#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y s SER 2 N 0.00 0.00 -0.00 1.61 0.15 -1.26 -5.10 113.70 109.10 2k6y s SER 2 Ca 0.00 -0.83 0.10 0.00 0.70 0.00 0.00 55.95 55.92 2k6y s SER 2 Cb 0.00 0.62 -0.11 0.00 -1.71 0.00 0.00 66.02 64.82 2k6y s SER 2 CO 0.00 -1.23 0.39 0.49 1.20 0.00 0.00 173.24 174.09 2k6y n PHE 3 N -0.64 0.00 -0.85 3.44 3.72 -1.26 -4.63 117.46 117.24 2k6y n PHE 3 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2k6y n PHE 3 Cb 0.60 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2k6y n PHE 3 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2k6y n THR 4 N -1.31 0.05 -2.93 4.37 -1.04 -1.26 -5.08 114.28 107.08 2k6y n THR 4 Ca 0.01 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 61.79 2k6y n THR 4 Cb 0.17 1.55 0.05 0.00 -1.82 0.00 0.00 70.33 70.28 2k6y n THR 4 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2k6y n GLU 5 N -0.02 0.63 -4.02 -2.82 1.02 -1.26 -4.66 120.64 109.51 2k6y n GLU 5 Ca 0.00 -2.01 -0.26 0.00 -0.02 0.00 0.00 57.16 54.87 2k6y n GLU 5 Cb 0.29 -0.21 -0.04 0.00 -0.02 0.00 0.00 31.44 31.46 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k6y s GLY 6 N -3.81 1.72 -0.14 0.62 0.00 -1.26 -3.61 107.32 100.83 2k6y s GLY 6 Ca 0.41 -1.12 -0.26 0.00 0.00 0.00 0.00 44.72 43.75 2k6y s GLY 6 CO 0.26 -1.13 0.64 0.66 0.00 0.00 0.00 173.10 173.53 2k6y s TRP 7 N -1.74 -0.65 -0.10 1.90 -2.14 -0.54 -4.29 118.94 111.38 2k6y s TRP 7 Ca 0.33 1.37 -0.11 0.00 2.66 0.00 0.00 56.10 60.35 2k6y s TRP 7 Cb -0.11 0.30 -0.05 0.00 -3.10 0.00 0.00 33.47 30.52 2k6y s TRP 7 CO 0.26 -0.46 0.25 0.08 -2.66 0.00 0.00 176.95 174.41 2k6y s VAL 8 N -0.45 5.32 -0.70 -0.66 1.01 -0.19 -1.16 120.40 123.58 2k6y s VAL 8 Ca -0.06 0.46 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2k6y s VAL 8 Cb -0.03 -3.54 0.18 0.00 0.00 0.00 0.00 36.38 32.99 2k6y s VAL 8 CO 0.05 0.55 0.60 -0.60 0.00 0.00 0.00 175.10 175.70 2k6y s ARG 9 N -0.63 3.12 0.91 2.72 3.00 0.24 -0.32 118.95 127.99 2k6y s ARG 9 Ca 0.17 -2.33 -0.10 0.00 -1.00 0.00 0.00 55.73 52.47 2k6y s ARG 9 Cb -0.13 -4.16 0.14 0.00 0.00 0.00 0.00 34.95 30.80 2k6y s ARG 9 CO 0.06 -1.25 1.15 0.12 0.00 0.00 0.00 175.30 175.38 2k6y s PHE 10 N 0.38 1.60 -0.00 5.12 2.19 -0.40 -3.10 117.98 123.77 2k6y s PHE 10 Ca 0.15 1.79 -0.28 0.00 0.33 0.00 0.00 56.93 58.92 2k6y s PHE 10 Cb -0.17 -3.37 0.09 0.00 -1.31 0.00 0.00 43.02 38.26 2k6y s PHE 10 CO -0.05 -2.84 0.75 -1.12 1.83 0.00 0.00 175.22 173.78 2k6y s SER 11 N -2.61 -0.53 0.00 6.13 0.01 -1.26 -4.45 113.70 110.98 2k6y s SER 11 Ca 0.67 0.33 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2k6y s SER 11 Cb -0.23 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.48 2k6y s SER 11 CO 0.57 -0.67 1.72 -0.81 0.41 0.00 0.00 173.24 174.47 2k6y n PRO 12 N 0.30 0.90 -0.06 12.44 -0.04 -1.26 -4.90 135.00 142.39 2k6y n PRO 12 Ca -0.15 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.32 2k6y n PRO 12 Cb 0.60 -1.05 -0.00 0.00 -0.04 0.00 0.00 33.50 33.01 2k6y n PRO 12 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 13 N 1.45 -1.38 0.06 0.55 0.00 -1.26 -4.96 105.19 99.66 2k6y n GLY 13 Ca 0.00 -1.52 0.11 0.00 0.00 0.00 0.00 46.02 44.61 2k6y n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6y n PRO 14 N -1.30 0.11 -3.88 1.61 -0.04 -1.26 -4.94 135.00 125.29 2k6y n PRO 14 Ca 0.00 0.22 -0.08 0.00 -0.04 0.00 0.00 63.50 63.60 2k6y n PRO 14 Cb 0.03 -1.66 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 2k6y n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6y s ASN 15 N -3.65 -0.20 0.20 3.54 2.20 -1.26 -3.39 114.94 112.38 2k6y s ASN 15 Ca 0.09 -0.70 -0.13 0.00 -0.94 0.00 0.00 52.86 51.18 2k6y s ASN 15 Cb 0.13 0.63 0.05 0.00 -2.00 0.00 0.00 41.25 40.06 2k6y s ASN 15 CO 0.44 -1.19 0.67 0.00 -2.94 0.00 0.00 177.10 174.08 2k6y n ALA 16 N -0.40 -1.65 -2.73 3.54 0.00 -0.90 -4.62 120.51 113.75 2k6y n ALA 16 Ca -0.05 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.48 2k6y n ALA 16 Cb 0.61 0.56 -0.11 0.00 0.00 0.00 0.00 19.45 20.51 2k6y n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6y s ALA 17 N -1.76 0.31 -0.01 0.00 0.00 -1.18 -0.92 121.76 118.20 2k6y s ALA 17 Ca 0.14 -0.79 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2k6y s ALA 17 Cb -0.03 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 2k6y s ALA 17 CO 0.06 -0.19 -0.17 0.00 0.00 0.00 0.00 175.76 175.46 2k6y s ALA 18 N -2.09 1.41 0.11 0.00 0.00 -0.13 -0.59 121.76 120.46 2k6y s ALA 18 Ca -0.09 -0.74 0.07 0.00 0.00 0.00 0.00 51.96 51.20 2k6y s ALA 18 Cb -0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2k6y s ALA 18 CO -0.03 0.34 -0.16 0.71 0.00 0.00 0.00 175.76 176.62 2k6y s TYR 19 N -0.42 1.49 -0.28 0.00 2.02 -0.31 -1.67 117.35 118.18 2k6y s TYR 19 Ca 0.06 -0.48 -0.19 0.00 -0.37 0.00 0.00 57.07 56.09 2k6y s TYR 19 Cb -0.07 -0.80 0.11 0.00 -0.40 0.00 0.00 41.96 40.80 2k6y s TYR 19 CO -0.01 0.15 0.87 -0.48 -1.57 0.00 0.00 175.55 174.52 2k6y s LEU 20 N -2.11 -0.65 0.24 -1.29 0.05 -1.16 -1.46 118.68 112.30 2k6y s LEU 20 Ca 0.05 1.11 -0.30 0.00 0.05 0.00 0.00 54.13 55.05 2k6y s LEU 20 Cb -0.08 2.06 -0.09 0.00 -2.05 0.00 0.00 46.19 46.03 2k6y s LEU 20 CO 0.03 -0.18 1.04 -0.89 -0.55 0.00 0.00 176.35 175.80 2k6y s THR 21 N 1.06 3.81 -0.15 5.48 2.01 -1.24 -0.50 115.64 126.11 2k6y s THR 21 Ca -0.05 1.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.43 2k6y s THR 21 Cb -0.05 -4.12 0.07 0.00 0.01 0.00 0.00 72.50 68.41 2k6y s THR 21 CO -0.12 0.39 0.67 -0.22 -0.69 0.00 0.00 174.62 174.65 2k6y s LEU 22 N -1.10 -0.60 0.05 4.42 1.98 -0.80 -4.67 118.68 117.97 2k6y s LEU 22 Ca 0.44 1.03 0.08 0.00 -2.89 0.00 0.00 54.13 52.79 2k6y s LEU 22 Cb -0.29 2.41 -0.03 0.00 0.66 0.00 0.00 46.19 48.95 2k6y s LEU 22 CO 0.36 -0.42 -0.22 -1.61 -1.89 0.00 0.00 176.35 172.57 2k6y s GLU 23 N -0.43 1.48 -0.46 1.98 2.02 -1.26 -0.29 118.70 121.74 2k6y s GLU 23 Ca -0.06 -0.99 -0.24 0.00 0.02 0.00 0.00 54.97 53.70 2k6y s GLU 23 Cb -0.03 -1.62 0.03 0.00 0.10 0.00 0.00 34.13 32.61 2k6y s GLU 23 CO 0.05 0.41 0.86 1.21 0.02 0.00 0.00 175.26 177.81 2k6y s ASN 24 N -1.22 6.44 0.12 -0.19 3.84 -0.28 -4.96 114.94 118.69 2k6y s ASN 24 Ca 0.09 -0.05 0.25 0.00 0.21 0.00 0.00 52.86 53.36 2k6y s ASN 24 Cb -0.09 -2.42 0.53 0.00 -0.55 0.00 0.00 41.25 38.72 2k6y s ASN 24 CO 0.02 -1.00 1.48 -0.81 -2.79 0.00 0.00 177.10 173.99 2k6y n PRO 25 N 6.97 0.24 0.00 0.43 -0.04 -1.26 -1.37 135.00 139.97 2k6y n PRO 25 Ca 0.04 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2k6y n PRO 25 Cb 0.48 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2k6y n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6y n GLY 26 N 1.36 2.61 0.10 0.55 0.00 -1.26 -4.55 105.19 103.99 2k6y n GLY 26 Ca 0.04 -1.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.00 2k6y n GLY 26 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k6y n ASP 27 N 0.00 0.87 -4.63 1.61 5.75 -1.26 -3.37 116.55 115.51 2k6y n ASP 27 Ca 0.00 0.23 -0.24 0.00 -0.01 0.00 0.00 54.79 54.77 2k6y n ASP 27 Cb 0.00 0.11 -0.08 0.00 -1.03 0.00 0.00 41.12 40.13 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 2k6y s LEU 28 N -6.07 3.17 0.53 -2.12 0.05 -1.26 -4.74 118.68 108.24 2k6y s LEU 28 Ca -0.11 -0.62 -0.16 0.00 0.05 0.00 0.00 54.13 53.29 2k6y s LEU 28 Cb 0.07 -1.72 -0.07 0.00 -2.05 0.00 0.00 46.19 42.42 2k6y s LEU 28 CO 0.80 0.02 0.99 -2.16 -0.55 0.00 0.00 176.35 175.46 2k6y s PRO 29 N -3.50 3.88 -0.09 1.48 0.04 -1.26 -4.25 135.00 131.29 2k6y s PRO 29 Ca 0.30 0.93 0.04 0.00 0.04 0.00 0.00 61.00 62.31 2k6y s PRO 29 Cb -0.07 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 2k6y s PRO 29 CO 0.19 -0.33 -0.21 -0.51 0.04 0.00 0.00 177.00 176.18 2k6y s LEU 30 N -4.26 2.31 -0.26 -3.56 1.02 -0.27 -4.99 118.68 108.67 2k6y s LEU 30 Ca 0.58 -0.45 0.01 0.00 0.02 0.00 0.00 54.13 54.29 2k6y s LEU 30 Cb -0.10 -1.46 0.07 0.00 0.02 0.00 0.00 46.19 44.72 2k6y s LEU 30 CO 0.35 0.20 -0.01 -0.60 0.02 0.00 0.00 176.35 176.32 2k6y s ARG 31 N 0.09 1.42 -0.39 1.70 3.52 -1.26 0.25 118.95 124.28 2k6y s ARG 31 Ca -0.09 -1.15 -0.20 0.00 -0.13 0.00 0.00 55.73 54.16 2k6y s ARG 31 Cb -0.15 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.66 2k6y s ARG 31 CO 0.06 -0.73 0.60 -1.17 -0.81 0.00 0.00 175.30 173.25 2k6y s LEU 32 N 1.36 4.41 0.00 -0.88 2.96 0.41 -0.98 118.68 125.97 2k6y s LEU 32 Ca -0.00 -0.14 0.14 0.00 -0.22 0.00 0.00 54.13 53.91 2k6y s LEU 32 Cb -0.19 -2.69 -0.08 0.00 0.50 0.00 0.00 46.19 43.73 2k6y s LEU 32 CO -0.10 -0.65 0.69 1.33 -1.32 0.00 0.00 176.35 176.31 2k6y n VAL 33 N 5.66 0.00 -3.20 1.68 0.24 1.00 -0.51 118.33 123.19 2k6y n VAL 33 Ca -0.02 -0.26 0.00 0.00 -2.04 0.00 0.00 64.34 62.02 2k6y n VAL 33 Cb 0.48 1.08 0.00 0.00 -1.47 0.00 0.00 33.84 33.94 2k6y n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6y n GLY 34 N 1.21 -1.06 3.40 7.63 0.00 -1.14 -4.76 105.19 110.47 2k6y n GLY 34 Ca 0.04 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.09 2k6y n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6y s ALA 35 N -1.00 0.90 -0.39 4.61 0.00 -1.26 -0.97 121.76 123.65 2k6y s ALA 35 Ca 0.00 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.46 2k6y s ALA 35 Cb 0.00 1.26 0.17 0.00 0.00 0.00 0.00 23.12 24.55 2k6y s ALA 35 CO 0.00 -0.73 0.55 0.50 0.00 0.00 0.00 175.76 176.07 2k6y s ARG 36 N -3.54 0.73 0.13 0.00 3.52 0.88 -4.84 118.95 115.83 2k6y s ARG 36 Ca 0.33 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.61 2k6y s ARG 36 Cb 0.02 -0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.23 2k6y s ARG 36 CO 0.18 -1.17 0.13 -0.08 -0.81 0.00 0.00 175.30 173.55 2k6y s THR 37 N 1.83 4.64 0.20 4.11 -1.32 -1.26 -0.88 115.64 122.97 2k6y s THR 37 Ca 0.16 -0.89 0.16 0.00 -1.21 0.00 0.00 61.69 59.91 2k6y s THR 37 Cb -0.08 -3.32 0.07 0.00 -1.51 0.00 0.00 72.50 67.67 2k6y s THR 37 CO -0.08 -0.01 1.69 1.55 -2.21 0.00 0.00 174.62 175.56 2k6y h PRO 38 N 2.74 0.00 -0.01 7.08 0.13 -1.99 -3.34 132.00 136.61 2k6y h PRO 38 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k6y h PRO 38 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k6y h PRO 38 CO 0.65 0.46 -0.01 1.33 -0.23 0.00 0.00 178.00 180.21 2k6y n VAL 39 N -3.63 0.00 -4.57 1.56 0.24 -1.26 -3.91 118.33 106.76 2k6y n VAL 39 Ca -0.01 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 61.84 2k6y n VAL 39 Cb 0.55 0.49 -0.15 0.00 -1.47 0.00 0.00 33.84 33.26 2k6y n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6y s ALA 40 N -2.01 1.10 -0.00 2.33 0.00 -1.25 -4.19 121.76 117.73 2k6y s ALA 40 Ca 0.38 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.73 2k6y s ALA 40 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 2k6y s ALA 40 CO 0.34 0.26 0.40 1.49 0.00 0.00 0.00 175.76 178.25 2k6y h GLU 41 N 5.72 -0.06 -6.46 0.00 4.22 -1.39 -3.38 114.58 113.23 2k6y h GLU 41 Ca -0.34 0.00 -0.53 0.00 0.08 0.00 0.00 59.36 58.57 2k6y h GLU 41 Cb 1.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2k6y h GLU 41 CO 0.48 -0.04 -0.08 0.50 -2.18 0.00 0.00 179.01 177.69 2k6y s ARG 42 N -1.92 3.85 -0.18 1.92 3.52 -1.02 -4.90 118.95 120.22 2k6y s ARG 42 Ca -0.01 0.36 -0.16 0.00 -0.13 0.00 0.00 55.73 55.79 2k6y s ARG 42 Cb 0.00 -2.66 0.05 0.00 -1.56 0.00 0.00 34.95 30.78 2k6y s ARG 42 CO 0.03 0.32 0.48 0.54 -0.81 0.00 0.00 175.30 175.85 2k6y s VAL 43 N -1.79 -0.00 -0.03 7.11 0.11 -1.26 -1.46 120.40 123.08 2k6y s VAL 43 Ca 0.47 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.49 2k6y s VAL 43 Cb -0.12 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.07 2k6y s VAL 43 CO 0.20 0.00 0.08 -1.61 -3.33 0.00 0.00 175.10 170.44 2k6y s GLU 44 N 0.29 0.12 -0.18 1.54 2.02 -0.66 -4.80 118.70 117.02 2k6y s GLU 44 Ca -0.00 0.06 -0.28 0.00 0.02 0.00 0.00 54.97 54.77 2k6y s GLU 44 Cb -0.03 0.05 -0.00 0.00 0.10 0.00 0.00 34.13 34.24 2k6y s GLU 44 CO 0.00 -0.02 0.95 -1.17 0.02 0.00 0.00 175.26 175.04 2k6y s LEU 45 N -0.08 4.16 0.21 1.80 0.20 -1.26 -0.90 118.68 122.81 2k6y s LEU 45 Ca -0.01 1.32 0.08 0.00 0.69 0.00 0.00 54.13 56.21 2k6y s LEU 45 Cb -0.01 -3.42 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 2k6y s LEU 45 CO 0.00 -0.52 -0.00 -1.00 -0.29 0.00 0.00 176.35 174.54 2k6y s HIS 46 N 2.54 2.78 0.57 5.38 3.76 0.43 -0.58 115.29 130.17 2k6y s HIS 46 Ca 0.43 -0.18 0.08 0.00 -0.15 0.00 0.00 55.06 55.24 2k6y s HIS 46 Cb -0.16 -1.30 0.08 0.00 1.11 0.00 0.00 32.58 32.31 2k6y s HIS 46 CO 0.11 0.55 0.68 -0.85 -0.85 0.00 0.00 174.74 174.39 2k6y n GLU 47 N -0.45 0.63 -3.94 1.40 0.28 0.34 -1.02 120.64 117.87 2k6y n GLU 47 Ca -0.09 -3.20 -0.29 0.00 -0.16 0.00 0.00 57.16 53.42 2k6y n GLU 47 Cb 0.57 -0.06 -0.16 0.00 1.43 0.00 0.00 31.44 33.22 2k6y n GLU 47 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k6y s THR 48 N -2.62 1.36 0.29 3.84 2.01 0.86 -3.10 115.64 118.28 2k6y s THR 48 Ca 0.52 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.57 2k6y s THR 48 Cb -0.04 -1.51 -0.07 0.00 0.01 0.00 0.00 72.50 70.89 2k6y s THR 48 CO 0.33 0.11 0.62 0.72 -0.69 0.00 0.00 174.62 175.71 2k6y s PHE 49 N 1.51 3.44 -0.03 4.92 -0.12 0.16 -4.63 117.98 123.24 2k6y s PHE 49 Ca -0.01 0.90 -0.03 0.00 -0.05 0.00 0.00 56.93 57.74 2k6y s PHE 49 Cb -0.16 -2.30 -0.04 0.00 -0.63 0.00 0.00 43.02 39.89 2k6y s PHE 49 CO -0.08 0.14 0.15 0.00 -0.05 0.00 0.00 175.22 175.38 2k6y s MET 50 N -3.24 3.34 0.13 1.99 0.23 -1.26 -1.66 119.30 118.82 2k6y s MET 50 Ca 0.48 -0.33 -0.22 0.00 -1.03 0.00 0.00 55.69 54.59 2k6y s MET 50 Cb -0.11 -3.05 0.06 0.00 -1.53 0.00 0.00 34.83 30.21 2k6y s MET 50 CO 0.25 0.69 0.56 1.03 -2.03 0.00 0.00 175.02 175.51 2k6y s ARG 51 N -1.73 1.20 0.22 3.16 3.00 -0.80 -5.03 118.95 118.97 2k6y s ARG 51 Ca 0.24 -0.44 -0.11 0.00 0.00 0.00 0.00 55.73 55.42 2k6y s ARG 51 Cb -0.12 0.55 -0.07 0.00 0.00 0.00 0.00 34.95 35.30 2k6y s ARG 51 CO 0.15 -0.50 0.56 -1.21 0.00 0.00 0.00 175.30 174.30 2k6y s GLU 52 N -3.45 3.85 0.00 3.54 8.01 -1.26 -0.28 118.70 129.10 2k6y s GLU 52 Ca -0.00 0.35 0.00 0.00 0.01 0.00 0.00 54.97 55.33 2k6y s GLU 52 Cb -0.00 -2.69 0.00 0.00 -4.31 0.00 0.00 34.13 27.13 2k6y s GLU 52 CO -0.10 0.34 0.00 0.28 0.01 0.00 0.00 175.26 175.79 2k6y n VAL 53 N 0.04 0.00 0.18 2.63 0.31 -0.66 -4.91 118.33 115.92 2k6y n VAL 53 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2k6y n VAL 53 Cb 0.52 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N -1.09 0.81 0.00 5.55 2.13 -1.26 -4.63 120.64 122.16 2k6y n GLU 54 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2k6y n GLU 54 Cb 0.00 -1.10 0.00 0.00 0.27 0.00 0.00 31.44 30.61 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k6y n GLY 55 N 1.11 1.25 3.77 8.31 0.00 -1.26 -4.96 105.19 113.41 2k6y n GLY 55 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2k6y n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 56 N 0.00 2.79 0.26 1.61 1.02 -1.26 -5.03 119.74 119.13 2k6y s LYS 56 Ca 0.00 -0.90 -0.30 0.00 0.02 0.00 0.00 55.97 54.79 2k6y s LYS 56 Cb 0.00 -2.59 -0.09 0.00 -0.52 0.00 0.00 37.83 34.62 2k6y s LYS 56 CO 0.00 0.49 1.25 0.15 -0.92 0.00 0.00 175.35 176.32 2k6y s LYS 57 N -2.99 4.45 0.05 1.68 1.02 -1.26 -1.66 119.74 121.02 2k6y s LYS 57 Ca 0.30 2.03 0.03 0.00 0.02 0.00 0.00 55.97 58.35 2k6y s LYS 57 Cb -0.10 -3.16 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2k6y s LYS 57 CO 0.22 -0.11 -0.10 0.08 -0.92 0.00 0.00 175.35 174.52 2k6y s VAL 58 N -0.59 0.77 -0.01 3.17 1.01 0.61 -4.94 120.40 120.42 2k6y s VAL 58 Ca 0.51 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 61.48 2k6y s VAL 58 Cb -0.36 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2k6y s VAL 58 CO 0.43 -0.25 -0.17 -0.04 0.00 0.00 0.00 175.10 175.08 2k6y s MET 59 N -1.46 2.30 -0.00 2.72 1.00 -1.26 -1.91 119.30 120.69 2k6y s MET 59 Ca -0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 55.69 54.59 2k6y s MET 59 Cb -0.09 -2.27 0.05 0.00 0.00 0.00 0.00 34.83 32.52 2k6y s MET 59 CO 0.01 0.58 0.49 0.20 0.00 0.00 0.00 175.02 176.30 2k6y s GLY 60 N -1.00 -0.36 0.35 -0.03 0.00 -0.66 -5.00 107.32 100.61 2k6y s GLY 60 Ca 0.13 0.69 -0.01 0.00 0.00 0.00 0.00 44.72 45.53 2k6y s GLY 60 CO 0.02 0.41 0.56 1.06 0.00 0.00 0.00 173.10 175.15 2k6y s MET 61 N -1.71 3.51 -0.29 2.90 -1.94 -1.26 -0.67 119.30 119.84 2k6y s MET 61 Ca -0.10 -0.26 -0.25 0.00 -1.71 0.00 0.00 55.69 53.38 2k6y s MET 61 Cb -0.02 -2.64 0.16 0.00 2.01 0.00 0.00 34.83 34.34 2k6y s MET 61 CO 0.04 0.13 1.24 0.50 -0.01 0.00 0.00 175.02 176.92 2k6y s ARG 62 N -4.24 0.28 0.50 2.03 3.52 -1.18 -4.94 118.95 114.92 2k6y s ARG 62 Ca 0.41 0.32 -0.21 0.00 -0.13 0.00 0.00 55.73 56.13 2k6y s ARG 62 Cb -0.10 0.14 -0.07 0.00 -1.56 0.00 0.00 34.95 33.36 2k6y s ARG 62 CO 0.36 -0.03 1.12 -1.25 -0.81 0.00 0.00 175.30 174.69 2k6y s PRO 63 N 0.10 3.57 0.11 5.12 0.05 -1.26 -0.51 135.00 142.18 2k6y s PRO 63 Ca 0.05 1.62 0.07 0.00 0.05 0.00 0.00 61.00 62.80 2k6y s PRO 63 Cb -0.05 -2.16 -0.04 0.00 0.05 0.00 0.00 34.50 32.31 2k6y s PRO 63 CO -0.11 -0.68 -0.18 0.14 0.05 0.00 0.00 177.00 176.22 2k6y s VAL 64 N -1.72 1.56 -0.65 -0.36 -7.23 0.26 -4.82 120.40 107.42 2k6y s VAL 64 Ca 0.69 -1.61 0.23 0.00 -1.81 0.00 0.00 61.98 59.48 2k6y s VAL 64 Cb -0.24 -1.52 0.24 0.00 0.56 0.00 0.00 36.38 35.41 2k6y s VAL 64 CO 0.28 -0.21 1.71 -0.81 -0.31 0.00 0.00 175.10 175.76 2k6y n PRO 65 N 0.86 0.17 -3.61 4.82 -0.04 -1.26 -4.63 135.00 131.31 2k6y n PRO 65 Ca -0.18 0.32 -0.02 0.00 -0.04 0.00 0.00 63.50 63.58 2k6y n PRO 65 Cb 0.55 -1.77 -0.01 0.00 -0.04 0.00 0.00 33.50 32.22 2k6y n PRO 65 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2k6y s PHE 66 N -3.20 -0.09 0.40 0.54 -0.71 -1.26 -4.81 117.98 108.84 2k6y s PHE 66 Ca 0.07 0.01 0.06 0.00 -1.04 0.00 0.00 56.93 56.03 2k6y s PHE 66 Cb 0.11 0.53 -0.07 0.00 -1.21 0.00 0.00 43.02 42.37 2k6y s PHE 66 CO 0.43 -0.26 0.02 -0.51 -1.34 0.00 0.00 175.22 173.56 2k6y s LEU 67 N -2.56 2.72 0.30 -1.99 1.43 0.34 -5.02 118.68 113.90 2k6y s LEU 67 Ca 0.11 -1.38 -0.16 0.00 -1.03 0.00 0.00 54.13 51.67 2k6y s LEU 67 Cb 0.02 -0.79 0.02 0.00 0.03 0.00 0.00 46.19 45.46 2k6y s LEU 67 CO -0.04 -0.49 0.64 -1.83 0.23 0.00 0.00 176.35 174.86 2k6y s GLU 68 N -3.75 1.82 -0.13 1.70 -1.05 -1.26 -0.44 118.70 115.58 2k6y s GLU 68 Ca 0.35 -1.22 -0.05 0.00 -0.15 0.00 0.00 54.97 53.89 2k6y s GLU 68 Cb 0.10 0.56 0.06 0.00 -0.44 0.00 0.00 34.13 34.41 2k6y s GLU 68 CO 0.17 -0.81 0.28 0.08 0.95 0.00 0.00 175.26 175.93 2k6y s VAL 69 N -3.56 -0.34 0.75 1.83 1.01 0.14 -4.94 120.40 115.29 2k6y s VAL 69 Ca 0.17 0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 2k6y s VAL 69 Cb -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.92 2k6y s VAL 69 CO 0.10 0.10 1.08 -2.16 0.00 0.00 0.00 175.10 174.22 2k6y s PRO 70 N 2.15 2.46 0.36 2.72 0.04 -1.26 -1.12 135.00 140.35 2k6y s PRO 70 Ca -0.02 1.13 -0.28 0.00 0.04 0.00 0.00 61.00 61.87 2k6y s PRO 70 Cb -0.11 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2k6y s PRO 70 CO -0.09 -1.48 1.49 -0.35 0.04 0.00 0.00 177.00 176.60 2k6y n PRO 71 N -3.35 2.62 -0.14 0.56 -0.04 -1.26 -2.17 135.00 131.22 2k6y n PRO 71 Ca 0.09 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 2k6y n PRO 71 Cb 0.53 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6y n LYS 72 N 0.76 0.00 -2.76 0.54 4.76 -0.47 -4.96 118.16 116.03 2k6y n LYS 72 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 2k6y n LYS 72 Cb 0.38 -2.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.03 2k6y n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6y s GLY 73 N -2.00 2.75 0.25 0.72 0.00 -0.92 -4.84 107.32 103.29 2k6y s GLY 73 Ca 0.00 0.44 -0.14 0.00 0.00 0.00 0.00 44.72 45.01 2k6y s GLY 73 CO 0.00 1.66 0.66 1.09 0.00 0.00 0.00 173.10 176.51 2k6y s ARG 74 N 1.18 4.00 0.33 2.90 1.70 -1.26 -1.12 118.95 126.68 2k6y s ARG 74 Ca 0.49 0.59 0.07 0.00 -0.47 0.00 0.00 55.73 56.40 2k6y s ARG 74 Cb -0.20 -2.64 -0.06 0.00 -0.57 0.00 0.00 34.95 31.47 2k6y s ARG 74 CO 0.24 0.29 -0.03 0.14 -1.08 0.00 0.00 175.30 174.87 2k6y s VAL 75 N -1.78 1.73 -0.44 4.99 -7.23 0.60 -4.98 120.40 113.29 2k6y s VAL 75 Ca 0.48 -2.09 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 2k6y s VAL 75 Cb -0.12 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.32 2k6y s VAL 75 CO 0.19 -0.15 0.56 -0.70 -0.31 0.00 0.00 175.10 174.69 2k6y s GLU 76 N -3.74 0.88 -1.24 4.82 2.12 -1.26 -1.90 118.70 118.37 2k6y s GLU 76 Ca 0.33 -0.95 -0.16 0.00 0.36 0.00 0.00 54.97 54.55 2k6y s GLU 76 Cb 0.06 -0.37 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 2k6y s GLU 76 CO 0.15 -1.27 2.19 1.28 -0.54 0.00 0.00 175.26 177.07 2k6y n LEU 77 N 3.65 6.10 -4.79 2.70 4.32 0.35 -4.76 117.00 124.57 2k6y n LEU 77 Ca 0.16 -3.73 -0.34 0.00 -0.02 0.00 0.00 56.01 52.08 2k6y n LEU 77 Cb 0.52 -1.47 -0.00 0.00 -1.62 0.00 0.00 43.42 40.85 2k6y n LEU 77 CO 0.03 0.72 0.74 -1.59 -1.22 0.00 0.00 177.39 176.07 2k6y s LYS 78 N 3.67 3.44 0.08 3.23 -2.85 -1.05 -2.99 119.74 123.27 2k6y s LYS 78 Ca 0.51 1.43 -0.35 0.00 -1.00 0.00 0.00 55.97 56.56 2k6y s LYS 78 Cb 0.14 -2.03 -0.17 0.00 -2.06 0.00 0.00 37.83 33.71 2k6y s LYS 78 CO -0.02 -0.74 1.58 -1.00 0.10 0.00 0.00 175.35 175.26 2k6y h PRO 79 N 1.05 -0.97 -5.86 1.78 0.13 -1.93 -0.69 132.00 125.51 2k6y h PRO 79 Ca -0.49 0.07 -0.58 0.00 -0.87 0.00 0.00 66.00 64.12 2k6y h PRO 79 Cb 1.24 0.22 -0.08 0.00 0.13 0.00 0.00 31.00 32.51 2k6y h PRO 79 CO 0.57 -0.64 1.76 0.20 -0.23 0.00 0.00 178.00 179.66 2k6y s GLY 80 N -2.13 1.23 0.00 1.56 0.00 -1.26 -4.08 107.32 102.64 2k6y s GLY 80 Ca -0.18 -2.54 0.00 0.00 0.00 0.00 0.00 44.72 42.00 2k6y s GLY 80 CO 0.61 2.89 0.00 0.61 0.00 0.00 0.00 173.10 177.21 2k6y n GLY 81 N 5.94 -0.99 3.29 0.20 0.00 -1.22 -4.98 105.19 107.44 2k6y n GLY 81 Ca 0.44 0.37 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 2k6y n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6y s TYR 82 N 0.00 -0.55 0.27 1.61 2.02 -0.27 -0.09 117.35 120.34 2k6y s TYR 82 Ca 0.00 1.23 -0.20 0.00 -0.37 0.00 0.00 57.07 57.73 2k6y s TYR 82 Cb 0.00 0.22 0.06 0.00 -0.40 0.00 0.00 41.96 41.84 2k6y s TYR 82 CO 0.00 -0.29 0.88 -3.38 -1.57 0.00 0.00 175.55 171.19 2k6y s HIS 83 N 0.91 0.01 -0.19 2.71 -3.43 -0.19 -2.53 115.29 112.57 2k6y s HIS 83 Ca -0.06 -0.51 -0.05 0.00 -0.80 0.00 0.00 55.06 53.65 2k6y s HIS 83 Cb -0.06 0.74 -0.02 0.00 -1.43 0.00 0.00 32.58 31.81 2k6y s HIS 83 CO -0.07 -1.20 -0.01 -0.06 -2.00 0.00 0.00 174.74 171.40 2k6y s PHE 84 N -2.72 3.04 0.22 0.38 0.08 -0.67 -0.43 117.98 117.89 2k6y s PHE 84 Ca 0.16 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.59 2k6y s PHE 84 Cb -0.04 -2.06 -0.08 0.00 -0.57 0.00 0.00 43.02 40.27 2k6y s PHE 84 CO 0.07 -0.19 0.73 -1.64 -0.10 0.00 0.00 175.22 174.09 2k6y s MET 85 N 0.86 4.26 -0.02 0.44 -1.94 -0.08 -0.96 119.30 121.86 2k6y s MET 85 Ca 0.00 0.88 0.06 0.00 -1.71 0.00 0.00 55.69 54.93 2k6y s MET 85 Cb -0.14 -2.88 -0.01 0.00 2.01 0.00 0.00 34.83 33.80 2k6y s MET 85 CO 0.02 0.39 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.71 2k6y s LEU 86 N -1.97 2.02 0.04 -0.03 1.43 -0.10 -1.66 118.68 118.42 2k6y s LEU 86 Ca 0.43 -0.38 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 2k6y s LEU 86 Cb -0.17 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.95 2k6y s LEU 86 CO 0.21 0.24 -0.03 -0.76 0.23 0.00 0.00 176.35 176.23 2k6y s LEU 87 N -0.37 2.42 0.00 1.79 1.43 -0.54 -2.13 118.68 121.28 2k6y s LEU 87 Ca 0.05 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.29 2k6y s LEU 87 Cb -0.09 0.15 0.00 0.00 0.03 0.00 0.00 46.19 46.28 2k6y s LEU 87 CO 0.00 -0.51 0.00 0.61 0.23 0.00 0.00 176.35 176.68 2k6y n GLY 88 N 0.51 1.31 1.68 -3.19 0.00 -1.22 -1.11 105.19 103.18 2k6y n GLY 88 Ca -0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 2k6y n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6y n LEU 89 N 0.00 -2.79 0.00 0.99 4.77 -1.26 -4.80 117.00 113.90 2k6y n LEU 89 Ca 0.00 0.32 0.15 0.00 -0.03 0.00 0.00 56.01 56.44 2k6y n LEU 89 Cb 0.00 -1.37 0.85 0.00 -2.33 0.00 0.00 43.42 40.57 2k6y n LEU 89 CO 0.00 -0.60 1.04 2.29 -1.33 0.00 0.00 177.39 178.79 2k6y n LYS 90 N 0.21 0.84 -3.85 3.23 2.85 -1.26 -4.66 118.16 115.51 2k6y n LYS 90 Ca -0.04 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.11 2k6y n LYS 90 Cb 0.06 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 32.83 2k6y n LYS 90 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2k6y s ARG 91 N -2.10 0.34 -0.22 -1.58 0.52 -1.25 -5.00 118.95 109.66 2k6y s ARG 91 Ca 0.42 -0.15 -0.29 0.00 -0.52 0.00 0.00 55.73 55.19 2k6y s ARG 91 Cb 0.20 0.15 -0.02 0.00 0.52 0.00 0.00 34.95 35.80 2k6y s ARG 91 CO 0.36 -0.07 1.52 -1.25 0.02 0.00 0.00 175.30 175.88 2k6y s PRO 92 N -0.76 3.88 0.34 3.54 0.04 -1.26 -4.83 135.00 135.95 2k6y s PRO 92 Ca -0.08 1.60 -0.13 0.00 0.04 0.00 0.00 61.00 62.43 2k6y s PRO 92 Cb -0.05 -3.98 -0.08 0.00 0.04 0.00 0.00 34.50 30.44 2k6y s PRO 92 CO 0.01 -1.18 0.72 -0.48 0.04 0.00 0.00 177.00 176.11 2k6y s LEU 93 N 4.80 4.00 0.00 -3.56 0.05 -1.26 -5.02 118.68 117.69 2k6y s LEU 93 Ca 0.67 1.17 0.00 0.00 0.05 0.00 0.00 54.13 56.02 2k6y s LEU 93 Cb -0.23 -4.00 0.00 0.00 -2.05 0.00 0.00 46.19 39.91 2k6y s LEU 93 CO 0.27 -0.25 0.00 2.29 -0.55 0.00 0.00 176.35 178.10 2k6y n LYS 94 N -0.66 0.00 -1.06 1.48 0.00 -1.26 -4.92 118.16 111.74 2k6y n LYS 94 Ca 0.03 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.47 2k6y n LYS 94 Cb 0.53 -0.08 -0.05 0.00 -0.00 0.00 0.00 35.03 35.43 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y n ALA 95 N 0.00 -2.76 -2.42 0.58 0.00 -1.26 -5.00 120.51 109.65 2k6y n ALA 95 Ca 0.00 0.50 -0.06 0.00 0.00 0.00 0.00 53.44 53.88 2k6y n ALA 95 Cb 0.05 -1.05 0.01 0.00 0.00 0.00 0.00 19.45 18.46 2k6y n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 96 N -3.79 0.32 3.58 0.00 0.00 -1.26 -5.05 105.19 98.98 2k6y n GLY 96 Ca -0.03 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k6y s GLU 97 N -4.77 1.75 0.33 1.61 -1.05 -1.26 -5.08 118.70 110.23 2k6y s GLU 97 Ca 0.07 -1.46 0.09 0.00 -0.15 0.00 0.00 54.97 53.53 2k6y s GLU 97 Cb -0.03 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 2k6y s GLU 97 CO 0.09 -0.74 0.00 -1.83 0.95 0.00 0.00 175.26 173.73 2k6y s GLU 98 N -3.47 2.09 -0.22 -4.83 1.03 -1.26 -0.90 118.70 111.14 2k6y s GLU 98 Ca 0.25 -1.71 -0.02 0.00 0.03 0.00 0.00 54.97 53.51 2k6y s GLU 98 Cb -0.01 -1.95 0.07 0.00 -0.80 0.00 0.00 34.13 31.44 2k6y s GLU 98 CO 0.13 0.16 0.04 0.08 -1.33 0.00 0.00 175.26 174.35 2k6y s VAL 99 N -2.50 0.61 -0.67 1.83 1.01 0.77 -4.86 120.40 116.59 2k6y s VAL 99 Ca 0.34 -0.72 -0.26 0.00 0.00 0.00 0.00 61.98 61.34 2k6y s VAL 99 Cb -0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 2k6y s VAL 99 CO 0.19 -0.28 1.79 -1.61 0.00 0.00 0.00 175.10 175.19 2k6y s GLU 100 N 1.81 2.71 -0.11 2.72 2.02 -1.26 -1.72 118.70 124.86 2k6y s GLU 100 Ca 0.00 0.36 -0.09 0.00 0.02 0.00 0.00 54.97 55.26 2k6y s GLU 100 Cb -0.17 -4.46 -0.04 0.00 0.10 0.00 0.00 34.13 29.55 2k6y s GLU 100 CO -0.11 -2.72 0.19 -1.17 0.02 0.00 0.00 175.26 171.47 2k6y s LEU 101 N 8.68 4.38 0.00 1.80 0.20 -0.17 -4.24 118.68 129.33 2k6y s LEU 101 Ca 0.63 0.53 -0.16 0.00 0.69 0.00 0.00 54.13 55.81 2k6y s LEU 101 Cb -0.11 -2.17 -0.06 0.00 -0.43 0.00 0.00 46.19 43.42 2k6y s LEU 101 CO 0.17 0.36 0.46 -0.62 -0.29 0.00 0.00 176.35 176.43 2k6y s ASP 102 N -0.84 6.86 -0.26 3.68 2.15 -0.06 -0.10 116.67 128.11 2k6y s ASP 102 Ca 0.16 1.03 -0.10 0.00 0.43 0.00 0.00 52.55 54.06 2k6y s ASP 102 Cb -0.13 -2.29 -0.05 0.00 -0.30 0.00 0.00 42.92 40.16 2k6y s ASP 102 CO 0.05 0.27 0.17 -0.76 -0.17 0.00 0.00 175.17 174.72 2k6y s LEU 103 N -0.85 4.04 -0.27 -1.34 1.43 -0.21 -0.08 118.68 121.39 2k6y s LEU 103 Ca 0.25 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 2k6y s LEU 103 Cb -0.17 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 2k6y s LEU 103 CO 0.14 0.01 0.50 -0.76 0.23 0.00 0.00 176.35 176.47 2k6y s LEU 104 N 1.37 4.06 0.12 1.79 1.43 -0.15 -2.36 118.68 124.94 2k6y s LEU 104 Ca 0.07 0.46 0.09 0.00 -1.03 0.00 0.00 54.13 53.72 2k6y s LEU 104 Cb -0.15 -2.63 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2k6y s LEU 104 CO 0.07 -0.28 -0.16 -0.36 0.23 0.00 0.00 176.35 175.85 2k6y s PHE 105 N 2.28 2.58 0.82 0.29 0.40 -1.10 -0.00 117.98 123.25 2k6y s PHE 105 Ca 0.20 -0.24 -0.11 0.00 -0.60 0.00 0.00 56.93 56.18 2k6y s PHE 105 Cb -0.16 -1.35 0.08 0.00 0.51 0.00 0.00 43.02 42.10 2k6y s PHE 105 CO 0.09 0.41 1.09 0.00 0.70 0.00 0.00 175.22 177.51 2k6y s ALA 106 N -1.22 2.03 -0.60 5.36 0.00 -0.15 -4.06 121.76 123.12 2k6y s ALA 106 Ca 0.19 0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2k6y s ALA 106 Cb -0.10 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k6y s ALA 106 CO 0.11 -1.92 0.00 0.41 0.00 0.00 0.00 175.76 174.36 2k6y n GLY 107 N -1.44 0.79 1.80 0.00 0.00 -1.26 -4.09 105.19 100.99 2k6y n GLY 107 Ca 0.08 -0.80 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 2k6y n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 108 N -2.24 0.43 3.13 -0.02 0.00 -1.26 -5.10 105.19 100.13 2k6y n GLY 108 Ca -0.06 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 2k6y n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6y s LYS 109 N -3.21 0.62 -0.27 1.61 3.01 -1.26 -5.11 119.74 115.13 2k6y s LYS 109 Ca 0.07 -0.71 -0.25 0.00 -1.01 0.00 0.00 55.97 54.06 2k6y s LYS 109 Cb -0.01 0.25 0.13 0.00 -1.01 0.00 0.00 37.83 37.18 2k6y s LYS 109 CO 0.13 -0.16 1.05 0.54 0.51 0.00 0.00 175.35 177.42 2k6y s VAL 110 N -2.58 0.00 -0.24 3.17 0.11 -1.26 -2.70 120.40 116.90 2k6y s VAL 110 Ca -0.05 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.97 2k6y s VAL 110 Cb -0.01 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.97 2k6y s VAL 110 CO -0.04 0.00 0.35 -0.76 -3.33 0.00 0.00 175.10 171.32 2k6y s LEU 111 N 0.11 -0.54 -0.44 2.54 1.43 -1.00 -4.98 118.68 115.80 2k6y s LEU 111 Ca 0.03 0.12 -0.28 0.00 -1.03 0.00 0.00 54.13 52.98 2k6y s LEU 111 Cb -0.05 0.99 0.03 0.00 0.03 0.00 0.00 46.19 47.19 2k6y s LEU 111 CO -0.06 -0.31 1.05 -0.75 0.23 0.00 0.00 176.35 176.51 2k6y s LYS 112 N 2.51 3.75 -0.01 1.70 2.20 -1.26 -1.05 119.74 127.58 2k6y s LYS 112 Ca 0.12 0.55 0.06 0.00 -0.36 0.00 0.00 55.97 56.34 2k6y s LYS 112 Cb -0.15 -3.87 -0.03 0.00 -1.51 0.00 0.00 37.83 32.27 2k6y s LYS 112 CO -0.16 -1.22 -0.20 0.14 -0.36 0.00 0.00 175.35 173.56 2k6y s VAL 113 N 4.05 2.59 -0.28 4.02 -7.23 0.85 -4.94 120.40 119.46 2k6y s VAL 113 Ca 0.44 -1.01 -0.06 0.00 -1.81 0.00 0.00 61.98 59.53 2k6y s VAL 113 Cb -0.09 -2.00 0.00 0.00 0.56 0.00 0.00 36.38 34.85 2k6y s VAL 113 CO 0.26 0.51 0.06 0.54 -0.31 0.00 0.00 175.10 176.16 2k6y s VAL 114 N -0.75 3.88 0.13 1.32 0.11 -1.26 -1.00 120.40 122.84 2k6y s VAL 114 Ca 0.12 -0.62 0.09 0.00 -2.93 0.00 0.00 61.98 58.64 2k6y s VAL 114 Cb -0.10 -2.95 -0.04 0.00 -1.53 0.00 0.00 36.38 31.76 2k6y s VAL 114 CO 0.01 0.16 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.00 2k6y s LEU 115 N 1.50 2.66 0.63 2.54 2.01 -0.70 -4.96 118.68 122.36 2k6y s LEU 115 Ca 0.03 -0.60 -0.11 0.00 0.01 0.00 0.00 54.13 53.46 2k6y s LEU 115 Cb -0.17 -1.49 -0.03 0.00 0.01 0.00 0.00 46.19 44.51 2k6y s LEU 115 CO 0.02 0.17 1.03 -2.16 1.01 0.00 0.00 176.35 176.42 2k6y s PRO 116 N -2.22 3.49 -0.02 1.29 0.04 -1.26 -0.16 135.00 136.16 2k6y s PRO 116 Ca 0.18 0.79 -0.27 0.00 0.04 0.00 0.00 61.00 61.74 2k6y s PRO 116 Cb -0.10 -2.06 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 2k6y s PRO 116 CO 0.10 -0.66 0.85 0.08 0.04 0.00 0.00 177.00 177.41 2k6y s VAL 117 N -3.15 4.91 -0.09 -0.36 1.01 -0.08 -1.02 120.40 121.64 2k6y s VAL 117 Ca 0.56 1.78 -0.09 0.00 0.00 0.00 0.00 61.98 64.22 2k6y s VAL 117 Cb -0.12 -4.19 -0.05 0.00 0.00 0.00 0.00 36.38 32.03 2k6y s VAL 117 CO 0.54 0.22 0.22 -0.70 0.00 0.00 0.00 175.10 175.38 2k6y s GLU 118 N 0.79 3.61 0.00 2.72 2.56 0.56 -4.65 118.70 124.29 2k6y s GLU 118 Ca 0.45 0.03 0.16 0.00 0.00 0.00 0.00 54.97 55.61 2k6y s GLU 118 Cb -0.20 -3.21 0.44 0.00 2.00 0.00 0.00 34.13 33.16 2k6y s GLU 118 CO 0.24 0.74 1.36 0.00 -0.56 0.00 0.00 175.26 177.03 2k6y n ALA 119 N 1.99 2.28 -0.71 6.30 0.00 -1.26 -1.27 120.51 127.83 2k6y n ALA 119 Ca -0.18 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.08 2k6y n ALA 119 Cb 0.54 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.34 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37