.04 -1.31 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.83 0.00 -0.13 -0.61 1.10 -0.76 -4.11 121.20 112.86 3in6 s ILE 95 Ca 0.00 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.16 3in6 s ILE 95 Cb 0.00 -1.00 0.01 0.00 0.15 0.00 0.00 42.46 41.62 3in6 s ILE 95 CO 0.00 0.00 -0.18 -0.13 -2.11 0.00 0.00 174.94 172.52 3in6 s ARG 96 N -2.66 2.59 -0.27 3.50 0.52 -0.33 -2.07 118.95 120.22 3in6 s ARG 96 Ca -0.01 -0.69 0.01 0.00 -0.52 0.00 0.00 55.73 54.51 3in6 s ARG 96 Cb -0.01 -2.16 0.05 0.00 0.52 0.00 0.00 34.95 33.36 3in6 s ARG 96 CO -0.05 -0.06 -0.06 0.08 0.02 0.00 0.00 175.30 175.23 3in6 s VAL 97 N 0.95 2.56 0.01 3.52 1.01 0.07 -0.95 120.40 127.57 3in6 s VAL 97 Ca -0.06 -1.46 -0.27 0.00 0.00 0.00 0.00 61.98 60.20 3in6 s VAL 97 Cb -0.15 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3in6 s VAL 97 CO -0.03 -0.02 0.84 -0.31 0.00 0.00 0.00 175.10 175.58 3in6 s TYR 98 N 1.19 3.68 0.16 5.22 1.51 -0.17 -0.23 117.35 128.70 3in6 s TYR 98 Ca -0.06 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.52 3in6 s TYR 98 Cb -0.19 -2.94 -0.04 0.00 -0.11 0.00 0.00 41.96 38.67 3in6 s TYR 98 CO -0.04 0.12 0.04 0.14 -1.11 0.00 0.00 175.55 174.70 3in6 s VAL 99 N 0.53 0.38 -0.02 0.71 -7.23 0.23 -0.68 120.40 114.31 3in6 s VAL 99 Ca 0.43 -1.95 0.01 0.00 -1.81 0.00 0.00 61.98 58.67 3in6 s VAL 99 Cb -0.20 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.63 3in6 s VAL 99 CO 0.24 -0.44 -0.04 -1.61 -0.31 0.00 0.00 175.10 172.94 3in6 s GLU 100 N -3.99 0.50 0.08 4.82 2.02 -0.75 -1.33 118.70 120.05 3in6 s GLU 100 Ca 0.25 -0.12 -0.31 0.00 0.02 0.00 0.00 54.97 54.81 3in6 s GLU 100 Cb 0.07 -0.53 -0.09 0.00 0.10 0.00 0.00 34.13 33.69 3in6 s GLU 100 CO 0.04 0.02 1.66 -1.17 0.02 0.00 0.00 175.26 175.82 3in6 s LEU 101 N 0.34 4.37 -0.27 1.80 2.96 -0.02 -0.48 118.68 127.38 3in6 s LEU 101 Ca -0.04 2.52 -0.08 0.00 -0.22 0.00 0.00 54.13 56.32 3in6 s LEU 101 Cb -0.07 -3.57 -0.14 0.00 0.50 0.00 0.00 46.19 42.91 3in6 s LEU 101 CO -0.00 -0.89 -0.31 -1.20 -1.32 0.00 0.00 176.35 172.63 3in6 n SER 102 N 5.44 1.97 -3.97 3.68 7.64 0.50 -4.84 113.62 124.04 3in6 n SER 102 Ca 0.16 0.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.09 3in6 n SER 102 Cb 0.40 -0.65 -0.10 0.00 -1.01 0.00 0.00 64.21 62.85 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 0.07 -0.37 -0.43 0.00 -0.63 -4.97 121.76 112.93 3in6 s ALA 103 Ca -0.37 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 50.96 3in6 s ALA 103 Cb 0.13 0.20 0.11 0.00 0.00 0.00 0.00 23.12 23.56 3in6 s ALA 103 CO 0.53 -0.26 0.14 0.34 0.00 0.00 0.00 175.76 176.51 3in6 s ASP 104 N -1.95 4.07 -0.08 0.00 2.15 -1.26 -0.02 116.67 119.59 3in6 s ASP 104 Ca -0.08 -2.11 -0.01 0.00 0.43 0.00 0.00 52.55 50.78 3in6 s ASP 104 Cb -0.03 -1.10 -0.03 0.00 -0.30 0.00 0.00 42.92 41.45 3in6 s ASP 104 CO -0.04 -0.35 -0.02 -0.76 -0.17 0.00 0.00 175.17 173.83 3in6 s LEU 105 N 1.00 3.48 -0.02 -1.34 1.43 -0.22 -4.92 118.68 118.09 3in6 s LEU 105 Ca 0.13 0.10 0.17 0.00 -1.03 0.00 0.00 54.13 53.49 3in6 s LEU 105 Cb -0.20 -1.79 -0.25 0.00 0.03 0.00 0.00 46.19 43.97 3in6 s LEU 105 CO -0.13 0.37 0.37 0.00 0.23 0.00 0.00 176.35 177.19 3in6 n GLN 106 N 2.14 0.52 -4.03 1.70 3.00 -1.26 0.23 117.38 119.67 3in6 n GLN 106 Ca -0.18 -0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 56.56 3in6 n GLN 106 Cb 0.53 -1.39 -0.06 0.00 0.00 0.00 0.00 30.24 29.33 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 -3.13 1.52 0.00 -1.09 1.03 -1.26 -4.97 118.70 110.80 3in6 s GLU 107 Ca -0.06 -1.34 0.00 0.00 0.03 0.00 0.00 54.97 53.60 3in6 s GLU 107 Cb 0.11 0.44 0.00 0.00 -0.80 0.00 0.00 34.13 33.87 3in6 s GLU 107 CO 0.68 -0.61 0.00 0.41 -1.33 0.00 0.00 175.26 174.41 3in6 n GLY 108 N -0.37 1.06 0.20 -3.83 0.00 -1.26 -4.40 105.19 96.59 3in6 n GLY 108 Ca -0.01 -2.31 0.07 0.00 0.00 0.00 0.00 46.02 43.77 3in6 n GLY 108 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3in6 h GLU 109 N 0.00 0.00 -0.03 1.61 4.57 -2.02 0.60 114.58 119.32 3in6 h GLU 109 Ca 0.00 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.12 3in6 h GLU 109 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 3in6 h GLU 109 CO 0.00 0.32 -0.20 1.88 -1.18 0.00 0.00 179.01 179.83 3in6 h TYR 110 N 0.00 0.25 -0.72 0.92 0.05 -1.98 0.28 116.97 115.78 3in6 h TYR 110 Ca -0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.66 3in6 h TYR 110 Cb 0.80 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 38.47 3in6 h TYR 110 CO 0.00 0.85 0.44 0.35 -1.05 0.00 0.00 178.16 178.75 3in6 h PHE 111 N -0.41 0.93 -0.05 4.88 3.57 -1.66 -2.03 116.94 122.18 3in6 h PHE 111 Ca -0.02 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.30 3in6 h PHE 111 Cb 0.88 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.30 3in6 h PHE 111 CO 0.15 0.62 -0.76 0.22 -2.23 0.00 0.00 178.31 176.32 3in6 h ASP 112 N 0.97 0.39 -0.20 0.41 3.58 0.20 -2.16 116.42 119.61 3in6 h ASP 112 Ca 0.26 -0.27 -0.18 0.00 0.42 0.00 0.00 57.03 57.26 3in6 h ASP 112 Cb -0.05 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 3in6 h ASP 112 CO -0.05 1.01 -0.55 -0.09 -2.88 0.00 0.00 179.24 176.69 3in6 h ARG 113 N 0.21 0.80 0.00 0.28 2.43 -0.27 -0.91 114.38 116.91 3in6 h ARG 113 Ca -0.03 -0.50 -0.12 0.00 -0.81 0.00 0.00 59.98 58.51 3in6 h ARG 113 Cb 1.34 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.93 3in6 h ARG 113 CO 0.12 1.13 -0.58 0.97 -1.51 0.00 0.00 179.97 180.11 3in6 h ILE 114 N 0.61 1.37 -0.64 1.20 6.09 -1.42 -2.24 117.51 122.48 3in6 h ILE 114 Ca 0.01 -2.01 -0.09 0.00 -1.37 0.00 0.00 64.86 61.41 3in6 h ILE 114 Cb 1.14 2.09 -0.02 0.00 0.47 0.00 0.00 36.82 40.50 3in6 h ILE 114 CO 0.12 0.57 0.06 0.11 -3.07 0.00 0.00 178.15 175.93 3in6 h LYS 115 N 0.00 1.09 -0.74 2.19 6.56 -1.20 0.40 116.57 124.87 3in6 h LYS 115 Ca -0.01 -0.32 -0.04 0.00 -1.06 0.00 0.00 60.65 59.23 3in6 h LYS 115 Cb 1.05 -0.11 -0.03 0.00 -0.57 0.00 0.00 32.23 32.56 3in6 h LYS 115 CO 0.07 1.03 0.31 0.87 -2.06 0.00 0.00 179.45 179.67 3in6 h LYS 116 N 1.00 1.10 -0.54 3.15 6.56 -0.90 -1.72 116.57 125.22 3in6 h LYS 116 Ca 0.19 -0.19 -0.07 0.00 -1.06 0.00 0.00 60.65 59.51 3in6 h LYS 116 Cb 0.49 -0.18 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 3in6 h LYS 116 CO 0.02 0.90 0.04 -0.09 -2.06 0.00 0.00 179.45 178.26 3in6 h ARG 117 N 1.06 0.92 -0.54 3.15 2.43 -1.06 -2.98 114.38 117.36 3in6 h ARG 117 Ca 0.25 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3in6 h ARG 117 Cb 0.20 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 3in6 h ARG 117 CO -0.02 0.91 0.22 1.25 -1.51 0.00 0.00 179.97 180.82 3in6 h LEU 118 N 0.80 0.70 -2.30 3.80 5.85 -0.67 -2.53 115.31 120.96 3in6 h LEU 118 Ca 0.16 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 3in6 h LEU 118 Cb 0.47 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3in6 h LEU 118 CO 0.02 0.63 -0.04 0.44 -0.34 0.00 0.00 178.44 179.14 3in6 h ASP 119 N 0.76 0.00 -0.94 1.25 3.32 -1.15 -2.23 116.42 117.43 3in6 h ASP 119 Ca 0.18 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.67 3in6 h ASP 119 Cb 0.15 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.41 3in6 h ASP 119 CO -0.02 0.04 0.72 0.59 -1.72 0.00 0.00 179.24 178.85 3in6 n ASN 120 N -3.45 5.60 -4.03 6.45 5.03 -0.95 -4.73 115.26 119.18 3in6 n ASN 120 Ca -0.02 -3.60 -0.16 0.00 0.87 0.00 0.00 54.58 51.67 3in6 n ASN 120 Cb 0.16 -0.90 -0.09 0.00 -1.02 0.00 0.00 39.78 37.93 3in6 n ASN 120 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 3in6 s THR 121 N -3.79 0.20 0.49 3.41 2.01 -0.84 -5.03 115.64 112.09 3in6 s THR 121 Ca 0.57 -2.00 0.26 0.00 0.31 0.00 0.00 61.69 60.83 3in6 s THR 121 Cb 0.46 -2.53 0.30 0.00 0.01 0.00 0.00 72.50 70.75 3in6 s THR 121 CO 0.05 0.00 2.14 0.74 -0.69 0.00 0.00 174.62 176.85 3in6 h THR 122 N 2.38 0.65 -0.43 -0.82 2.02 -1.93 -2.56 112.91 112.22 3in6 h THR 122 Ca -0.34 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.49 3in6 h THR 122 Cb 1.25 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 68.83 3in6 h THR 122 CO 0.51 0.08 0.04 -1.22 0.37 0.00 0.00 175.52 175.30 3in6 n TYR 123 N -3.86 1.51 -0.34 3.16 4.01 -1.26 -4.43 117.16 115.96 3in6 n TYR 123 Ca -0.02 -0.59 0.11 0.00 -0.16 0.00 0.00 57.90 57.24 3in6 n TYR 123 Cb 0.17 -0.42 0.31 0.00 -0.31 0.00 0.00 39.34 39.09 3in6 n TYR 123 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 3in6 h LYS 124 N 2.57 0.79 0.00 -0.72 3.11 -1.46 -1.22 116.57 119.64 3in6 h LYS 124 Ca 0.04 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.83 3in6 h LYS 124 Cb 1.60 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 3in6 h LYS 124 CO 0.38 0.52 0.00 0.09 -2.81 0.00 0.00 179.45 177.64 3in6 n ASN 125 N -4.66 0.00 -4.65 4.20 3.02 -1.26 -4.75 115.26 107.16 3in6 n ASN 125 Ca 0.21 -0.17 -0.39 0.00 -0.03 0.00 0.00 54.58 54.20 3in6 n ASN 125 Cb 0.49 -0.25 -0.07 0.00 -0.61 0.00 0.00 39.78 39.34 3in6 n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3in6 s PHE 126 N -2.49 3.33 0.20 3.10 0.40 -0.46 -5.03 117.98 117.03 3in6 s PHE 126 Ca 0.25 0.70 -0.33 0.00 -0.60 0.00 0.00 56.93 56.96 3in6 s PHE 126 Cb 0.17 -2.67 -0.13 0.00 0.51 0.00 0.00 43.02 40.90 3in6 s PHE 126 CO 0.36 -0.15 1.64 -0.35 0.70 0.00 0.00 175.22 177.42 3in6 n PRO 127 N 5.02 2.47 -2.45 0.24 -0.04 -1.26 -4.90 135.00 134.07 3in6 n PRO 127 Ca -0.05 0.89 -0.43 0.00 -0.04 0.00 0.00 63.50 63.87 3in6 n PRO 127 Cb 0.50 -2.69 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 3in6 n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3in6 s LEU 128 N 0.89 3.57 -0.06 1.53 2.96 -1.26 -4.54 118.68 121.77 3in6 s LEU 128 Ca 0.75 0.61 -0.17 0.00 -0.22 0.00 0.00 54.13 55.11 3in6 s LEU 128 Cb -0.59 -3.48 -0.30 0.00 0.50 0.00 0.00 46.19 42.32 3in6 s LEU 128 CO 0.37 -1.41 0.73 0.11 -1.32 0.00 0.00 176.35 174.83 3in6 h LYS 129 N 10.20 0.33 -3.88 1.98 1.57 -1.44 -3.48 116.57 121.85 3in6 h LYS 129 Ca -0.26 -0.57 -0.11 0.00 -1.87 0.00 0.00 60.65 57.84 3in6 h LYS 129 Cb 1.09 0.21 -0.16 0.00 0.08 0.00 0.00 32.23 33.44 3in6 h LYS 129 CO 1.12 1.27 -0.51 -0.80 -0.57 0.00 0.00 179.45 179.95 3in6 s ASN 130 N -7.15 0.22 -0.32 0.86 -0.87 -0.88 -4.74 114.94 102.06 3in6 s ASN 130 Ca -0.16 -0.64 -0.01 0.00 -1.57 0.00 0.00 52.86 50.48 3in6 s ASN 130 Cb 0.04 0.25 0.07 0.00 -0.02 0.00 0.00 41.25 41.58 3in6 s ASN 130 CO 0.83 -0.58 0.03 0.00 -2.57 0.00 0.00 177.10 174.81 3in6 s LEU 132 N 1.19 4.28 -0.18 0.00 1.43 -0.45 -1.05 118.68 123.89 3in6 s LEU 132 Ca -0.02 1.03 -0.05 0.00 -1.03 0.00 0.00 54.13 54.06 3in6 s LEU 132 Cb -0.20 -2.94 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 3in6 s LEU 132 CO -0.03 -0.10 0.00 -0.69 0.23 0.00 0.00 176.35 175.77 3in6 s VAL 133 N 0.87 4.10 0.07 -1.59 1.01 0.97 -0.78 120.40 125.05 3in6 s VAL 133 Ca 0.33 -0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.11 3in6 s VAL 133 Cb -0.17 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3in6 s VAL 133 CO 0.15 0.45 -0.17 -0.36 0.00 0.00 0.00 175.10 175.17 3in6 s PHE 134 N 0.69 2.58 -0.16 5.22 0.08 0.84 0.19 117.98 127.41 3in6 s PHE 134 Ca -0.00 -0.24 -0.11 0.00 0.12 0.00 0.00 56.93 56.69 3in6 s PHE 134 Cb -0.14 -1.42 -0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3in6 s PHE 134 CO 0.02 0.32 0.22 0.21 -0.10 0.00 0.00 175.22 175.89 3in6 s LYS 135 N -1.76 4.11 -0.09 0.44 2.36 0.37 -1.96 119.74 123.21 3in6 s LYS 135 Ca 0.16 -0.04 -0.29 0.00 -2.55 0.00 0.00 55.97 53.25 3in6 s LYS 135 Cb -0.11 -3.38 -0.01 0.00 -1.05 0.00 0.00 37.83 33.28 3in6 s LYS 135 CO 0.08 0.35 1.00 0.42 1.55 0.00 0.00 175.35 178.75 3in6 s ILE 136 N 0.16 4.80 -0.24 5.43 1.01 -0.02 -1.81 121.20 130.53 3in6 s ILE 136 Ca 0.13 2.04 -0.05 0.00 0.00 0.00 0.00 60.65 62.77 3in6 s ILE 136 Cb -0.12 -4.31 -0.18 0.00 0.01 0.00 0.00 42.46 37.86 3in6 s ILE 136 CO 0.02 0.03 -0.13 0.52 0.00 0.00 0.00 174.94 175.38 3in6 n VAL 137 N 4.44 1.55 -3.54 2.92 0.31 0.14 -4.96 118.33 119.20 3in6 n VAL 137 Ca 0.08 -0.51 -0.17 0.00 -0.01 0.00 0.00 64.34 63.74 3in6 n VAL 137 Cb 0.49 -1.62 -0.06 0.00 -0.91 0.00 0.00 33.84 31.74 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 -2.51 0.97 -0.14 5.55 2.47 -1.19 -5.01 119.74 119.88 3in6 s LYS 138 Ca -0.33 0.33 0.02 0.00 -1.56 0.00 0.00 55.97 54.43 3in6 s LYS 138 Cb 0.10 0.46 0.01 0.00 -1.46 0.00 0.00 37.83 36.94 3in6 s LYS 138 CO 0.60 -0.28 -0.19 0.42 0.16 0.00 0.00 175.35 176.06 3in6 s ILE 139 N -0.98 1.84 0.24 5.43 1.01 -1.26 -0.99 121.20 126.48 3in6 s ILE 139 Ca -0.08 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.85 3in6 s ILE 139 Cb -0.01 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.76 3in6 s ILE 139 CO 0.08 0.51 -0.21 -0.76 0.00 0.00 0.00 174.94 174.55 3in6 s LEU 140 N 1.02 2.52 0.91 2.97 1.43 -0.12 -4.99 118.68 122.42 3in6 s LEU 140 Ca -0.04 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 51.99 3in6 s LEU 140 Cb -0.15 -1.08 0.14 0.00 0.03 0.00 0.00 46.19 45.13 3in6 s LEU 140 CO -0.05 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.52 3in6 s PRO 141 N -3.18 1.12 0.43 1.29 0.04 -1.26 -1.18 135.00 132.26 3in6 s PRO 141 Ca 0.25 1.08 0.14 0.00 0.04 0.00 0.00 61.00 62.51 3in6 s PRO 141 Cb -0.06 -1.77 1.02 0.00 0.04 0.00 0.00 34.50 33.73 3in6 s PRO 141 CO 0.12 -2.41 1.95 0.28 0.04 0.00 0.00 177.00 176.99 3in6 h VAL 142 N -1.68 0.86 -0.76 -0.36 2.07 -1.87 -3.40 116.25 111.11 3in6 h VAL 142 Ca -0.48 -0.15 0.12 0.00 0.82 0.00 0.00 66.70 67.00 3in6 h VAL 142 Cb 1.27 0.39 -0.21 0.00 -1.52 0.00 0.00 31.29 31.23 3in6 h VAL 142 CO 0.50 0.08 -0.20 -0.94 0.02 0.00 0.00 177.57 177.03 3in6 s SER 143 N -6.12 -1.15 -0.25 0.57 1.04 -1.26 -4.94 113.70 101.57 3in6 s SER 143 Ca -0.08 0.39 -0.29 0.00 0.48 0.00 0.00 55.95 56.45 3in6 s SER 143 Cb 0.20 1.83 -0.02 0.00 0.10 0.00 0.00 66.02 68.13 3in6 s SER 143 CO 0.76 -0.21 1.57 -0.76 0.98 0.00 0.00 173.24 175.58 3in6 s LEU 144 N 2.88 3.84 -0.22 2.42 1.43 -1.26 -4.99 118.68 122.78 3in6 s LEU 144 Ca 0.15 1.48 -0.01 0.00 -1.03 0.00 0.00 54.13 54.71 3in6 s LEU 144 Cb -0.10 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.65 3in6 s LEU 144 CO -0.21 -1.28 0.00 -0.22 0.23 0.00 0.00 176.35 174.87 3in6 s LEU 145 N 5.24 1.79 0.00 1.79 2.96 -1.26 -5.21 118.68 124.00 3in6 s LEU 145 Ca 0.69 -1.01 0.28 0.00 -0.22 0.00 0.00 54.13 53.87 3in6 s LEU 145 Cb -0.23 -0.84 1.08 0.00 0.50 0.00 0.00 46.19 46.70 3in6 s LEU 145 CO 0.29 -0.28 1.76 -2.11 -1.32 0.00 0.00 176.35 174.69