#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 -0.22 -0.27 1.61 0.01 -1.26 -5.18 113.70 108.39 2k6y s SER 2 Ca 0.00 -0.61 -0.27 0.00 1.31 0.00 0.00 55.95 56.38 2k6y s SER 2 Cb 0.00 0.61 0.16 0.00 0.21 0.00 0.00 66.02 67.01 2k6y s SER 2 CO 0.00 -1.14 1.25 0.72 0.41 0.00 0.00 173.24 174.48 2k6y s PHE 3 N -3.92 -0.21 -0.21 2.43 -0.12 -1.26 -5.10 117.98 109.59 2k6y s PHE 3 Ca 0.13 0.45 -0.11 0.00 -0.05 0.00 0.00 56.93 57.34 2k6y s PHE 3 Cb -0.02 0.45 -0.19 0.00 -0.63 0.00 0.00 43.02 42.64 2k6y s PHE 3 CO 0.02 -0.13 0.02 2.41 -0.05 0.00 0.00 175.22 177.49 2k6y n THR 4 N 1.35 1.59 0.00 -4.49 -1.04 -1.26 -5.10 114.28 105.33 2k6y n THR 4 Ca -0.09 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2k6y n THR 4 Cb 0.57 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 2k6y n THR 4 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k6y n GLU 5 N -3.92 0.00 -4.46 -2.82 2.13 -1.26 -5.04 120.64 105.27 2k6y n GLU 5 Ca -0.41 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.21 2k6y n GLU 5 Cb 0.89 0.00 -0.15 0.00 0.27 0.00 0.00 31.44 32.44 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k6y s GLY 6 N 0.00 0.57 -0.08 8.31 0.00 -1.26 -1.65 107.32 113.20 2k6y s GLY 6 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 44.72 44.33 2k6y s GLY 6 CO 0.00 -0.21 -0.12 0.66 0.00 0.00 0.00 173.10 173.43 2k6y s TRP 7 N 0.03 1.58 -0.81 1.90 -2.14 -1.12 -3.98 118.94 114.40 2k6y s TRP 7 Ca -0.01 -0.66 -0.22 0.00 2.66 0.00 0.00 56.10 57.87 2k6y s TRP 7 Cb -0.07 -1.18 0.08 0.00 -3.10 0.00 0.00 33.47 29.20 2k6y s TRP 7 CO 0.00 -0.37 1.11 0.08 -2.66 0.00 0.00 176.95 175.12 2k6y s VAL 8 N 0.93 4.35 -0.57 -0.66 1.01 -0.25 -2.47 120.40 122.75 2k6y s VAL 8 Ca -0.09 -0.76 -0.28 0.00 0.00 0.00 0.00 61.98 60.84 2k6y s VAL 8 Cb -0.15 -4.79 0.02 0.00 0.00 0.00 0.00 36.38 31.46 2k6y s VAL 8 CO 0.00 -1.58 1.29 -0.60 0.00 0.00 0.00 175.10 174.21 2k6y s ARG 9 N 3.87 3.43 0.71 2.72 3.00 -1.20 -1.53 118.95 129.95 2k6y s ARG 9 Ca 0.30 0.35 -0.11 0.00 -1.00 0.00 0.00 55.73 55.27 2k6y s ARG 9 Cb -0.10 -4.06 0.01 0.00 0.00 0.00 0.00 34.95 30.81 2k6y s ARG 9 CO 0.01 -1.78 1.07 0.12 0.00 0.00 0.00 175.30 174.72 2k6y s PHE 10 N 5.40 3.01 0.09 5.12 5.36 0.61 -3.51 117.98 134.07 2k6y s PHE 10 Ca 0.47 1.45 -0.12 0.00 -0.96 0.00 0.00 56.93 57.77 2k6y s PHE 10 Cb -0.09 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.69 2k6y s PHE 10 CO 0.25 -1.33 0.28 -1.12 -1.46 0.00 0.00 175.22 171.84 2k6y s SER 11 N -3.69 -0.04 0.00 6.13 0.01 -1.26 -3.08 113.70 111.77 2k6y s SER 11 Ca 0.59 -0.47 0.19 0.00 1.31 0.00 0.00 55.95 57.57 2k6y s SER 11 Cb -0.15 0.39 1.07 0.00 0.21 0.00 0.00 66.02 67.54 2k6y s SER 11 CO 0.55 -0.75 1.58 -0.81 0.41 0.00 0.00 173.24 174.21 2k6y n PRO 12 N -0.02 0.45 0.00 12.44 -0.04 -1.26 -4.86 135.00 141.70 2k6y n PRO 12 Ca -0.16 0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2k6y n PRO 12 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.28 1.62 0.00 0.55 0.00 -1.26 -4.94 105.19 101.44 2k6y n GLY 13 Ca 0.12 -1.98 0.11 0.00 0.00 0.00 0.00 46.02 44.27 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 1.82 0.54 -4.44 1.61 -0.04 -1.26 -4.99 135.00 128.25 2k6y n PRO 14 Ca 0.00 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.28 2k6y n PRO 14 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 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 -2.27 2.32 0.28 3.54 2.20 -1.26 -1.48 114.94 118.26 2k6y s ASN 15 Ca 0.29 -1.37 -0.14 0.00 -0.94 0.00 0.00 52.86 50.70 2k6y s ASN 15 Cb 0.16 -0.07 0.01 0.00 -2.00 0.00 0.00 41.25 39.34 2k6y s ASN 15 CO 0.31 -0.61 0.57 0.00 -2.94 0.00 0.00 177.10 174.43 2k6y s ALA 16 N -3.31 -0.42 -0.14 3.54 0.00 -0.66 -4.52 121.76 116.24 2k6y s ALA 16 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2k6y s ALA 16 Cb 0.09 0.99 0.02 0.00 0.00 0.00 0.00 23.12 24.21 2k6y s ALA 16 CO 0.15 -0.91 -0.14 0.00 0.00 0.00 0.00 175.76 174.87 2k6y s ALA 17 N -3.71 1.80 0.09 0.00 0.00 -1.23 -1.52 121.76 117.19 2k6y s ALA 17 Ca 0.20 -0.86 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2k6y s ALA 17 Cb -0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 2k6y s ALA 17 CO 0.10 -0.36 -0.08 0.00 0.00 0.00 0.00 175.76 175.43 2k6y s ALA 18 N 1.46 3.03 0.14 0.00 0.00 -0.48 -3.22 121.76 122.70 2k6y s ALA 18 Ca 0.04 -1.18 0.01 0.00 0.00 0.00 0.00 51.96 50.83 2k6y s ALA 18 Cb -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2k6y s ALA 18 CO -0.10 0.65 -0.02 0.71 0.00 0.00 0.00 175.76 177.01 2k6y s TYR 19 N -1.20 1.05 -0.24 0.00 2.02 -1.03 -1.72 117.35 116.23 2k6y s TYR 19 Ca 0.22 -1.01 -0.27 0.00 -0.37 0.00 0.00 57.07 55.64 2k6y s TYR 19 Cb -0.11 -0.60 0.13 0.00 -0.40 0.00 0.00 41.96 40.98 2k6y s TYR 19 CO 0.14 -0.23 1.05 -0.48 -1.57 0.00 0.00 175.55 174.46 2k6y s LEU 20 N -3.11 -0.39 -0.97 -1.29 2.34 -1.26 -2.80 118.68 111.20 2k6y s LEU 20 Ca 0.19 0.65 -0.24 0.00 0.06 0.00 0.00 54.13 54.79 2k6y s LEU 20 Cb 0.06 1.82 -0.05 0.00 -0.56 0.00 0.00 46.19 47.45 2k6y s LEU 20 CO 0.00 -0.21 1.94 -0.89 -1.06 0.00 0.00 176.35 176.13 2k6y s THR 21 N -0.26 3.48 0.35 5.48 2.01 -0.66 -1.43 115.64 124.60 2k6y s THR 21 Ca 0.02 -0.50 -0.26 0.00 0.31 0.00 0.00 61.69 61.25 2k6y s THR 21 Cb -0.03 -4.15 -0.09 0.00 0.01 0.00 0.00 72.50 68.24 2k6y s THR 21 CO -0.04 -0.98 1.06 -0.22 -0.69 0.00 0.00 174.62 173.75 2k6y s LEU 22 N 10.18 4.32 0.02 4.42 0.20 -0.20 -4.69 118.68 132.93 2k6y s LEU 22 Ca 0.69 2.11 0.06 0.00 0.69 0.00 0.00 54.13 57.69 2k6y s LEU 22 Cb -0.05 -3.96 -0.02 0.00 -0.43 0.00 0.00 46.19 41.73 2k6y s LEU 22 CO 0.02 -0.33 -0.19 -1.83 -0.29 0.00 0.00 176.35 173.74 2k6y s GLU 23 N -2.05 1.34 -0.52 1.98 -1.05 -1.26 -0.33 118.70 116.81 2k6y s GLU 23 Ca 0.52 -0.82 -0.15 0.00 -0.15 0.00 0.00 54.97 54.37 2k6y s GLU 23 Cb -0.26 -1.38 0.12 0.00 -0.44 0.00 0.00 34.13 32.17 2k6y s GLU 23 CO 0.32 0.36 0.47 1.21 0.95 0.00 0.00 175.26 178.57 2k6y s ASN 24 N -0.93 6.13 0.00 0.83 2.47 -0.17 -4.95 114.94 118.33 2k6y s ASN 24 Ca 0.06 -1.72 0.28 0.00 0.42 0.00 0.00 52.86 51.90 2k6y s ASN 24 Cb -0.08 -2.19 1.32 0.00 -1.45 0.00 0.00 41.25 38.85 2k6y s ASN 24 CO 0.01 -0.81 1.94 -0.81 -3.72 0.00 0.00 177.10 173.71 2k6y n PRO 25 N 5.21 0.21 -2.19 0.43 -0.04 -1.26 -0.96 135.00 136.40 2k6y n PRO 25 Ca -0.13 0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.07 2k6y n PRO 25 Cb 0.41 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 2k6y n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6y s GLY 26 N -2.78 1.79 0.00 0.55 0.00 -1.26 -4.67 107.32 100.96 2k6y s GLY 26 Ca 0.20 -1.53 0.15 0.00 0.00 0.00 0.00 44.72 43.55 2k6y s GLY 26 CO 0.47 -0.77 0.86 1.22 0.00 0.00 0.00 173.10 174.88 2k6y n ASP 27 N -3.51 1.78 -4.56 1.64 9.92 -1.26 -2.34 116.55 118.22 2k6y n ASP 27 Ca 0.17 -1.39 -0.25 0.00 -0.53 0.00 0.00 54.79 52.79 2k6y n ASP 27 Cb 0.60 0.32 -0.09 0.00 -0.64 0.00 0.00 41.12 41.30 2k6y n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6y s LEU 28 N -1.73 2.81 0.51 0.64 0.05 -1.26 -4.80 118.68 114.90 2k6y s LEU 28 Ca 0.14 -1.02 -0.16 0.00 0.05 0.00 0.00 54.13 53.14 2k6y s LEU 28 Cb 0.12 -1.22 -0.08 0.00 -2.05 0.00 0.00 46.19 42.96 2k6y s LEU 28 CO 0.31 -0.11 0.97 -2.16 -0.55 0.00 0.00 176.35 174.82 2k6y s PRO 29 N -3.61 3.95 -0.20 1.48 0.04 -1.26 -4.19 135.00 131.20 2k6y s PRO 29 Ca 0.32 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.22 2k6y s PRO 29 Cb -0.02 -2.15 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2k6y s PRO 29 CO 0.17 -0.25 0.07 -0.51 0.04 0.00 0.00 177.00 176.53 2k6y s LEU 30 N -4.02 3.74 -0.40 -3.56 1.43 -0.02 -4.97 118.68 110.87 2k6y s LEU 30 Ca 0.59 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.56 2k6y s LEU 30 Cb -0.10 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.19 2k6y s LEU 30 CO 0.31 0.11 0.27 -0.60 0.23 0.00 0.00 176.35 176.66 2k6y s ARG 31 N 0.76 2.87 -0.26 1.70 6.06 -1.26 -0.17 118.95 128.65 2k6y s ARG 31 Ca 0.04 -1.13 -0.15 0.00 -2.50 0.00 0.00 55.73 51.99 2k6y s ARG 31 Cb -0.13 -3.87 -0.04 0.00 0.06 0.00 0.00 34.95 30.97 2k6y s ARG 31 CO 0.02 -0.78 0.39 -1.17 -2.50 0.00 0.00 175.30 171.26 2k6y s LEU 32 N 1.60 4.05 -0.01 -0.88 2.96 -0.28 -0.81 118.68 125.31 2k6y s LEU 32 Ca 0.03 0.34 0.16 0.00 -0.22 0.00 0.00 54.13 54.45 2k6y s LEU 32 Cb -0.20 -2.46 -0.21 0.00 0.50 0.00 0.00 46.19 43.81 2k6y s LEU 32 CO 0.07 -0.18 0.53 1.33 -1.32 0.00 0.00 176.35 176.78 2k6y n VAL 33 N 5.04 0.00 -3.23 1.68 0.24 0.79 -0.50 118.33 122.35 2k6y n VAL 33 Ca -0.08 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2k6y n VAL 33 Cb 0.51 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.46 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 1.47 -1.12 3.34 7.63 0.00 -1.16 -4.69 105.19 110.66 2k6y n GLY 34 Ca 0.00 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 2.08 -0.13 4.61 0.00 -1.26 -1.12 121.76 124.94 2k6y s ALA 35 Ca 0.00 -1.76 -0.25 0.00 0.00 0.00 0.00 51.96 49.95 2k6y s ALA 35 Cb 0.00 1.21 0.06 0.00 0.00 0.00 0.00 23.12 24.39 2k6y s ALA 35 CO 0.00 -0.54 0.61 0.50 0.00 0.00 0.00 175.76 176.33 2k6y s ARG 36 N -3.67 0.86 0.05 0.00 6.06 -0.43 -4.86 118.95 116.95 2k6y s ARG 36 Ca 0.35 0.48 -0.13 0.00 -2.50 0.00 0.00 55.73 53.94 2k6y s ARG 36 Cb 0.03 0.41 0.02 0.00 0.06 0.00 0.00 34.95 35.47 2k6y s ARG 36 CO 0.21 -0.20 0.27 -0.08 -2.50 0.00 0.00 175.30 173.00 2k6y s THR 37 N -0.51 0.09 0.32 4.11 -1.32 -1.26 -0.22 115.64 116.84 2k6y s THR 37 Ca -0.06 -0.75 0.20 0.00 -1.21 0.00 0.00 61.69 59.87 2k6y s THR 37 Cb -0.03 -0.96 0.18 0.00 -1.51 0.00 0.00 72.50 70.19 2k6y s THR 37 CO 0.05 -0.41 1.89 1.55 -2.21 0.00 0.00 174.62 175.48 2k6y h PRO 38 N 3.23 0.00 0.00 7.08 0.13 -2.00 -3.30 132.00 137.14 2k6y h PRO 38 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2k6y h PRO 38 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k6y h PRO 38 CO 0.47 0.27 0.00 1.33 -0.23 0.00 0.00 178.00 179.84 2k6y n VAL 39 N -3.75 0.40 -4.05 1.56 0.24 -1.26 -4.71 118.33 106.76 2k6y n VAL 39 Ca -0.01 -0.07 -0.08 0.00 -2.04 0.00 0.00 64.34 62.14 2k6y n VAL 39 Cb 0.37 -0.64 -0.10 0.00 -1.47 0.00 0.00 33.84 32.00 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 -3.07 0.36 -0.10 2.33 0.00 -1.24 -1.95 121.76 118.08 2k6y s ALA 40 Ca 0.11 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 2k6y s ALA 40 Cb 0.15 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 2k6y s ALA 40 CO 0.52 -0.29 -0.22 -1.91 0.00 0.00 0.00 175.76 173.86 2k6y n GLU 41 N 0.67 0.33 -2.75 0.00 4.07 -0.12 -4.57 120.64 118.26 2k6y n GLU 41 Ca -0.18 0.13 -0.36 0.00 -0.06 0.00 0.00 57.16 56.70 2k6y n GLU 41 Cb 0.59 -1.06 -0.06 0.00 -0.06 0.00 0.00 31.44 30.84 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 -0.06 0.00 0.00 177.13 177.57 2k6y s ARG 42 N -2.28 4.39 -0.18 5.31 3.52 0.20 -4.97 118.95 124.93 2k6y s ARG 42 Ca -0.18 1.29 -0.12 0.00 -0.13 0.00 0.00 55.73 56.59 2k6y s ARG 42 Cb 0.02 -2.54 0.06 0.00 -1.56 0.00 0.00 34.95 30.93 2k6y s ARG 42 CO 0.27 0.10 0.46 0.54 -0.81 0.00 0.00 175.30 175.85 2k6y s VAL 43 N -1.81 -0.01 -0.03 7.11 0.11 -1.26 -1.20 120.40 123.30 2k6y s VAL 43 Ca 0.56 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.65 2k6y s VAL 43 Cb -0.16 -0.66 0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2k6y s VAL 43 CO 0.21 0.02 0.06 -1.61 -3.33 0.00 0.00 175.10 170.45 2k6y s GLU 44 N 1.01 -0.01 -0.18 1.54 2.02 -0.12 -4.95 118.70 118.00 2k6y s GLU 44 Ca -0.06 0.25 -0.25 0.00 0.02 0.00 0.00 54.97 54.93 2k6y s GLU 44 Cb -0.06 -0.25 -0.01 0.00 0.10 0.00 0.00 34.13 33.91 2k6y s GLU 44 CO -0.09 -0.18 0.84 -1.17 0.02 0.00 0.00 175.26 174.69 2k6y s LEU 45 N 1.19 4.16 0.26 1.80 0.20 -1.26 -0.62 118.68 124.40 2k6y s LEU 45 Ca -0.08 1.17 0.09 0.00 0.69 0.00 0.00 54.13 56.00 2k6y s LEU 45 Cb -0.13 -3.25 -0.04 0.00 -0.43 0.00 0.00 46.19 42.35 2k6y s LEU 45 CO -0.04 -0.43 0.04 -1.00 -0.29 0.00 0.00 176.35 174.64 2k6y s HIS 46 N 2.29 2.79 0.53 5.38 3.76 0.24 -1.08 115.29 129.20 2k6y s HIS 46 Ca 0.38 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.12 2k6y s HIS 46 Cb -0.16 -1.24 0.01 0.00 1.11 0.00 0.00 32.58 32.30 2k6y s HIS 46 CO 0.11 0.60 0.14 -1.83 -0.85 0.00 0.00 174.74 172.91 2k6y s GLU 47 N -3.71 2.23 -0.04 1.40 -1.05 0.17 -0.73 118.70 116.97 2k6y s GLU 47 Ca 0.32 -2.30 0.02 0.00 -0.15 0.00 0.00 54.97 52.86 2k6y s GLU 47 Cb -0.07 -1.72 0.01 0.00 -0.44 0.00 0.00 34.13 31.92 2k6y s GLU 47 CO 0.21 -0.48 -0.10 0.99 0.95 0.00 0.00 175.26 176.83 2k6y s THR 48 N -2.86 0.88 0.11 1.83 2.01 0.74 -2.93 115.64 115.42 2k6y s THR 48 Ca 0.13 -0.38 0.08 0.00 0.31 0.00 0.00 61.69 61.84 2k6y s THR 48 Cb -0.00 -0.80 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 2k6y s THR 48 CO 0.08 0.28 -0.20 0.72 -0.69 0.00 0.00 174.62 174.82 2k6y s PHE 49 N 0.43 1.73 0.41 4.92 -0.12 -0.20 -4.65 117.98 120.51 2k6y s PHE 49 Ca -0.08 -0.43 -0.13 0.00 -0.05 0.00 0.00 56.93 56.24 2k6y s PHE 49 Cb -0.12 -0.94 -0.07 0.00 -0.63 0.00 0.00 43.02 41.26 2k6y s PHE 49 CO 0.01 0.21 0.81 0.00 -0.05 0.00 0.00 175.22 176.20 2k6y s MET 50 N -2.05 3.87 -0.14 1.99 0.23 -1.26 -1.70 119.30 120.23 2k6y s MET 50 Ca 0.07 0.62 0.12 0.00 -1.03 0.00 0.00 55.69 55.47 2k6y s MET 50 Cb -0.09 -2.34 0.27 0.00 -1.53 0.00 0.00 34.83 31.14 2k6y s MET 50 CO 0.04 -0.05 1.22 -2.13 -2.03 0.00 0.00 175.02 172.07 2k6y n ARG 51 N -1.16 0.67 -1.67 3.16 3.00 -0.35 -4.93 116.66 115.38 2k6y n ARG 51 Ca 0.04 -1.59 -0.39 0.00 -0.00 0.00 0.00 57.85 55.91 2k6y n ARG 51 Cb 0.54 0.10 0.04 0.00 0.00 0.00 0.00 32.46 33.13 2k6y n ARG 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k6y n GLU 52 N -0.49 1.37 -3.67 -0.14 4.71 -1.26 -4.67 120.64 116.49 2k6y n GLU 52 Ca -0.14 0.51 -0.12 0.00 -0.01 0.00 0.00 57.16 57.39 2k6y n GLU 52 Cb 0.85 -2.33 -0.08 0.00 -1.01 0.00 0.00 31.44 28.86 2k6y n GLU 52 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2k6y s VAL 53 N -1.36 -0.00 -1.99 2.62 1.01 -1.15 -4.93 120.40 114.59 2k6y s VAL 53 Ca 0.71 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.70 2k6y s VAL 53 Cb -0.45 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2k6y s VAL 53 CO 0.50 0.01 0.00 1.21 0.00 0.00 0.00 175.10 176.82 2k6y n GLU 54 N 3.25 -1.47 -0.75 2.72 2.13 -1.26 -1.40 120.64 123.86 2k6y n GLU 54 Ca -0.16 1.13 0.00 0.00 0.66 0.00 0.00 57.16 58.79 2k6y n GLU 54 Cb 0.56 -5.57 0.00 0.00 0.27 0.00 0.00 31.44 26.70 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 -0.68 0.48 3.74 8.31 0.00 -1.26 -4.99 105.19 110.78 2k6y n GLY 55 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.53 4.43 -0.05 1.61 1.02 -0.50 -5.06 119.74 120.67 2k6y s LYS 56 Ca 0.00 0.92 -0.06 0.00 0.02 0.00 0.00 55.97 56.84 2k6y s LYS 56 Cb 0.00 -3.39 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2k6y s LYS 56 CO 0.00 0.22 0.21 -1.59 -0.92 0.00 0.00 175.35 173.27 2k6y s LYS 57 N 0.24 3.52 -0.21 1.68 0.00 -1.26 -2.95 119.74 120.76 2k6y s LYS 57 Ca 0.36 -0.12 -0.18 0.00 0.00 0.00 0.00 55.97 56.04 2k6y s LYS 57 Cb -0.19 -3.14 0.06 0.00 0.00 0.00 0.00 37.83 34.56 2k6y s LYS 57 CO 0.20 0.71 0.55 0.08 0.00 0.00 0.00 175.35 176.89 2k6y s VAL 58 N -1.19 -0.00 -0.02 1.79 1.01 -1.26 -4.99 120.40 115.74 2k6y s VAL 58 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.20 2k6y s VAL 58 Cb -0.13 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.49 2k6y s VAL 58 CO 0.12 0.00 0.05 0.00 0.00 0.00 0.00 175.10 175.27 2k6y s MET 59 N 0.51 0.05 0.31 2.72 0.23 -1.26 -1.21 119.30 120.66 2k6y s MET 59 Ca -0.02 0.08 0.04 0.00 -1.03 0.00 0.00 55.69 54.76 2k6y s MET 59 Cb -0.04 -0.00 -0.03 0.00 -1.53 0.00 0.00 34.83 33.22 2k6y s MET 59 CO -0.02 -0.02 0.18 0.20 -2.03 0.00 0.00 175.02 173.33 2k6y s GLY 60 N 0.14 2.15 0.15 3.16 0.00 -0.69 -4.99 107.32 107.25 2k6y s GLY 60 Ca -0.01 -1.77 0.06 0.00 0.00 0.00 0.00 44.72 43.00 2k6y s GLY 60 CO -0.00 -1.57 -0.14 1.06 0.00 0.00 0.00 173.10 172.44 2k6y s MET 61 N -3.74 1.14 -0.09 2.90 -1.94 -1.26 -1.03 119.30 115.28 2k6y s MET 61 Ca 0.36 -1.38 -0.30 0.00 -1.71 0.00 0.00 55.69 52.66 2k6y s MET 61 Cb 0.04 -0.97 0.11 0.00 2.01 0.00 0.00 34.83 36.02 2k6y s MET 61 CO 0.19 0.17 0.94 -0.98 -0.01 0.00 0.00 175.02 175.34 2k6y s ARG 62 N -3.08 0.70 0.57 2.03 1.70 -1.15 -5.00 118.95 114.72 2k6y s ARG 62 Ca 0.14 -0.05 -0.18 0.00 -0.47 0.00 0.00 55.73 55.16 2k6y s ARG 62 Cb -0.03 0.33 -0.05 0.00 -0.57 0.00 0.00 34.95 34.63 2k6y s ARG 62 CO 0.04 -0.27 1.12 -1.25 -1.08 0.00 0.00 175.30 173.86 2k6y s PRO 63 N -2.04 3.27 0.23 3.89 0.04 -1.26 -0.66 135.00 138.46 2k6y s PRO 63 Ca 0.01 1.54 0.12 0.00 0.04 0.00 0.00 61.00 62.70 2k6y s PRO 63 Cb -0.01 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.49 2k6y s PRO 63 CO -0.03 -0.90 -0.22 0.14 0.04 0.00 0.00 177.00 176.03 2k6y s VAL 64 N -1.92 2.41 -0.41 -0.36 -7.23 -0.24 -4.84 120.40 107.80 2k6y s VAL 64 Ca 0.71 -2.20 0.26 0.00 -1.81 0.00 0.00 61.98 58.94 2k6y s VAL 64 Cb -0.22 -2.20 0.29 0.00 0.56 0.00 0.00 36.38 34.80 2k6y s VAL 64 CO 0.30 -0.24 1.77 1.55 -0.31 0.00 0.00 175.10 178.17 2k6y h PRO 65 N 2.79 0.00 0.00 4.82 0.13 -1.95 -3.43 132.00 134.36 2k6y h PRO 65 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k6y h PRO 65 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2k6y h PRO 65 CO 0.53 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.27 2k6y n PHE 66 N -2.45 0.00 -4.61 1.56 1.16 -1.26 -4.84 117.46 107.01 2k6y n PHE 66 Ca 0.03 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.33 2k6y n PHE 66 Cb 0.30 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.08 2k6y n PHE 66 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2k6y s LEU 67 N 0.00 2.33 0.18 5.98 1.43 0.34 -5.01 118.68 123.93 2k6y s LEU 67 Ca 0.00 -1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 51.42 2k6y s LEU 67 Cb 0.00 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.69 2k6y s LEU 67 CO 0.00 -0.73 0.43 -1.83 0.23 0.00 0.00 176.35 174.45 2k6y s GLU 68 N -3.80 1.28 -0.03 1.70 -1.05 -1.26 -1.13 118.70 114.41 2k6y s GLU 68 Ca 0.23 -0.95 -0.00 0.00 -0.15 0.00 0.00 54.97 54.10 2k6y s GLU 68 Cb 0.05 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.24 2k6y s GLU 68 CO 0.12 -0.52 0.02 0.08 0.95 0.00 0.00 175.26 175.91 2k6y s VAL 69 N -3.90 0.06 0.83 1.83 1.01 0.76 -4.96 120.40 116.03 2k6y s VAL 69 Ca 0.11 0.17 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2k6y s VAL 69 Cb 0.01 -0.18 0.09 0.00 0.00 0.00 0.00 36.38 36.29 2k6y s VAL 69 CO -0.03 0.13 1.09 -2.16 0.00 0.00 0.00 175.10 174.13 2k6y s PRO 70 N 1.16 1.84 0.34 2.72 0.04 -1.26 -0.84 135.00 139.00 2k6y s PRO 70 Ca -0.08 0.86 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 2k6y s PRO 70 Cb -0.13 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.42 2k6y s PRO 70 CO -0.02 -1.85 1.49 -0.35 0.04 0.00 0.00 177.00 176.31 2k6y n PRO 71 N -3.62 2.58 -0.80 0.56 -0.04 -1.26 -1.90 135.00 130.52 2k6y n PRO 71 Ca 0.07 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2k6y n PRO 71 Cb 0.55 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.38 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 1.08 -0.29 -2.58 0.54 4.76 -0.14 -4.97 118.16 116.56 2k6y n LYS 72 Ca 0.05 0.07 -0.43 0.00 -2.87 0.00 0.00 58.31 55.13 2k6y n LYS 72 Cb 0.37 -3.74 -0.02 0.00 -1.84 0.00 0.00 35.03 29.80 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 1.43 -0.19 0.72 0.00 -0.80 -4.83 107.32 101.66 2k6y s GLY 73 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 44.72 44.39 2k6y s GLY 73 CO 0.00 2.39 0.44 0.50 0.00 0.00 0.00 173.10 176.43 2k6y s ARG 74 N 4.02 4.21 -0.09 2.90 0.52 -1.26 -1.00 118.95 128.25 2k6y s ARG 74 Ca 0.49 0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 55.95 2k6y s ARG 74 Cb -0.11 -3.53 0.04 0.00 0.52 0.00 0.00 34.95 31.87 2k6y s ARG 74 CO 0.22 -0.03 0.21 0.14 0.02 0.00 0.00 175.30 175.86 2k6y s VAL 75 N 1.28 -0.04 -0.03 3.52 -7.23 0.55 -4.99 120.40 113.46 2k6y s VAL 75 Ca 0.22 0.16 -0.22 0.00 -1.81 0.00 0.00 61.98 60.33 2k6y s VAL 75 Cb -0.15 -0.33 -0.05 0.00 0.56 0.00 0.00 36.38 36.41 2k6y s VAL 75 CO 0.09 0.06 0.64 -0.70 -0.31 0.00 0.00 175.10 174.88 2k6y s GLU 76 N 1.21 4.38 -1.56 4.82 -6.30 -1.26 -1.03 118.70 118.96 2k6y s GLU 76 Ca -0.09 0.80 -0.10 0.00 -2.50 0.00 0.00 54.97 53.08 2k6y s GLU 76 Cb -0.11 -3.39 -0.08 0.00 0.00 0.00 0.00 34.13 30.55 2k6y s GLU 76 CO -0.07 0.24 2.87 1.28 0.02 0.00 0.00 175.26 179.60 2k6y n LEU 77 N 3.15 8.40 -4.57 2.70 4.32 -0.51 -4.87 117.00 125.61 2k6y n LEU 77 Ca -0.05 -4.24 -0.50 0.00 -0.02 0.00 0.00 56.01 51.21 2k6y n LEU 77 Cb 0.51 -1.52 -0.04 0.00 -1.62 0.00 0.00 43.42 40.74 2k6y n LEU 77 CO 0.45 1.92 0.72 2.29 -1.22 0.00 0.00 177.39 181.55 2k6y n LYS 78 N 3.72 1.10 0.01 3.23 2.85 -1.08 -4.26 118.16 123.73 2k6y n LYS 78 Ca 0.75 0.39 -0.10 0.00 -1.05 0.00 0.00 58.31 58.30 2k6y n LYS 78 Cb 0.23 -1.90 -0.04 0.00 -0.65 0.00 0.00 35.03 32.67 2k6y n LYS 78 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 2k6y h PRO 79 N 3.44 -0.14 -6.18 -1.58 0.13 -1.94 -1.11 132.00 124.62 2k6y h PRO 79 Ca -0.44 0.01 -0.55 0.00 -0.87 0.00 0.00 66.00 64.16 2k6y h PRO 79 Cb 1.35 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.42 2k6y h PRO 79 CO 0.70 -0.09 1.25 0.20 -0.23 0.00 0.00 178.00 179.83 2k6y s GLY 80 N -2.52 0.95 0.00 1.56 0.00 -1.26 -4.21 107.32 101.85 2k6y s GLY 80 Ca -0.14 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 42.86 2k6y s GLY 80 CO 0.67 2.77 0.00 0.61 0.00 0.00 0.00 173.10 177.16 2k6y n GLY 81 N 6.16 1.13 3.55 0.20 0.00 -1.20 -4.99 105.19 110.04 2k6y n GLY 81 Ca 0.20 -0.22 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.95 0.27 1.61 2.02 -0.43 -0.19 117.35 119.69 2k6y s TYR 82 Ca 0.00 1.93 -0.20 0.00 -0.37 0.00 0.00 57.07 58.43 2k6y s TYR 82 Cb 0.00 0.54 0.04 0.00 -0.40 0.00 0.00 41.96 42.14 2k6y s TYR 82 CO 0.00 -0.48 0.82 -3.38 -1.57 0.00 0.00 175.55 170.94 2k6y s HIS 83 N 1.52 -0.07 -0.25 2.71 -3.43 0.09 -2.62 115.29 113.24 2k6y s HIS 83 Ca -0.09 -0.42 -0.08 0.00 -0.80 0.00 0.00 55.06 53.67 2k6y s HIS 83 Cb -0.06 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.79 2k6y s HIS 83 CO -0.17 -1.22 0.09 -0.06 -2.00 0.00 0.00 174.74 171.38 2k6y s PHE 84 N -3.18 3.12 -0.21 0.38 0.08 -0.70 -0.59 117.98 116.87 2k6y s PHE 84 Ca 0.14 -0.30 -0.25 0.00 0.12 0.00 0.00 56.93 56.63 2k6y s PHE 84 Cb -0.04 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.14 2k6y s PHE 84 CO 0.07 -0.30 0.83 -1.64 -0.10 0.00 0.00 175.22 174.08 2k6y s MET 85 N 1.58 4.23 -0.16 0.44 -1.94 0.21 -1.38 119.30 122.27 2k6y s MET 85 Ca 0.06 0.97 -0.05 0.00 -1.71 0.00 0.00 55.69 54.96 2k6y s MET 85 Cb -0.15 -3.62 -0.03 0.00 2.01 0.00 0.00 34.83 33.04 2k6y s MET 85 CO 0.05 -0.44 0.02 -0.51 -0.01 0.00 0.00 175.02 174.13 2k6y s LEU 86 N 2.56 3.58 0.00 -0.03 1.43 -0.57 -0.95 118.68 124.71 2k6y s LEU 86 Ca 0.36 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.48 2k6y s LEU 86 Cb -0.16 -1.88 -0.00 0.00 0.03 0.00 0.00 46.19 44.18 2k6y s LEU 86 CO 0.09 0.20 -0.00 -0.76 0.23 0.00 0.00 176.35 176.11 2k6y s LEU 87 N 0.21 2.05 -0.44 1.79 1.43 -0.34 -1.65 118.68 121.72 2k6y s LEU 87 Ca 0.01 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 2k6y s LEU 87 Cb -0.13 0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.10 2k6y s LEU 87 CO 0.01 -0.07 0.39 0.61 0.23 0.00 0.00 176.35 177.52 2k6y n GLY 88 N 2.73 -0.01 3.70 -3.19 0.00 -0.55 -0.63 105.19 107.24 2k6y n GLY 88 Ca -0.15 0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 2k6y n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k6y s LEU 89 N -3.97 4.36 -0.05 0.99 1.43 -1.03 -0.95 118.68 119.46 2k6y s LEU 89 Ca 0.19 2.48 0.16 0.00 -1.03 0.00 0.00 54.13 55.93 2k6y s LEU 89 Cb -0.02 -3.58 0.51 0.00 0.03 0.00 0.00 46.19 43.13 2k6y s LEU 89 CO 0.32 -0.82 1.43 2.29 0.23 0.00 0.00 176.35 179.80 2k6y n LYS 90 N 4.75 3.07 -3.51 1.70 2.85 -0.82 -4.95 118.16 121.26 2k6y n LYS 90 Ca 0.14 -2.49 -0.14 0.00 -1.05 0.00 0.00 58.31 54.77 2k6y n LYS 90 Cb 0.40 -1.57 -0.05 0.00 -0.65 0.00 0.00 35.03 33.17 2k6y n LYS 90 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2k6y s ARG 91 N -1.48 1.00 0.84 -1.58 1.70 -1.26 -5.04 118.95 113.13 2k6y s ARG 91 Ca 0.38 0.02 -0.11 0.00 -0.47 0.00 0.00 55.73 55.55 2k6y s ARG 91 Cb 0.23 0.47 0.09 0.00 -0.57 0.00 0.00 34.95 35.17 2k6y s ARG 91 CO 0.20 -0.36 1.09 -1.25 -1.08 0.00 0.00 175.30 173.91 2k6y s PRO 92 N -1.93 1.74 0.16 3.89 0.04 -1.26 -5.01 135.00 132.63 2k6y s PRO 92 Ca -0.05 0.89 0.03 0.00 0.04 0.00 0.00 61.00 61.90 2k6y s PRO 92 Cb -0.00 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.63 2k6y s PRO 92 CO 0.02 -1.92 -0.03 -0.51 0.04 0.00 0.00 177.00 174.59 2k6y s LEU 93 N -6.03 2.29 -0.18 -3.56 1.02 -1.26 -5.15 118.68 105.80 2k6y s LEU 93 Ca 0.62 -1.11 0.01 0.00 0.02 0.00 0.00 54.13 53.66 2k6y s LEU 93 Cb -0.17 -0.14 0.02 0.00 0.02 0.00 0.00 46.19 45.92 2k6y s LEU 93 CO 0.56 -0.49 -0.19 -0.75 0.02 0.00 0.00 176.35 175.50 2k6y s LYS 94 N -3.86 3.02 -0.10 1.70 2.47 -1.26 -5.07 119.74 116.64 2k6y s LYS 94 Ca 0.21 -0.81 -0.33 0.00 -1.56 0.00 0.00 55.97 53.47 2k6y s LYS 94 Cb 0.05 -2.60 -0.11 0.00 -1.46 0.00 0.00 37.83 33.71 2k6y s LYS 94 CO 0.02 -0.21 1.96 0.00 0.16 0.00 0.00 175.35 177.28 2k6y n ALA 95 N 4.63 1.10 -2.58 3.13 0.00 -1.26 -0.88 120.51 124.65 2k6y n ALA 95 Ca -0.21 0.19 -0.06 0.00 0.00 0.00 0.00 53.44 53.36 2k6y n ALA 95 Cb 0.50 -2.58 0.03 0.00 0.00 0.00 0.00 19.45 17.41 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 4.74 0.21 0.00 0.00 0.00 -0.32 -5.02 105.19 104.79 2k6y n GLY 96 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2k6y n GLY 96 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k6y n GLU 97 N -2.10 2.00 -4.26 1.61 0.28 -0.05 -5.00 120.64 113.11 2k6y n GLU 97 Ca -0.08 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.74 2k6y n GLU 97 Cb 0.55 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 33.31 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2k6y s GLU 98 N -1.39 1.08 -0.12 3.44 -1.05 -1.26 -0.63 118.70 118.77 2k6y s GLU 98 Ca 0.00 -1.30 -0.01 0.00 -0.15 0.00 0.00 54.97 53.51 2k6y s GLU 98 Cb 0.00 -0.95 0.03 0.00 -0.44 0.00 0.00 34.13 32.78 2k6y s GLU 98 CO 0.00 0.18 -0.05 0.08 0.95 0.00 0.00 175.26 176.42 2k6y s VAL 99 N -2.29 0.87 0.23 1.83 1.01 0.32 -4.88 120.40 117.49 2k6y s VAL 99 Ca 0.11 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.52 2k6y s VAL 99 Cb -0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.28 2k6y s VAL 99 CO 0.03 0.26 1.02 -1.61 0.00 0.00 0.00 175.10 174.81 2k6y s GLU 100 N 1.76 4.73 -0.15 2.72 0.41 -1.26 -1.24 118.70 125.67 2k6y s GLU 100 Ca 0.04 1.63 -0.21 0.00 -0.41 0.00 0.00 54.97 56.02 2k6y s GLU 100 Cb -0.13 -3.26 0.05 0.00 -1.78 0.00 0.00 34.13 29.01 2k6y s GLU 100 CO -0.07 0.32 0.54 -1.17 -0.49 0.00 0.00 175.26 174.39 2k6y s LEU 101 N -1.04 -0.07 -0.44 1.80 0.20 0.02 -4.14 118.68 115.01 2k6y s LEU 101 Ca 0.44 0.90 -0.22 0.00 0.69 0.00 0.00 54.13 55.94 2k6y s LEU 101 Cb -0.28 1.91 0.02 0.00 -0.43 0.00 0.00 46.19 47.41 2k6y s LEU 101 CO 0.35 -0.30 0.72 -1.81 -0.29 0.00 0.00 176.35 175.03 2k6y s ASP 102 N -0.18 6.38 -0.39 3.68 1.01 0.69 -0.17 116.67 127.69 2k6y s ASP 102 Ca -0.04 -0.18 -0.25 0.00 0.71 0.00 0.00 52.55 52.80 2k6y s ASP 102 Cb -0.03 -2.36 0.02 0.00 1.01 0.00 0.00 42.92 41.56 2k6y s ASP 102 CO 0.03 -0.84 0.88 -0.76 0.21 0.00 0.00 175.17 174.68 2k6y s LEU 103 N 3.08 4.05 -0.22 1.23 1.43 -0.09 -1.31 118.68 126.84 2k6y s LEU 103 Ca 0.27 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.57 2k6y s LEU 103 Cb -0.13 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.89 2k6y s LEU 103 CO 0.21 -0.87 0.44 -0.76 0.23 0.00 0.00 176.35 175.59 2k6y s LEU 104 N 3.43 4.12 -0.03 1.79 1.43 -0.28 -1.52 118.68 127.63 2k6y s LEU 104 Ca 0.36 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 54.03 2k6y s LEU 104 Cb -0.12 -2.57 -0.01 0.00 0.03 0.00 0.00 46.19 43.52 2k6y s LEU 104 CO 0.20 -0.15 -0.20 -0.36 0.23 0.00 0.00 176.35 176.08 2k6y s PHE 105 N 1.65 1.84 0.14 0.29 0.08 -0.17 -0.15 117.98 121.67 2k6y s PHE 105 Ca 0.20 -0.44 -0.35 0.00 0.12 0.00 0.00 56.93 56.46 2k6y s PHE 105 Cb -0.15 -1.21 -0.15 0.00 -0.57 0.00 0.00 43.02 40.94 2k6y s PHE 105 CO 0.09 -0.10 1.43 0.00 -0.10 0.00 0.00 175.22 176.54 2k6y n ALA 106 N 2.84 0.27 0.00 5.36 0.00 0.01 -3.14 120.51 125.85 2k6y n ALA 106 Ca -0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k6y n ALA 106 Cb 0.53 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.77 2k6y n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6y n GLY 107 N 2.82 -0.23 1.68 0.00 0.00 -1.26 -4.54 105.19 103.65 2k6y n GLY 107 Ca 0.17 -1.49 -0.11 0.00 0.00 0.00 0.00 46.02 44.59 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 0.00 3.32 3.80 -0.02 0.00 -1.26 -4.95 105.19 106.07 2k6y n GLY 108 Ca 0.00 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.04 3.76 -0.11 1.61 3.01 -1.19 -5.06 119.74 119.73 2k6y s LYS 109 Ca 0.35 -0.19 -0.09 0.00 -1.01 0.00 0.00 55.97 55.03 2k6y s LYS 109 Cb 0.29 -3.27 0.03 0.00 -1.01 0.00 0.00 37.83 33.86 2k6y s LYS 109 CO 0.07 0.56 0.28 0.54 0.51 0.00 0.00 175.35 177.31 2k6y s VAL 110 N -0.38 -0.01 -0.33 3.17 0.11 -1.26 -0.99 120.40 120.70 2k6y s VAL 110 Ca 0.11 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 2k6y s VAL 110 Cb -0.12 -0.41 0.08 0.00 -1.53 0.00 0.00 36.38 34.41 2k6y s VAL 110 CO 0.01 0.01 0.05 -0.76 -3.33 0.00 0.00 175.10 171.08 2k6y s LEU 111 N 0.36 4.40 -0.37 2.54 1.43 -0.57 -4.93 118.68 121.54 2k6y s LEU 111 Ca -0.02 -1.71 -0.29 0.00 -1.03 0.00 0.00 54.13 51.08 2k6y s LEU 111 Cb -0.03 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.51 2k6y s LEU 111 CO -0.01 -0.35 1.14 -0.75 0.23 0.00 0.00 176.35 176.60 2k6y s LYS 112 N 1.11 3.92 0.03 1.70 2.36 -1.26 -0.91 119.74 126.70 2k6y s LYS 112 Ca 0.02 0.94 0.01 0.00 -2.55 0.00 0.00 55.97 54.38 2k6y s LYS 112 Cb -0.20 -3.82 -0.02 0.00 -1.05 0.00 0.00 37.83 32.73 2k6y s LYS 112 CO -0.04 -1.11 -0.05 0.14 1.55 0.00 0.00 175.35 175.84 2k6y s VAL 113 N 4.07 0.32 0.14 4.02 -7.23 0.76 -4.91 120.40 117.57 2k6y s VAL 113 Ca 0.48 -1.03 -0.19 0.00 -1.81 0.00 0.00 61.98 59.43 2k6y s VAL 113 Cb -0.11 -0.48 -0.07 0.00 0.56 0.00 0.00 36.38 36.27 2k6y s VAL 113 CO 0.22 -0.47 0.64 0.54 -0.31 0.00 0.00 175.10 175.72 2k6y s VAL 114 N -1.53 4.66 -0.01 1.32 0.11 -1.26 -0.80 120.40 122.90 2k6y s VAL 114 Ca -0.12 1.23 -0.04 0.00 -2.93 0.00 0.00 61.98 60.12 2k6y s VAL 114 Cb -0.09 -3.89 -0.00 0.00 -1.53 0.00 0.00 36.38 30.86 2k6y s VAL 114 CO -0.01 0.40 0.07 -0.76 -3.33 0.00 0.00 175.10 171.47 2k6y s LEU 115 N -1.51 1.79 0.60 2.54 1.02 -0.37 -4.96 118.68 117.79 2k6y s LEU 115 Ca 0.35 -0.14 -0.17 0.00 0.02 0.00 0.00 54.13 54.19 2k6y s LEU 115 Cb -0.18 0.37 -0.03 0.00 0.02 0.00 0.00 46.19 46.36 2k6y s LEU 115 CO 0.21 -0.22 1.12 -2.16 0.02 0.00 0.00 176.35 175.32 2k6y s PRO 116 N -0.85 3.08 -0.18 1.29 0.04 -1.26 -0.52 135.00 136.61 2k6y s PRO 116 Ca -0.09 1.50 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 2k6y s PRO 116 Cb -0.06 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2k6y s PRO 116 CO 0.00 -1.05 0.41 0.08 0.04 0.00 0.00 177.00 176.49 2k6y s VAL 117 N -2.06 5.21 0.43 -0.36 1.01 0.19 -1.09 120.40 123.73 2k6y s VAL 117 Ca 0.70 0.76 0.03 0.00 0.00 0.00 0.00 61.98 63.47 2k6y s VAL 117 Cb -0.22 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.44 2k6y s VAL 117 CO 0.34 0.28 0.24 -0.62 0.00 0.00 0.00 175.10 175.34 2k6y n GLU 118 N 4.17 0.89 -3.61 2.72 1.02 -0.58 -1.18 120.64 124.08 2k6y n GLU 118 Ca -0.08 -2.79 -0.14 0.00 -0.02 0.00 0.00 57.16 54.13 2k6y n GLU 118 Cb 0.51 0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 32.30 2k6y n GLU 118 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k6y s ALA 119 N -2.65 -1.23 0.00 0.62 0.00 -1.26 -0.29 121.76 116.96 2k6y s ALA 119 Ca 0.18 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.68 2k6y s ALA 119 Cb -0.01 0.33 0.00 0.00 0.00 0.00 0.00 23.12 23.44 2k6y s ALA 119 CO 0.11 -0.47 0.00 -2.13 0.00 0.00 0.00 175.76 173.27