#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 6.24 0.11 1.61 0.01 -1.26 -5.02 113.70 115.39 2k6y s SER 2 Ca 0.00 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.47 2k6y s SER 2 Cb 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 66.02 63.86 2k6y s SER 2 CO 0.00 -0.75 0.00 0.49 0.41 0.00 0.00 173.24 173.39 2k6y n PHE 3 N -2.54 -0.71 0.00 2.43 3.72 -1.26 -5.07 117.46 114.03 2k6y n PHE 3 Ca 0.04 0.39 0.00 0.00 -0.05 0.00 0.00 57.45 57.83 2k6y n PHE 3 Cb 0.54 -0.79 0.00 0.00 -0.94 0.00 0.00 39.48 38.29 2k6y n PHE 3 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2k6y n THR 4 N -2.12 0.00 -3.54 4.37 -2.24 -1.26 -5.12 114.28 104.37 2k6y n THR 4 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2k6y n THR 4 Cb 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 2k6y n THR 4 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2k6y n GLU 5 N 0.00 2.22 -4.03 -0.78 2.13 -1.26 -4.74 120.64 114.19 2k6y n GLU 5 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 2k6y n GLU 5 Cb 0.00 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.64 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 -0.54 0.70 -0.17 8.31 0.00 -1.26 -0.97 107.32 113.38 2k6y s GLY 6 Ca 0.00 -1.07 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 2k6y s GLY 6 CO 0.00 -0.91 0.41 0.66 0.00 0.00 0.00 173.10 173.26 2k6y s TRP 7 N -4.02 -0.63 -0.38 1.90 -2.14 -0.45 -4.28 118.94 108.93 2k6y s TRP 7 Ca 0.23 1.32 -0.14 0.00 2.66 0.00 0.00 56.10 60.17 2k6y s TRP 7 Cb 0.03 0.26 0.00 0.00 -3.10 0.00 0.00 33.47 30.67 2k6y s TRP 7 CO 0.05 -0.37 0.28 0.08 -2.66 0.00 0.00 176.95 174.33 2k6y s VAL 8 N 1.63 5.27 -0.99 -0.66 1.01 -0.12 -2.75 120.40 123.79 2k6y s VAL 8 Ca -0.08 -0.48 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 2k6y s VAL 8 Cb -0.09 -3.84 0.09 0.00 0.00 0.00 0.00 36.38 32.53 2k6y s VAL 8 CO -0.13 -0.19 1.32 -0.60 0.00 0.00 0.00 175.10 175.51 2k6y s ARG 9 N 1.70 3.61 0.58 2.72 3.00 0.42 -0.84 118.95 130.13 2k6y s ARG 9 Ca 0.05 -1.42 -0.21 0.00 -1.00 0.00 0.00 55.73 53.16 2k6y s ARG 9 Cb -0.18 -5.18 -0.04 0.00 0.00 0.00 0.00 34.95 29.55 2k6y s ARG 9 CO 0.10 -2.03 1.34 0.12 0.00 0.00 0.00 175.30 174.84 2k6y s PHE 10 N 3.98 2.20 0.09 5.12 5.36 0.54 -1.45 117.98 133.82 2k6y s PHE 10 Ca 0.41 1.40 -0.24 0.00 -0.96 0.00 0.00 56.93 57.53 2k6y s PHE 10 Cb -0.02 -3.78 0.07 0.00 -0.34 0.00 0.00 43.02 38.95 2k6y s PHE 10 CO -0.09 -2.95 0.59 -1.12 -1.46 0.00 0.00 175.22 170.19 2k6y s SER 11 N -1.08 -0.55 0.00 6.13 0.01 -1.26 -4.03 113.70 112.91 2k6y s SER 11 Ca 0.75 0.18 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2k6y s SER 11 Cb -0.40 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2k6y s SER 11 CO 0.46 -0.84 0.78 -0.81 0.41 0.00 0.00 173.24 173.24 2k6y n PRO 12 N 0.06 0.90 0.00 12.44 -0.04 -1.26 -4.79 135.00 142.31 2k6y n PRO 12 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2k6y n PRO 12 Cb 0.62 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 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 0.31 0.48 0.00 0.55 0.00 -1.26 -4.92 105.19 100.35 2k6y n GLY 13 Ca 0.00 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.20 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 0.75 0.37 -4.11 1.61 -0.04 -1.26 -4.93 135.00 127.39 2k6y n PRO 14 Ca 0.00 0.08 -0.13 0.00 -0.04 0.00 0.00 63.50 63.40 2k6y n PRO 14 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 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 -2.37 0.63 0.27 3.54 2.20 -1.26 -4.07 114.94 113.87 2k6y s ASN 15 Ca 0.21 -1.37 -0.01 0.00 -0.94 0.00 0.00 52.86 50.75 2k6y s ASN 15 Cb 0.12 0.59 0.00 0.00 -2.00 0.00 0.00 41.25 39.96 2k6y s ASN 15 CO 0.25 -1.16 0.37 0.00 -2.94 0.00 0.00 177.10 173.62 2k6y n ALA 16 N -0.48 -0.22 -2.46 3.54 0.00 -0.05 -4.57 120.51 116.27 2k6y n ALA 16 Ca 0.01 -1.26 -0.15 0.00 0.00 0.00 0.00 53.44 52.04 2k6y n ALA 16 Cb 0.62 1.01 -0.08 0.00 0.00 0.00 0.00 19.45 21.01 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 -2.53 1.23 0.01 0.00 0.00 -0.53 -0.63 121.76 119.31 2k6y s ALA 17 Ca 0.23 -1.74 -0.22 0.00 0.00 0.00 0.00 51.96 50.23 2k6y s ALA 17 Cb -0.01 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.51 2k6y s ALA 17 CO 0.16 -0.68 0.50 0.00 0.00 0.00 0.00 175.76 175.74 2k6y s ALA 18 N -3.64 -1.29 0.12 0.00 0.00 -0.58 -0.43 121.76 115.93 2k6y s ALA 18 Ca 0.36 0.68 -0.08 0.00 0.00 0.00 0.00 51.96 52.93 2k6y s ALA 18 Cb 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2k6y s ALA 18 CO 0.19 -0.42 0.20 0.71 0.00 0.00 0.00 175.76 176.44 2k6y s TYR 19 N -1.94 0.33 -0.23 0.00 1.51 -1.11 -1.35 117.35 114.56 2k6y s TYR 19 Ca -0.08 -0.73 -0.30 0.00 -1.01 0.00 0.00 57.07 54.95 2k6y s TYR 19 Cb -0.01 -0.11 0.16 0.00 -0.11 0.00 0.00 41.96 41.88 2k6y s TYR 19 CO 0.02 -0.60 1.19 -0.48 -1.11 0.00 0.00 175.55 174.57 2k6y s LEU 20 N -2.92 -0.19 0.23 -1.29 0.05 -1.25 -1.35 118.68 111.95 2k6y s LEU 20 Ca 0.11 0.21 -0.30 0.00 0.05 0.00 0.00 54.13 54.20 2k6y s LEU 20 Cb 0.05 1.45 -0.09 0.00 -2.05 0.00 0.00 46.19 45.55 2k6y s LEU 20 CO -0.06 -0.18 1.33 -0.89 -0.55 0.00 0.00 176.35 176.00 2k6y s THR 21 N -1.08 3.05 -0.02 5.48 2.01 -0.15 -0.45 115.64 124.47 2k6y s THR 21 Ca 0.04 0.89 0.01 0.00 0.31 0.00 0.00 61.69 62.94 2k6y s THR 21 Cb -0.01 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.95 2k6y s THR 21 CO -0.03 0.14 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.79 2k6y s LEU 22 N -0.37 1.55 -0.13 4.42 1.98 -1.09 -4.87 118.68 120.16 2k6y s LEU 22 Ca 0.56 -0.08 -0.11 0.00 -2.89 0.00 0.00 54.13 51.61 2k6y s LEU 22 Cb -0.38 -0.30 0.04 0.00 0.66 0.00 0.00 46.19 46.21 2k6y s LEU 22 CO 0.41 -0.02 0.34 -1.83 -1.89 0.00 0.00 176.35 173.36 2k6y s GLU 23 N 0.54 0.39 -0.53 1.98 -1.05 -1.26 -0.83 118.70 117.94 2k6y s GLU 23 Ca -0.06 0.52 -0.16 0.00 -0.15 0.00 0.00 54.97 55.12 2k6y s GLU 23 Cb -0.09 0.15 0.12 0.00 -0.44 0.00 0.00 34.13 33.86 2k6y s GLU 23 CO -0.01 -0.07 0.48 1.21 0.95 0.00 0.00 175.26 177.83 2k6y s ASN 24 N 0.40 6.17 0.00 0.83 2.47 0.02 -4.94 114.94 119.89 2k6y s ASN 24 Ca -0.02 -1.73 0.26 0.00 0.42 0.00 0.00 52.86 51.79 2k6y s ASN 24 Cb -0.04 -2.20 1.16 0.00 -1.45 0.00 0.00 41.25 38.73 2k6y s ASN 24 CO -0.02 -0.83 1.85 -0.81 -3.72 0.00 0.00 177.10 173.57 2k6y n PRO 25 N 5.23 0.10 -1.97 0.43 -0.04 -1.26 -1.26 135.00 136.23 2k6y n PRO 25 Ca -0.14 0.05 -0.30 0.00 -0.04 0.00 0.00 63.50 63.07 2k6y n PRO 25 Cb 0.41 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.38 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 -2.89 1.63 0.00 0.55 0.00 -1.26 -4.58 107.32 100.78 2k6y s GLY 26 Ca 0.16 -0.21 0.20 0.00 0.00 0.00 0.00 44.72 44.87 2k6y s GLY 26 CO 0.45 0.07 1.45 1.22 0.00 0.00 0.00 173.10 176.30 2k6y n ASP 27 N -2.75 2.51 -4.54 1.64 9.92 -1.26 -1.96 116.55 120.12 2k6y n ASP 27 Ca 0.06 -1.87 -0.24 0.00 -0.53 0.00 0.00 54.79 52.20 2k6y n ASP 27 Cb 0.55 -0.20 -0.09 0.00 -0.64 0.00 0.00 41.12 40.74 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 -1.42 2.83 0.61 0.64 0.05 -1.26 -4.82 118.68 115.31 2k6y s LEU 28 Ca 0.35 -0.84 -0.12 0.00 0.05 0.00 0.00 54.13 53.57 2k6y s LEU 28 Cb 0.19 -1.37 -0.04 0.00 -2.05 0.00 0.00 46.19 42.92 2k6y s LEU 28 CO 0.27 0.04 1.03 -2.16 -0.55 0.00 0.00 176.35 174.98 2k6y s PRO 29 N -3.44 3.57 0.20 1.48 0.04 -1.26 -4.06 135.00 131.53 2k6y s PRO 29 Ca 0.29 0.80 0.08 0.00 0.04 0.00 0.00 61.00 62.22 2k6y s PRO 29 Cb -0.06 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2k6y s PRO 29 CO 0.16 -0.59 0.01 -0.51 0.04 0.00 0.00 177.00 176.12 2k6y s LEU 30 N -5.07 3.32 -0.23 -3.56 1.43 -0.07 -4.92 118.68 109.59 2k6y s LEU 30 Ca 0.56 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 53.18 2k6y s LEU 30 Cb -0.11 -1.94 0.10 0.00 0.03 0.00 0.00 46.19 44.27 2k6y s LEU 30 CO 0.51 0.06 0.21 -0.60 0.23 0.00 0.00 176.35 176.75 2k6y s ARG 31 N -3.19 0.20 -0.23 1.70 3.52 -1.26 -0.59 118.95 119.10 2k6y s ARG 31 Ca 0.29 -0.01 -0.18 0.00 -0.13 0.00 0.00 55.73 55.69 2k6y s ARG 31 Cb -0.08 -1.18 -0.03 0.00 -1.56 0.00 0.00 34.95 32.10 2k6y s ARG 31 CO 0.19 -0.78 0.53 -1.17 -0.81 0.00 0.00 175.30 173.26 2k6y s LEU 32 N 2.28 4.11 -0.01 -0.88 2.96 0.43 -1.06 118.68 126.50 2k6y s LEU 32 Ca 0.07 0.63 0.14 0.00 -0.22 0.00 0.00 54.13 54.75 2k6y s LEU 32 Cb -0.15 -2.71 -0.19 0.00 0.50 0.00 0.00 46.19 43.64 2k6y s LEU 32 CO -0.19 -0.24 0.41 1.33 -1.32 0.00 0.00 176.35 176.34 2k6y n VAL 33 N 4.81 0.00 -3.29 1.68 0.24 0.81 -0.98 118.33 121.61 2k6y n VAL 33 Ca -0.04 -0.27 0.00 0.00 -2.04 0.00 0.00 64.34 61.99 2k6y n VAL 33 Cb 0.50 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 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 1.56 -0.60 3.56 7.63 0.00 -1.17 -4.72 105.19 111.45 2k6y n GLY 34 Ca -0.01 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 45.12 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 0.44 -0.08 4.61 0.00 -1.26 -0.83 121.76 123.63 2k6y s ALA 35 Ca 0.00 -1.35 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 2k6y s ALA 35 Cb 0.00 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.19 2k6y s ALA 35 CO 0.00 -0.84 0.25 1.03 0.00 0.00 0.00 175.76 176.20 2k6y s ARG 36 N -2.88 0.33 0.07 0.00 1.81 -0.48 -4.87 118.95 112.93 2k6y s ARG 36 Ca 0.27 0.27 -0.12 0.00 -1.72 0.00 0.00 55.73 54.43 2k6y s ARG 36 Cb -0.01 0.16 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2k6y s ARG 36 CO 0.18 -0.05 0.27 -0.08 -0.68 0.00 0.00 175.30 174.95 2k6y s THR 37 N -0.05 0.10 -0.04 0.02 -1.32 -1.26 -0.52 115.64 112.57 2k6y s THR 37 Ca -0.02 -0.84 0.17 0.00 -1.21 0.00 0.00 61.69 59.79 2k6y s THR 37 Cb -0.02 -1.09 0.10 0.00 -1.51 0.00 0.00 72.50 69.98 2k6y s THR 37 CO 0.01 -0.47 1.56 1.55 -2.21 0.00 0.00 174.62 175.06 2k6y h PRO 38 N 2.97 0.00 -0.41 7.08 0.13 -1.99 -3.36 132.00 136.41 2k6y h PRO 38 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2k6y h PRO 38 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k6y h PRO 38 CO 0.50 0.44 0.00 1.33 -0.23 0.00 0.00 178.00 180.04 2k6y n VAL 39 N -3.32 0.53 -3.82 1.56 0.24 -1.26 -4.31 118.33 107.96 2k6y n VAL 39 Ca 0.01 -0.41 -0.12 0.00 -2.04 0.00 0.00 64.34 61.78 2k6y n VAL 39 Cb 0.65 0.04 -0.10 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.64 -0.49 0.00 2.33 0.00 -1.26 -4.63 121.76 116.07 2k6y s ALA 40 Ca 0.19 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2k6y s ALA 40 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2k6y s ALA 40 CO 0.11 -0.18 0.04 -1.91 0.00 0.00 0.00 175.76 173.82 2k6y n GLU 41 N 2.02 0.00 -2.78 0.00 0.00 -0.62 -4.30 120.64 114.96 2k6y n GLU 41 Ca -0.19 0.26 -0.38 0.00 0.00 0.00 0.00 57.16 56.86 2k6y n GLU 41 Cb 0.57 -0.79 -0.06 0.00 0.00 0.00 0.00 31.44 31.16 2k6y n GLU 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2k6y s ARG 42 N -0.60 4.71 -0.14 5.31 3.52 -0.72 -4.95 118.95 126.09 2k6y s ARG 42 Ca 0.00 1.40 -0.08 0.00 -0.13 0.00 0.00 55.73 56.92 2k6y s ARG 42 Cb 0.00 -3.04 0.05 0.00 -1.56 0.00 0.00 34.95 30.40 2k6y s ARG 42 CO 0.00 0.40 0.33 0.54 -0.81 0.00 0.00 175.30 175.77 2k6y s VAL 43 N -1.40 -0.03 -0.10 7.11 0.11 -1.26 -0.74 120.40 124.10 2k6y s VAL 43 Ca 0.45 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.54 2k6y s VAL 43 Cb -0.22 -0.50 0.04 0.00 -1.53 0.00 0.00 36.38 34.17 2k6y s VAL 43 CO 0.28 0.04 0.25 -1.61 -3.33 0.00 0.00 175.10 170.72 2k6y s GLU 44 N 1.17 0.24 -0.15 1.54 2.02 -0.70 -4.81 118.70 118.00 2k6y s GLU 44 Ca -0.08 0.46 -0.28 0.00 0.02 0.00 0.00 54.97 55.09 2k6y s GLU 44 Cb -0.08 -0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.12 2k6y s GLU 44 CO -0.09 -0.11 0.95 -1.17 0.02 0.00 0.00 175.26 174.85 2k6y s LEU 45 N 0.83 4.19 0.15 1.80 0.20 -1.26 -0.70 118.68 123.90 2k6y s LEU 45 Ca -0.06 1.37 0.10 0.00 0.69 0.00 0.00 54.13 56.23 2k6y s LEU 45 Cb -0.07 -3.43 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 2k6y s LEU 45 CO -0.05 -0.47 -0.19 -1.00 -0.29 0.00 0.00 176.35 174.35 2k6y s HIS 46 N 2.27 2.47 0.41 5.38 3.76 0.30 -1.16 115.29 128.71 2k6y s HIS 46 Ca 0.44 -0.29 -0.02 0.00 -0.15 0.00 0.00 55.06 55.04 2k6y s HIS 46 Cb -0.17 -1.27 -0.03 0.00 1.11 0.00 0.00 32.58 32.22 2k6y s HIS 46 CO 0.14 0.44 0.65 -1.83 -0.85 0.00 0.00 174.74 173.28 2k6y s GLU 47 N -2.41 3.49 0.00 1.40 -1.05 0.21 -1.58 118.70 118.75 2k6y s GLU 47 Ca 0.20 -0.13 0.03 0.00 -0.15 0.00 0.00 54.97 54.92 2k6y s GLU 47 Cb -0.09 -2.54 -0.03 0.00 -0.44 0.00 0.00 34.13 31.02 2k6y s GLU 47 CO 0.11 -0.01 -0.06 0.99 0.95 0.00 0.00 175.26 177.24 2k6y s THR 48 N -2.50 3.71 0.15 1.83 2.01 0.26 -2.43 115.64 118.67 2k6y s THR 48 Ca 0.43 -0.74 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 2k6y s THR 48 Cb -0.10 -2.62 0.02 0.00 0.01 0.00 0.00 72.50 69.82 2k6y s THR 48 CO 0.40 0.40 0.39 0.72 -0.69 0.00 0.00 174.62 175.83 2k6y s PHE 49 N -1.00 -0.01 0.05 4.92 -0.12 -0.25 -4.62 117.98 116.94 2k6y s PHE 49 Ca 0.17 -0.33 0.09 0.00 -0.05 0.00 0.00 56.93 56.81 2k6y s PHE 49 Cb -0.11 0.19 -0.03 0.00 -0.63 0.00 0.00 43.02 42.45 2k6y s PHE 49 CO 0.08 -0.75 -0.25 0.00 -0.05 0.00 0.00 175.22 174.25 2k6y s MET 50 N -3.86 1.69 -0.08 1.99 0.23 -1.26 -1.05 119.30 116.95 2k6y s MET 50 Ca 0.08 -1.08 -0.10 0.00 -1.03 0.00 0.00 55.69 53.56 2k6y s MET 50 Cb 0.02 -1.87 0.02 0.00 -1.53 0.00 0.00 34.83 31.48 2k6y s MET 50 CO -0.07 0.48 0.27 1.03 -2.03 0.00 0.00 175.02 174.70 2k6y s ARG 51 N -1.25 0.39 0.59 3.16 3.00 -0.61 -4.99 118.95 119.24 2k6y s ARG 51 Ca 0.11 0.24 -0.19 0.00 0.00 0.00 0.00 55.73 55.88 2k6y s ARG 51 Cb -0.10 0.18 -0.03 0.00 0.00 0.00 0.00 34.95 35.00 2k6y s ARG 51 CO 0.02 -0.07 1.26 -1.21 0.00 0.00 0.00 175.30 175.30 2k6y s GLU 52 N -0.20 2.93 0.00 3.54 8.01 -1.26 -0.51 118.70 131.21 2k6y s GLU 52 Ca -0.03 1.97 0.00 0.00 0.01 0.00 0.00 54.97 56.92 2k6y s GLU 52 Cb -0.03 -2.00 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 2k6y s GLU 52 CO 0.01 -1.28 0.00 1.55 0.01 0.00 0.00 175.26 175.55 2k6y n VAL 53 N -1.50 0.00 -2.20 2.63 3.14 0.12 -4.82 118.33 115.71 2k6y n VAL 53 Ca 0.13 0.00 -0.03 0.00 -2.96 0.00 0.00 64.34 61.48 2k6y n VAL 53 Cb 0.48 0.57 -0.03 0.00 -1.06 0.00 0.00 33.84 33.80 2k6y n VAL 53 CO 0.00 0.00 0.00 -1.84 -6.46 0.00 0.00 176.83 168.53 2k6y n GLU 54 N 0.00 0.08 0.00 1.45 0.28 -1.26 -4.95 120.64 116.24 2k6y n GLU 54 Ca 0.00 -1.38 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 2k6y n GLU 54 Cb 0.00 0.30 0.00 0.00 1.43 0.00 0.00 31.44 33.17 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2k6y n GLY 55 N 0.09 2.15 3.92 -1.84 0.00 -1.26 -4.96 105.19 103.29 2k6y n GLY 55 Ca -0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 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 2.76 0.08 1.61 3.01 -1.26 -5.02 119.74 120.92 2k6y s LYS 56 Ca 0.00 -1.31 0.06 0.00 -1.01 0.00 0.00 55.97 53.71 2k6y s LYS 56 Cb 0.00 -2.57 -0.04 0.00 -1.01 0.00 0.00 37.83 34.21 2k6y s LYS 56 CO 0.00 -0.08 -0.09 -1.59 0.51 0.00 0.00 175.35 174.09 2k6y s LYS 57 N -4.15 2.22 -0.03 1.68 -2.85 -1.26 -0.70 119.74 114.65 2k6y s LYS 57 Ca 0.47 -0.96 -0.09 0.00 -1.00 0.00 0.00 55.97 54.39 2k6y s LYS 57 Cb -0.07 -2.34 -0.05 0.00 -2.06 0.00 0.00 37.83 33.31 2k6y s LYS 57 CO 0.29 0.53 0.28 0.08 0.10 0.00 0.00 175.35 176.63 2k6y s VAL 58 N -1.17 5.27 -0.03 1.79 1.01 0.33 -4.90 120.40 122.70 2k6y s VAL 58 Ca 0.21 0.39 -0.15 0.00 0.00 0.00 0.00 61.98 62.43 2k6y s VAL 58 Cb -0.11 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2k6y s VAL 58 CO 0.12 0.50 0.41 -0.32 0.00 0.00 0.00 175.10 175.81 2k6y s MET 59 N -1.36 4.01 0.30 2.72 1.75 -1.26 -1.58 119.30 123.89 2k6y s MET 59 Ca 0.23 0.40 -0.08 0.00 -1.25 0.00 0.00 55.69 54.99 2k6y s MET 59 Cb -0.14 -3.27 0.03 0.00 2.84 0.00 0.00 34.83 34.29 2k6y s MET 59 CO 0.12 0.57 0.53 0.41 -0.65 0.00 0.00 175.02 176.00 2k6y n GLY 60 N 2.17 1.64 3.08 2.11 0.00 -0.22 -5.00 105.19 108.98 2k6y n GLY 60 Ca -0.13 -1.35 -0.08 0.00 0.00 0.00 0.00 46.02 44.46 2k6y n GLY 60 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2k6y s MET 61 N -2.30 0.56 -0.02 1.61 -1.94 -1.26 -1.09 119.30 114.86 2k6y s MET 61 Ca 0.17 -0.96 -0.28 0.00 -1.71 0.00 0.00 55.69 52.91 2k6y s MET 61 Cb -0.03 0.20 0.10 0.00 2.01 0.00 0.00 34.83 37.11 2k6y s MET 61 CO 0.12 -0.12 0.82 -0.98 -0.01 0.00 0.00 175.02 174.86 2k6y s ARG 62 N -3.08 0.90 0.58 2.03 1.70 -1.02 -5.00 118.95 115.06 2k6y s ARG 62 Ca -0.01 -0.14 -0.19 0.00 -0.47 0.00 0.00 55.73 54.93 2k6y s ARG 62 Cb 0.02 0.42 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2k6y s ARG 62 CO -0.07 -0.35 1.18 -1.25 -1.08 0.00 0.00 175.30 173.72 2k6y s PRO 63 N -2.46 3.06 0.25 3.89 0.04 -1.26 -0.62 135.00 137.90 2k6y s PRO 63 Ca -0.00 1.73 0.10 0.00 0.04 0.00 0.00 61.00 62.87 2k6y s PRO 63 Cb -0.01 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.54 2k6y s PRO 63 CO -0.04 -1.11 -0.10 0.14 0.04 0.00 0.00 177.00 175.93 2k6y s VAL 64 N -1.71 3.02 0.33 -0.36 -7.23 -0.31 -4.77 120.40 109.38 2k6y s VAL 64 Ca 0.75 -2.04 0.13 0.00 -1.81 0.00 0.00 61.98 59.01 2k6y s VAL 64 Cb -0.28 -2.58 0.07 0.00 0.56 0.00 0.00 36.38 34.16 2k6y s VAL 64 CO 0.32 -0.32 1.77 1.55 -0.31 0.00 0.00 175.10 178.11 2k6y h PRO 65 N 2.27 0.00 0.00 4.82 0.13 -1.95 -3.45 132.00 133.82 2k6y h PRO 65 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2k6y h PRO 65 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k6y h PRO 65 CO 0.58 0.43 0.00 1.97 -0.23 0.00 0.00 178.00 180.75 2k6y n PHE 66 N -3.96 0.00 -4.20 1.56 1.16 -1.26 -4.81 117.46 105.95 2k6y n PHE 66 Ca -0.02 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.33 2k6y n PHE 66 Cb 0.46 0.00 -0.07 0.00 -1.61 0.00 0.00 39.48 38.27 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 3.25 0.06 5.98 1.02 -0.15 -5.00 118.68 123.84 2k6y s LEU 67 Ca 0.00 -0.70 -0.07 0.00 0.02 0.00 0.00 54.13 53.38 2k6y s LEU 67 Cb 0.00 -1.74 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 2k6y s LEU 67 CO 0.00 -0.15 0.14 -1.83 0.02 0.00 0.00 176.35 174.53 2k6y s GLU 68 N -3.76 0.72 -0.09 1.70 -1.05 -1.26 -0.43 118.70 114.53 2k6y s GLU 68 Ca 0.34 -0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 54.24 2k6y s GLU 68 Cb -0.04 0.29 0.04 0.00 -0.44 0.00 0.00 34.13 33.97 2k6y s GLU 68 CO 0.21 -0.20 0.22 0.08 0.95 0.00 0.00 175.26 176.52 2k6y s VAL 69 N -3.29 -0.03 1.04 1.83 1.01 0.24 -4.99 120.40 116.21 2k6y s VAL 69 Ca 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 2k6y s VAL 69 Cb 0.03 -0.33 0.21 0.00 0.00 0.00 0.00 36.38 36.28 2k6y s VAL 69 CO -0.08 0.04 1.10 -2.16 0.00 0.00 0.00 175.10 174.00 2k6y s PRO 70 N 0.82 0.08 0.49 2.72 0.04 -1.26 -0.90 135.00 136.99 2k6y s PRO 70 Ca -0.06 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.13 2k6y s PRO 70 Cb -0.07 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.69 2k6y s PRO 70 CO -0.05 -2.94 1.41 -0.35 0.04 0.00 0.00 177.00 175.11 2k6y n PRO 71 N -4.30 2.05 -0.83 0.56 -0.04 -1.26 -2.88 135.00 128.31 2k6y n PRO 71 Ca 0.06 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2k6y n PRO 71 Cb 0.58 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.42 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 -0.51 -0.65 -3.21 0.54 4.76 -0.39 -4.95 118.16 113.75 2k6y n LYS 72 Ca 0.07 0.16 -0.39 0.00 -2.87 0.00 0.00 58.31 55.28 2k6y n LYS 72 Cb 0.43 -4.08 -0.06 0.00 -1.84 0.00 0.00 35.03 29.48 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 2.22 -0.07 0.72 0.00 -1.07 -4.81 107.32 102.31 2k6y s GLY 73 Ca 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 44.72 44.40 2k6y s GLY 73 CO 0.00 1.07 0.20 -1.60 0.00 0.00 0.00 173.10 172.77 2k6y s ARG 74 N 1.34 3.52 -0.24 2.90 3.52 -1.26 -0.80 118.95 127.93 2k6y s ARG 74 Ca 0.27 -0.09 -0.09 0.00 -0.13 0.00 0.00 55.73 55.69 2k6y s ARG 74 Cb -0.16 -3.16 0.10 0.00 -1.56 0.00 0.00 34.95 30.17 2k6y s ARG 74 CO 0.11 0.73 0.52 0.14 -0.81 0.00 0.00 175.30 175.99 2k6y s VAL 75 N -1.13 -0.61 0.13 7.11 -7.23 -0.01 -4.99 120.40 113.67 2k6y s VAL 75 Ca 0.20 0.09 -0.16 0.00 -1.81 0.00 0.00 61.98 60.30 2k6y s VAL 75 Cb -0.13 -0.80 -0.07 0.00 0.56 0.00 0.00 36.38 35.94 2k6y s VAL 75 CO 0.10 0.04 0.57 -1.61 -0.31 0.00 0.00 175.10 173.88 2k6y s GLU 76 N 2.45 4.06 0.47 4.82 8.01 -1.26 -2.67 118.70 134.58 2k6y s GLU 76 Ca -0.05 0.59 -0.21 0.00 0.01 0.00 0.00 54.97 55.31 2k6y s GLU 76 Cb -0.11 -3.02 -0.08 0.00 -4.31 0.00 0.00 34.13 26.61 2k6y s GLU 76 CO -0.15 0.52 1.07 -0.51 0.01 0.00 0.00 175.26 176.20 2k6y s LEU 77 N -1.70 3.93 -0.28 1.80 1.02 0.40 -4.90 118.68 118.95 2k6y s LEU 77 Ca 0.35 2.05 -0.24 0.00 0.02 0.00 0.00 54.13 56.31 2k6y s LEU 77 Cb -0.16 -4.42 0.12 0.00 0.02 0.00 0.00 46.19 41.74 2k6y s LEU 77 CO 0.19 -0.80 0.98 -1.59 0.02 0.00 0.00 176.35 175.15 2k6y s LYS 78 N -2.98 0.54 0.48 1.70 -2.85 -0.04 -3.97 119.74 112.63 2k6y s LYS 78 Ca 0.65 0.68 0.22 0.00 -1.00 0.00 0.00 55.97 56.52 2k6y s LYS 78 Cb -0.21 0.25 1.23 0.00 -2.06 0.00 0.00 37.83 37.04 2k6y s LYS 78 CO 0.25 -0.07 2.02 -1.00 0.10 0.00 0.00 175.35 176.65 2k6y h PRO 79 N 4.57 0.00 -4.15 1.78 0.13 -1.97 -0.47 132.00 131.90 2k6y h PRO 79 Ca -0.28 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 64.08 2k6y h PRO 79 Cb 1.18 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 32.09 2k6y h PRO 79 CO 0.11 0.17 1.08 0.41 -0.23 0.00 0.00 178.00 179.53 2k6y n GLY 80 N -0.74 3.87 0.00 1.56 0.00 -1.26 -4.69 105.19 103.93 2k6y n GLY 80 Ca -0.02 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.75 2k6y n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6y n GLY 81 N 3.35 -0.56 3.17 -0.02 0.00 -0.96 -5.02 105.19 105.15 2k6y n GLY 81 Ca 0.32 0.26 -0.12 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.36 0.24 1.61 2.02 -0.22 -0.57 117.35 120.07 2k6y s TYR 82 Ca 0.00 0.86 -0.21 0.00 -0.37 0.00 0.00 57.07 57.34 2k6y s TYR 82 Cb 0.00 0.12 0.03 0.00 -0.40 0.00 0.00 41.96 41.71 2k6y s TYR 82 CO 0.00 -0.20 0.67 -3.38 -1.57 0.00 0.00 175.55 171.08 2k6y s HIS 83 N 0.55 -0.26 -0.13 2.71 -3.43 -0.61 -0.86 115.29 113.25 2k6y s HIS 83 Ca -0.03 -0.13 -0.12 0.00 -0.80 0.00 0.00 55.06 53.98 2k6y s HIS 83 Cb -0.05 0.64 -0.05 0.00 -1.43 0.00 0.00 32.58 31.70 2k6y s HIS 83 CO -0.03 -1.12 0.26 -0.06 -2.00 0.00 0.00 174.74 171.79 2k6y s PHE 84 N -3.88 3.53 0.13 0.38 0.08 -0.45 -0.54 117.98 117.23 2k6y s PHE 84 Ca 0.09 0.62 -0.27 0.00 0.12 0.00 0.00 56.93 57.49 2k6y s PHE 84 Cb -0.04 -2.23 -0.07 0.00 -0.57 0.00 0.00 43.02 40.10 2k6y s PHE 84 CO 0.02 0.41 0.83 -1.64 -0.10 0.00 0.00 175.22 174.74 2k6y s MET 85 N -0.10 4.62 -0.14 0.44 -1.94 0.13 -1.53 119.30 120.77 2k6y s MET 85 Ca 0.16 1.24 0.01 0.00 -1.71 0.00 0.00 55.69 55.39 2k6y s MET 85 Cb -0.13 -3.31 -0.01 0.00 2.01 0.00 0.00 34.83 33.39 2k6y s MET 85 CO 0.05 0.42 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.82 2k6y s LEU 86 N -0.65 2.52 0.09 -0.03 1.43 0.19 -1.72 118.68 120.50 2k6y s LEU 86 Ca 0.39 -0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 2k6y s LEU 86 Cb -0.23 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.39 2k6y s LEU 86 CO 0.27 0.13 -0.06 -0.76 0.23 0.00 0.00 176.35 176.15 2k6y s LEU 87 N 0.57 2.47 0.00 1.79 1.43 0.09 -0.87 118.68 124.15 2k6y s LEU 87 Ca -0.09 -0.93 0.00 0.00 -1.03 0.00 0.00 54.13 52.08 2k6y s LEU 87 Cb -0.16 -0.06 0.00 0.00 0.03 0.00 0.00 46.19 46.00 2k6y s LEU 87 CO 0.04 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2k6y n GLY 88 N 0.22 1.34 1.66 -3.19 0.00 -1.26 -1.58 105.19 102.37 2k6y n GLY 88 Ca -0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.66 0.00 0.99 4.77 -1.26 -4.85 117.00 113.99 2k6y n LEU 89 Ca 0.00 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.47 2k6y n LEU 89 Cb 0.00 -1.37 0.54 0.00 -2.33 0.00 0.00 43.42 40.26 2k6y n LEU 89 CO 0.00 -0.65 0.87 2.29 -1.33 0.00 0.00 177.39 178.57 2k6y n LYS 90 N 0.27 0.17 -3.74 3.23 2.85 -1.26 -4.65 118.16 115.03 2k6y n LYS 90 Ca -0.07 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.16 2k6y n LYS 90 Cb 0.10 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 32.91 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 -2.79 0.80 0.78 -1.58 0.52 -1.26 -5.02 118.95 110.40 2k6y s ARG 91 Ca 0.16 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.85 2k6y s ARG 91 Cb 0.15 0.35 0.06 0.00 0.52 0.00 0.00 34.95 36.04 2k6y s ARG 91 CO 0.38 -0.25 1.11 -1.25 0.02 0.00 0.00 175.30 175.32 2k6y s PRO 92 N -2.27 2.09 0.23 3.54 0.04 -1.26 -4.84 135.00 132.52 2k6y s PRO 92 Ca -0.07 1.32 0.11 0.00 0.04 0.00 0.00 61.00 62.40 2k6y s PRO 92 Cb -0.02 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2k6y s PRO 92 CO -0.01 -1.79 -0.14 -0.51 0.04 0.00 0.00 177.00 174.58 2k6y s LEU 93 N -5.83 2.77 -0.01 -3.56 1.02 -1.26 -5.07 118.68 106.74 2k6y s LEU 93 Ca 0.64 -0.80 0.00 0.00 0.02 0.00 0.00 54.13 53.99 2k6y s LEU 93 Cb -0.20 -1.38 0.02 0.00 0.02 0.00 0.00 46.19 44.65 2k6y s LEU 93 CO 0.53 0.07 0.01 -0.75 0.02 0.00 0.00 176.35 176.23 2k6y s LYS 94 N -3.18 0.07 0.11 1.70 2.36 -1.26 -5.06 119.74 114.48 2k6y s LYS 94 Ca 0.27 0.07 -0.31 0.00 -2.55 0.00 0.00 55.97 53.45 2k6y s LYS 94 Cb -0.07 -0.21 -0.08 0.00 -1.05 0.00 0.00 37.83 36.42 2k6y s LYS 94 CO 0.15 -0.08 1.46 0.00 1.55 0.00 0.00 175.35 178.43 2k6y s ALA 95 N 0.58 3.65 0.00 3.13 0.00 -1.26 -3.91 121.76 123.95 2k6y s ALA 95 Ca -0.05 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.07 2k6y s ALA 95 Cb -0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2k6y s ALA 95 CO -0.01 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.41 2k6y n GLY 96 N 3.63 1.70 2.42 0.00 0.00 -1.26 -5.13 105.19 106.55 2k6y n GLY 96 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2k6y n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k6y n GLU 97 N 0.00 0.35 -2.80 1.61 -0.58 -1.25 -4.80 120.64 113.17 2k6y n GLU 97 Ca 0.00 -1.77 -0.26 0.00 -0.42 0.00 0.00 57.16 54.70 2k6y n GLU 97 Cb 0.00 -0.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 2k6y n GLU 97 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k6y s GLU 98 N -3.94 3.41 -0.10 3.49 8.01 -1.26 -0.33 118.70 127.98 2k6y s GLU 98 Ca 0.40 -0.01 0.03 0.00 0.01 0.00 0.00 54.97 55.40 2k6y s GLU 98 Cb -0.03 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.36 2k6y s GLU 98 CO 0.26 -0.19 -0.19 0.08 0.01 0.00 0.00 175.26 175.24 2k6y s VAL 99 N -2.66 1.70 0.14 2.63 1.01 0.11 -4.78 120.40 118.55 2k6y s VAL 99 Ca 0.47 -0.79 -0.30 0.00 0.00 0.00 0.00 61.98 61.36 2k6y s VAL 99 Cb -0.10 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.70 2k6y s VAL 99 CO 0.42 0.48 1.12 -1.61 0.00 0.00 0.00 175.10 175.51 2k6y s GLU 100 N 0.70 4.55 -0.16 2.72 0.41 -1.26 -1.98 118.70 123.68 2k6y s GLU 100 Ca -0.12 1.72 -0.08 0.00 -0.41 0.00 0.00 54.97 56.08 2k6y s GLU 100 Cb -0.16 -3.30 0.06 0.00 -1.78 0.00 0.00 34.13 28.95 2k6y s GLU 100 CO 0.03 -0.02 0.38 -0.51 -0.49 0.00 0.00 175.26 174.65 2k6y s LEU 101 N 0.04 -0.15 -0.55 1.80 1.43 -0.43 -3.98 118.68 116.84 2k6y s LEU 101 Ca 0.52 0.84 -0.04 0.00 -1.03 0.00 0.00 54.13 54.42 2k6y s LEU 101 Cb -0.29 1.22 0.14 0.00 0.03 0.00 0.00 46.19 47.29 2k6y s LEU 101 CO 0.33 -0.20 0.37 -1.81 0.23 0.00 0.00 176.35 175.27 2k6y s ASP 102 N 1.69 5.34 -0.22 2.29 1.01 0.32 -0.23 116.67 126.88 2k6y s ASP 102 Ca -0.07 -2.49 -0.29 0.00 0.71 0.00 0.00 52.55 50.41 2k6y s ASP 102 Cb -0.10 -1.87 -0.02 0.00 1.01 0.00 0.00 42.92 41.94 2k6y s ASP 102 CO -0.12 -0.46 1.52 -0.76 0.21 0.00 0.00 175.17 175.55 2k6y s LEU 103 N 0.47 3.96 -0.08 1.23 1.43 -0.30 -1.38 118.68 124.01 2k6y s LEU 103 Ca 0.13 1.60 -0.22 0.00 -1.03 0.00 0.00 54.13 54.61 2k6y s LEU 103 Cb -0.21 -3.53 -0.04 0.00 0.03 0.00 0.00 46.19 42.44 2k6y s LEU 103 CO -0.04 -1.14 0.64 -0.76 0.23 0.00 0.00 176.35 175.28 2k6y s LEU 104 N 4.74 4.30 0.04 1.79 1.43 -0.01 -1.01 118.68 129.97 2k6y s LEU 104 Ca 0.67 1.08 0.07 0.00 -1.03 0.00 0.00 54.13 54.91 2k6y s LEU 104 Cb -0.24 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2k6y s LEU 104 CO 0.26 -0.08 -0.19 -0.36 0.23 0.00 0.00 176.35 176.21 2k6y s PHE 105 N 0.76 1.70 0.06 0.29 0.40 -0.35 -0.13 117.98 120.71 2k6y s PHE 105 Ca 0.34 -0.37 -0.34 0.00 -0.60 0.00 0.00 56.93 55.97 2k6y s PHE 105 Cb -0.17 -1.01 -0.13 0.00 0.51 0.00 0.00 43.02 42.22 2k6y s PHE 105 CO 0.16 0.08 1.73 0.00 0.70 0.00 0.00 175.22 177.89 2k6y n ALA 106 N 1.88 1.30 -2.11 5.36 0.00 -0.23 -2.84 120.51 123.88 2k6y n ALA 106 Ca -0.17 0.36 -0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k6y n ALA 106 Cb 0.54 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 3.91 -0.67 2.14 0.00 0.00 -1.26 -4.52 105.19 104.79 2k6y n GLY 107 Ca 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.28 0.56 3.75 -0.02 0.00 -1.25 -5.04 105.19 101.92 2k6y n GLY 108 Ca 0.00 -0.52 -0.31 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.48 2.87 -0.16 1.61 3.01 -1.13 -5.06 119.74 119.40 2k6y s LYS 109 Ca 0.00 -0.65 -0.15 0.00 -1.01 0.00 0.00 55.97 54.15 2k6y s LYS 109 Cb 0.00 -2.73 0.04 0.00 -1.01 0.00 0.00 37.83 34.14 2k6y s LYS 109 CO 0.00 0.59 0.44 0.54 0.51 0.00 0.00 175.35 177.42 2k6y s VAL 110 N -1.30 0.00 -0.20 3.17 0.11 -1.26 -1.22 120.40 119.70 2k6y s VAL 110 Ca 0.26 -0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 2k6y s VAL 110 Cb -0.12 -0.61 0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2k6y s VAL 110 CO 0.18 -0.00 -0.17 -0.76 -3.33 0.00 0.00 175.10 171.02 2k6y s LEU 111 N 0.21 2.50 0.02 2.54 1.43 -0.18 -4.95 118.68 120.26 2k6y s LEU 111 Ca -0.00 -0.87 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 2k6y s LEU 111 Cb -0.03 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 2k6y s LEU 111 CO 0.01 -0.06 1.15 -0.75 0.23 0.00 0.00 176.35 176.93 2k6y s LYS 112 N 1.24 4.44 0.01 1.70 2.20 -1.26 -1.15 119.74 126.92 2k6y s LYS 112 Ca 0.01 1.67 0.01 0.00 -0.36 0.00 0.00 55.97 57.30 2k6y s LYS 112 Cb -0.15 -3.42 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2k6y s LYS 112 CO -0.11 -0.26 -0.05 0.14 -0.36 0.00 0.00 175.35 174.71 2k6y s VAL 113 N 1.34 0.36 -0.10 4.02 -7.23 0.68 -4.99 120.40 114.47 2k6y s VAL 113 Ca 0.57 -0.54 0.03 0.00 -1.81 0.00 0.00 61.98 60.22 2k6y s VAL 113 Cb -0.26 -0.37 -0.01 0.00 0.56 0.00 0.00 36.38 36.30 2k6y s VAL 113 CO 0.27 -0.13 -0.20 0.54 -0.31 0.00 0.00 175.10 175.27 2k6y s VAL 114 N -0.66 2.47 0.03 1.32 0.11 -1.26 -1.31 120.40 121.10 2k6y s VAL 114 Ca -0.04 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.12 2k6y s VAL 114 Cb -0.05 -1.98 -0.03 0.00 -1.53 0.00 0.00 36.38 32.79 2k6y s VAL 114 CO -0.00 0.55 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.54 2k6y s LEU 115 N 0.24 2.29 0.61 2.54 1.02 -0.84 -4.98 118.68 119.57 2k6y s LEU 115 Ca -0.13 -0.66 -0.15 0.00 0.02 0.00 0.00 54.13 53.21 2k6y s LEU 115 Cb -0.16 0.17 -0.03 0.00 0.02 0.00 0.00 46.19 46.18 2k6y s LEU 115 CO 0.07 -0.41 1.05 -2.16 0.02 0.00 0.00 176.35 174.92 2k6y s PRO 116 N -2.33 3.29 0.35 1.29 0.04 -1.26 0.06 135.00 136.44 2k6y s PRO 116 Ca -0.08 1.13 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 2k6y s PRO 116 Cb -0.04 -2.03 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 2k6y s PRO 116 CO -0.04 -0.83 1.13 0.08 0.04 0.00 0.00 177.00 177.38 2k6y s VAL 117 N -2.60 3.34 0.15 -0.36 1.01 0.55 -0.94 120.40 121.55 2k6y s VAL 117 Ca 0.62 1.20 0.11 0.00 0.00 0.00 0.00 61.98 63.91 2k6y s VAL 117 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 2k6y s VAL 117 CO 0.40 0.17 -0.25 -0.70 0.00 0.00 0.00 175.10 174.72 2k6y s GLU 118 N -2.01 1.41 -0.17 2.72 -6.30 -0.02 -4.59 118.70 109.74 2k6y s GLU 118 Ca 0.52 -1.39 0.13 0.00 -2.50 0.00 0.00 54.97 51.73 2k6y s GLU 118 Cb -0.30 -1.83 0.40 0.00 0.00 0.00 0.00 34.13 32.40 2k6y s GLU 118 CO 0.38 0.42 1.20 0.00 0.02 0.00 0.00 175.26 177.29 2k6y n ALA 119 N 0.70 3.32 -1.75 6.30 0.00 -1.26 -0.34 120.51 127.49 2k6y n ALA 119 Ca -0.16 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.20 2k6y n ALA 119 Cb 0.54 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2k6y n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37