#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6y n SER 2 N 0.00 0.00 -4.64 1.61 2.88 -1.26 -4.87 113.62 107.34 2k6y n SER 2 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 2k6y n SER 2 Cb 0.00 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 63.60 2k6y n SER 2 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2k6y n PHE 3 N 3.31 0.66 -3.61 0.66 3.01 -1.26 -5.07 117.46 115.17 2k6y n PHE 3 Ca 0.00 0.38 -0.15 0.00 1.01 0.00 0.00 57.45 58.69 2k6y n PHE 3 Cb 0.00 -2.02 -0.06 0.00 -0.01 0.00 0.00 39.48 37.39 2k6y n PHE 3 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2k6y s THR 4 N -2.34 0.03 0.00 4.37 2.01 -1.26 -5.19 115.64 113.25 2k6y s THR 4 Ca 0.68 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.46 2k6y s THR 4 Cb -0.26 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2k6y s THR 4 CO 0.56 -0.12 0.00 1.21 -0.69 0.00 0.00 174.62 175.58 2k6y n GLU 5 N 0.83 1.76 -4.12 4.92 4.07 -1.26 -4.84 120.64 122.00 2k6y n GLU 5 Ca -0.19 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.80 2k6y n GLU 5 Cb 0.58 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.87 2k6y n GLU 5 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k6y s GLY 6 N 0.00 1.05 -0.06 8.31 0.00 -1.26 -1.18 107.32 114.18 2k6y s GLY 6 Ca 0.00 -1.37 -0.15 0.00 0.00 0.00 0.00 44.72 43.19 2k6y s GLY 6 CO 0.00 -1.13 0.36 0.66 0.00 0.00 0.00 173.10 172.99 2k6y s TRP 7 N -4.09 -0.29 -0.36 1.90 -2.14 -0.21 -4.27 118.94 109.48 2k6y s TRP 7 Ca 0.31 0.58 -0.07 0.00 2.66 0.00 0.00 56.10 59.58 2k6y s TRP 7 Cb 0.05 0.13 0.06 0.00 -3.10 0.00 0.00 33.47 30.61 2k6y s TRP 7 CO 0.09 -0.34 0.15 0.08 -2.66 0.00 0.00 176.95 174.27 2k6y s VAL 8 N -0.80 3.81 -0.20 -0.66 1.01 0.02 -2.23 120.40 121.35 2k6y s VAL 8 Ca -0.09 -1.30 -0.27 0.00 0.00 0.00 0.00 61.98 60.32 2k6y s VAL 8 Cb -0.04 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2k6y s VAL 8 CO 0.03 -0.31 0.93 -0.60 0.00 0.00 0.00 175.10 175.15 2k6y s ARG 9 N 1.37 4.28 0.00 2.72 3.00 -0.71 -1.17 118.95 128.44 2k6y s ARG 9 Ca 0.00 1.17 0.00 0.00 -1.00 0.00 0.00 55.73 55.90 2k6y s ARG 9 Cb -0.21 -3.61 0.00 0.00 0.00 0.00 0.00 34.95 31.14 2k6y s ARG 9 CO 0.02 -0.47 0.00 1.97 0.00 0.00 0.00 175.30 176.82 2k6y n PHE 10 N 5.73 -0.44 0.00 5.12 -1.74 -1.26 -2.74 117.46 122.13 2k6y n PHE 10 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.97 2k6y n PHE 10 Cb 0.48 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.48 2k6y n PHE 10 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2k6y n SER 11 N -0.09 0.00 0.02 5.98 2.88 -1.26 -4.49 113.62 116.66 2k6y n SER 11 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2k6y n SER 11 Cb 0.00 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 63.73 2k6y n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k6y n PRO 12 N -0.30 0.03 0.00 -1.46 -0.04 -1.26 -4.92 135.00 127.05 2k6y n PRO 12 Ca 0.00 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2k6y n PRO 12 Cb 0.00 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.89 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 -0.44 0.74 0.00 0.55 0.00 -1.26 -4.94 105.19 99.84 2k6y n GLY 13 Ca 0.02 -2.13 0.15 0.00 0.00 0.00 0.00 46.02 44.06 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 0.20 0.81 -4.05 1.61 -0.04 -1.26 -4.99 135.00 127.28 2k6y n PRO 14 Ca 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.39 2k6y n PRO 14 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -2.12 0.42 0.33 3.54 2.20 -1.26 -1.28 114.94 116.77 2k6y s ASN 15 Ca 0.41 -0.88 -0.06 0.00 -0.94 0.00 0.00 52.86 51.38 2k6y s ASN 15 Cb 0.20 0.19 0.02 0.00 -2.00 0.00 0.00 41.25 39.67 2k6y s ASN 15 CO 0.36 -0.56 0.54 0.00 -2.94 0.00 0.00 177.10 174.50 2k6y n ALA 16 N 0.35 -0.79 -3.54 3.54 0.00 -0.01 -4.71 120.51 115.34 2k6y n ALA 16 Ca -0.16 -1.34 -0.12 0.00 0.00 0.00 0.00 53.44 51.83 2k6y n ALA 16 Cb 0.60 1.08 -0.11 0.00 0.00 0.00 0.00 19.45 21.02 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 -2.40 -0.92 0.17 0.00 0.00 -1.11 -1.45 121.76 116.06 2k6y s ALA 17 Ca 0.22 1.27 0.10 0.00 0.00 0.00 0.00 51.96 53.54 2k6y s ALA 17 Cb -0.02 -0.76 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 2k6y s ALA 17 CO 0.16 -0.22 -0.19 0.00 0.00 0.00 0.00 175.76 175.51 2k6y s ALA 18 N 0.95 2.67 -0.19 0.00 0.00 -0.73 -1.74 121.76 122.72 2k6y s ALA 18 Ca -0.06 -1.52 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 2k6y s ALA 18 Cb -0.07 -0.52 0.05 0.00 0.00 0.00 0.00 23.12 22.58 2k6y s ALA 18 CO -0.07 0.48 0.48 0.71 0.00 0.00 0.00 175.76 177.36 2k6y s TYR 19 N -1.52 -0.59 -0.05 0.00 1.51 -0.95 -1.48 117.35 114.28 2k6y s TYR 19 Ca 0.21 1.35 -0.30 0.00 -1.01 0.00 0.00 57.07 57.32 2k6y s TYR 19 Cb -0.09 0.23 0.08 0.00 -0.11 0.00 0.00 41.96 42.07 2k6y s TYR 19 CO 0.11 -0.30 0.73 -0.48 -1.11 0.00 0.00 175.55 174.51 2k6y s LEU 20 N 0.62 -0.60 -0.00 -1.29 2.34 -1.26 -1.04 118.68 117.45 2k6y s LEU 20 Ca -0.03 0.61 -0.30 0.00 0.06 0.00 0.00 54.13 54.47 2k6y s LEU 20 Cb -0.05 2.43 -0.05 0.00 -0.56 0.00 0.00 46.19 47.96 2k6y s LEU 20 CO -0.04 -0.59 1.33 -0.89 -1.06 0.00 0.00 176.35 175.10 2k6y s THR 21 N -1.37 3.85 0.18 5.48 2.01 -0.32 -0.88 115.64 124.59 2k6y s THR 21 Ca -0.09 1.24 0.06 0.00 0.31 0.00 0.00 61.69 63.21 2k6y s THR 21 Cb -0.00 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 2k6y s THR 21 CO 0.07 0.01 0.10 -0.22 -0.69 0.00 0.00 174.62 173.89 2k6y s LEU 22 N 2.18 3.67 0.09 4.42 0.20 0.14 -4.81 118.68 124.58 2k6y s LEU 22 Ca 0.61 -0.22 -0.04 0.00 0.69 0.00 0.00 54.13 55.18 2k6y s LEU 22 Cb -0.30 -2.28 -0.02 0.00 -0.43 0.00 0.00 46.19 43.16 2k6y s LEU 22 CO 0.26 0.06 0.09 -1.83 -0.29 0.00 0.00 176.35 174.64 2k6y s GLU 23 N -3.13 0.81 -0.35 1.98 -1.05 -1.26 -0.48 118.70 115.22 2k6y s GLU 23 Ca 0.30 -1.18 0.00 0.00 -0.15 0.00 0.00 54.97 53.94 2k6y s GLU 23 Cb -0.10 0.28 0.11 0.00 -0.44 0.00 0.00 34.13 33.98 2k6y s GLU 23 CO 0.22 -0.23 0.14 1.21 0.95 0.00 0.00 175.26 177.56 2k6y s ASN 24 N -2.94 3.92 0.00 0.83 2.47 -0.21 -4.96 114.94 114.06 2k6y s ASN 24 Ca 0.11 -2.00 0.29 0.00 0.42 0.00 0.00 52.86 51.68 2k6y s ASN 24 Cb 0.06 -0.95 1.29 0.00 -1.45 0.00 0.00 41.25 40.21 2k6y s ASN 24 CO -0.07 -0.36 1.94 -0.81 -3.72 0.00 0.00 177.10 174.08 2k6y n PRO 25 N 4.37 0.19 -2.09 0.43 -0.04 -1.26 -1.17 135.00 135.43 2k6y n PRO 25 Ca 0.02 -0.02 -0.31 0.00 -0.04 0.00 0.00 63.50 63.15 2k6y n PRO 25 Cb 0.39 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 -2.82 1.83 0.00 0.55 0.00 -1.26 -4.61 107.32 101.01 2k6y s GLY 26 Ca 0.20 0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.98 2k6y s GLY 26 CO 0.51 0.29 1.10 1.22 0.00 0.00 0.00 173.10 176.22 2k6y n ASP 27 N -2.26 0.57 -4.76 1.64 8.00 -1.26 -2.22 116.55 116.26 2k6y n ASP 27 Ca 0.06 -1.98 -0.23 0.00 0.71 0.00 0.00 54.79 53.35 2k6y n ASP 27 Cb 0.54 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.51 2k6y n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k6y s LEU 28 N -1.02 3.32 0.49 0.64 1.43 -1.26 -4.80 118.68 117.48 2k6y s LEU 28 Ca 0.08 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.35 2k6y s LEU 28 Cb 0.04 -1.82 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 2k6y s LEU 28 CO 0.06 -0.32 0.86 -2.16 0.23 0.00 0.00 176.35 175.01 2k6y s PRO 29 N -3.88 3.68 0.07 1.29 0.04 -1.26 -3.42 135.00 131.53 2k6y s PRO 29 Ca 0.39 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.00 2k6y s PRO 29 Cb -0.03 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k6y s PRO 29 CO 0.23 -0.24 -0.13 -0.51 0.04 0.00 0.00 177.00 176.39 2k6y s LEU 30 N -4.46 2.89 -0.16 -3.56 1.43 -0.18 -4.95 118.68 109.69 2k6y s LEU 30 Ca 0.52 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2k6y s LEU 30 Cb -0.10 -1.70 0.05 0.00 0.03 0.00 0.00 46.19 44.47 2k6y s LEU 30 CO 0.41 0.22 0.04 -0.60 0.23 0.00 0.00 176.35 176.64 2k6y s ARG 31 N -1.87 0.53 -0.24 1.70 3.52 -1.26 -0.17 118.95 121.16 2k6y s ARG 31 Ca 0.18 -0.24 -0.22 0.00 -0.13 0.00 0.00 55.73 55.32 2k6y s ARG 31 Cb -0.11 -1.80 -0.02 0.00 -1.56 0.00 0.00 34.95 31.46 2k6y s ARG 31 CO 0.10 -0.57 0.69 -1.17 -0.81 0.00 0.00 175.30 173.54 2k6y s LEU 32 N 1.94 4.08 -0.03 -0.88 2.96 0.57 -0.70 118.68 126.62 2k6y s LEU 32 Ca 0.01 0.84 0.14 0.00 -0.22 0.00 0.00 54.13 54.90 2k6y s LEU 32 Cb -0.16 -2.97 -0.22 0.00 0.50 0.00 0.00 46.19 43.34 2k6y s LEU 32 CO -0.07 -0.40 0.29 1.33 -1.32 0.00 0.00 176.35 176.18 2k6y n VAL 33 N 5.11 0.08 -2.65 1.68 0.24 0.74 -0.77 118.33 122.76 2k6y n VAL 33 Ca 0.01 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2k6y n VAL 33 Cb 0.49 0.10 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 1.72 1.86 3.53 7.63 0.00 -1.04 -4.75 105.19 114.13 2k6y n GLY 34 Ca -0.04 -0.74 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 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 0.53 -0.02 4.61 0.00 -1.26 -1.30 121.76 123.32 2k6y s ALA 35 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 51.96 50.28 2k6y s ALA 35 Cb 0.00 1.10 0.08 0.00 0.00 0.00 0.00 23.12 24.30 2k6y s ALA 35 CO 0.00 -0.81 0.73 -0.98 0.00 0.00 0.00 175.76 174.69 2k6y s ARG 36 N -3.08 1.02 -0.01 0.00 1.70 -0.75 -4.70 118.95 113.12 2k6y s ARG 36 Ca 0.28 0.06 -0.21 0.00 -0.47 0.00 0.00 55.73 55.40 2k6y s ARG 36 Cb -0.01 0.48 0.04 0.00 -0.57 0.00 0.00 34.95 34.89 2k6y s ARG 36 CO 0.18 -0.36 0.45 -0.08 -1.08 0.00 0.00 175.30 174.42 2k6y s THR 37 N -1.81 0.04 0.31 4.99 -1.32 -1.26 -0.92 115.64 115.66 2k6y s THR 37 Ca -0.06 -0.33 0.30 0.00 -1.21 0.00 0.00 61.69 60.39 2k6y s THR 37 Cb -0.00 -0.82 0.32 0.00 -1.51 0.00 0.00 72.50 70.48 2k6y s THR 37 CO 0.03 -0.18 2.03 1.55 -2.21 0.00 0.00 174.62 175.84 2k6y h PRO 38 N 3.35 0.00 -0.01 7.08 0.13 -2.00 -3.27 132.00 137.29 2k6y h PRO 38 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 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 0.41 0.11 -0.15 1.33 -0.23 0.00 0.00 178.00 179.46 2k6y n VAL 39 N -3.40 0.00 -4.71 1.56 0.24 -1.26 -4.28 118.33 106.47 2k6y n VAL 39 Ca -0.01 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.34 61.92 2k6y n VAL 39 Cb 0.28 0.23 -0.16 0.00 -1.47 0.00 0.00 33.84 32.72 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 -2.38 1.36 0.11 2.33 0.00 -1.23 -2.90 121.76 119.05 2k6y s ALA 40 Ca 0.29 -0.58 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 2k6y s ALA 40 Cb 0.20 -0.48 -0.11 0.00 0.00 0.00 0.00 23.12 22.74 2k6y s ALA 40 CO 0.46 0.23 1.61 1.49 0.00 0.00 0.00 175.76 179.55 2k6y h GLU 41 N 6.37 -0.62 -6.23 0.00 4.22 -0.69 -3.40 114.58 114.23 2k6y h GLU 41 Ca -0.32 0.04 -0.57 0.00 0.08 0.00 0.00 59.36 58.59 2k6y h GLU 41 Cb 1.18 0.14 -0.21 0.00 0.50 0.00 0.00 28.75 30.36 2k6y h GLU 41 CO 0.48 -0.41 -0.82 0.50 -2.18 0.00 0.00 179.01 176.57 2k6y s ARG 42 N -5.98 1.22 -0.10 1.92 3.52 -1.21 -4.98 118.95 113.33 2k6y s ARG 42 Ca -0.16 -1.27 -0.01 0.00 -0.13 0.00 0.00 55.73 54.17 2k6y s ARG 42 Cb 0.07 -1.47 -0.03 0.00 -1.56 0.00 0.00 34.95 31.97 2k6y s ARG 42 CO 0.64 0.33 -0.07 0.08 -0.81 0.00 0.00 175.30 175.46 2k6y s VAL 43 N -1.39 3.61 -0.07 7.11 1.01 -1.26 -2.22 120.40 127.19 2k6y s VAL 43 Ca 0.10 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.62 2k6y s VAL 43 Cb -0.09 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.79 2k6y s VAL 43 CO 0.05 0.55 -0.15 -1.61 0.00 0.00 0.00 175.10 173.95 2k6y s GLU 44 N -0.25 2.00 -0.30 2.72 2.02 -0.36 -4.90 118.70 119.63 2k6y s GLU 44 Ca 0.03 -0.52 -0.24 0.00 0.02 0.00 0.00 54.97 54.26 2k6y s GLU 44 Cb -0.13 -1.60 0.00 0.00 0.10 0.00 0.00 34.13 32.50 2k6y s GLU 44 CO 0.03 0.06 0.82 -1.17 0.02 0.00 0.00 175.26 175.02 2k6y s LEU 45 N 0.58 4.07 0.12 1.80 2.96 -1.26 -0.90 118.68 126.05 2k6y s LEU 45 Ca -0.15 0.73 0.08 0.00 -0.22 0.00 0.00 54.13 54.56 2k6y s LEU 45 Cb -0.16 -3.12 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2k6y s LEU 45 CO 0.05 -0.63 -0.18 -1.00 -1.32 0.00 0.00 176.35 173.27 2k6y s HIS 46 N 3.01 1.66 0.60 5.38 3.76 -0.46 -0.30 115.29 128.94 2k6y s HIS 46 Ca 0.34 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.76 2k6y s HIS 46 Cb -0.14 -0.89 0.03 0.00 1.11 0.00 0.00 32.58 32.69 2k6y s HIS 46 CO 0.12 0.21 0.88 -1.83 -0.85 0.00 0.00 174.74 173.27 2k6y s GLU 47 N -2.22 2.61 -0.36 1.40 -1.05 0.82 -1.38 118.70 118.52 2k6y s GLU 47 Ca 0.08 -0.34 0.05 0.00 -0.15 0.00 0.00 54.97 54.60 2k6y s GLU 47 Cb -0.08 -2.33 0.17 0.00 -0.44 0.00 0.00 34.13 31.44 2k6y s GLU 47 CO 0.04 -0.82 0.48 0.99 0.95 0.00 0.00 175.26 176.91 2k6y s THR 48 N -2.96 -0.66 0.31 1.83 2.01 0.35 -3.21 115.64 113.31 2k6y s THR 48 Ca 0.56 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 62.18 2k6y s THR 48 Cb -0.10 -0.52 -0.04 0.00 0.01 0.00 0.00 72.50 71.84 2k6y s THR 48 CO 0.42 -0.29 0.16 0.72 -0.69 0.00 0.00 174.62 174.94 2k6y s PHE 49 N 1.87 2.82 0.01 4.92 -0.12 -0.16 -1.28 117.98 126.03 2k6y s PHE 49 Ca 0.15 -0.29 -0.08 0.00 -0.05 0.00 0.00 56.93 56.65 2k6y s PHE 49 Cb -0.11 -1.57 -0.05 0.00 -0.63 0.00 0.00 43.02 40.66 2k6y s PHE 49 CO -0.11 0.37 0.30 0.00 -0.05 0.00 0.00 175.22 175.73 2k6y s MET 50 N -3.85 3.63 0.01 1.99 0.23 -1.26 -2.76 119.30 117.29 2k6y s MET 50 Ca 0.37 0.01 -0.14 0.00 -1.03 0.00 0.00 55.69 54.90 2k6y s MET 50 Cb -0.05 -3.08 0.02 0.00 -1.53 0.00 0.00 34.83 30.19 2k6y s MET 50 CO 0.23 0.65 0.30 1.03 -2.03 0.00 0.00 175.02 175.20 2k6y s ARG 51 N -1.67 0.71 0.02 3.16 3.00 -0.32 -5.01 118.95 118.85 2k6y s ARG 51 Ca 0.27 -0.31 0.03 0.00 0.00 0.00 0.00 55.73 55.73 2k6y s ARG 51 Cb -0.14 0.31 -0.04 0.00 0.00 0.00 0.00 34.95 35.09 2k6y s ARG 51 CO 0.15 -0.21 -0.05 -1.21 0.00 0.00 0.00 175.30 173.98 2k6y s GLU 52 N -1.77 2.55 -0.12 3.54 8.01 -1.26 -0.20 118.70 129.45 2k6y s GLU 52 Ca -0.11 -0.74 -0.01 0.00 0.01 0.00 0.00 54.97 54.12 2k6y s GLU 52 Cb -0.04 -2.52 0.03 0.00 -4.31 0.00 0.00 34.13 27.30 2k6y s GLU 52 CO 0.02 0.59 -0.03 0.08 0.01 0.00 0.00 175.26 175.92 2k6y s VAL 53 N -1.07 0.79 -1.80 2.63 1.01 -0.26 -4.73 120.40 116.98 2k6y s VAL 53 Ca 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.89 2k6y s VAL 53 Cb -0.11 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.32 2k6y s VAL 53 CO 0.10 0.20 0.00 1.21 0.00 0.00 0.00 175.10 176.61 2k6y n GLU 54 N 5.00 -1.69 0.00 2.72 2.13 -1.26 -1.19 120.64 126.36 2k6y n GLU 54 Ca -0.10 1.01 0.00 0.00 0.66 0.00 0.00 57.16 58.73 2k6y n GLU 54 Cb 0.49 -5.64 0.00 0.00 0.27 0.00 0.00 31.44 26.56 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 -0.91 2.60 3.73 8.31 0.00 -1.26 -5.00 105.19 112.66 2k6y n GLY 55 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 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 4.58 0.18 1.61 -0.14 -0.33 -4.95 119.74 120.68 2k6y s LYS 56 Ca 0.00 1.71 -0.30 0.00 -1.36 0.00 0.00 55.97 56.02 2k6y s LYS 56 Cb 0.00 -3.29 -0.08 0.00 -1.68 0.00 0.00 37.83 32.78 2k6y s LYS 56 CO 0.00 0.04 1.15 0.15 -0.76 0.00 0.00 175.35 175.93 2k6y s LYS 57 N -0.19 4.54 0.03 1.68 -0.14 -1.26 -1.10 119.74 123.29 2k6y s LYS 57 Ca 0.50 1.80 0.04 0.00 -1.36 0.00 0.00 55.97 56.95 2k6y s LYS 57 Cb -0.29 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 2k6y s LYS 57 CO 0.34 -0.02 -0.13 0.08 -0.76 0.00 0.00 175.35 174.86 2k6y s VAL 58 N -0.11 0.99 -0.02 3.17 1.01 0.73 -4.92 120.40 121.25 2k6y s VAL 58 Ca 0.51 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2k6y s VAL 58 Cb -0.31 -0.90 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 2k6y s VAL 58 CO 0.36 0.02 -0.13 -0.04 0.00 0.00 0.00 175.10 175.31 2k6y s MET 59 N -0.98 1.10 0.26 2.72 -1.94 -1.26 -1.18 119.30 118.02 2k6y s MET 59 Ca 0.01 -0.45 -0.17 0.00 -1.71 0.00 0.00 55.69 53.36 2k6y s MET 59 Cb -0.07 -1.05 0.06 0.00 2.01 0.00 0.00 34.83 35.78 2k6y s MET 59 CO 0.01 0.25 0.86 0.41 -0.01 0.00 0.00 175.02 176.54 2k6y n GLY 60 N 2.87 0.83 3.74 -0.03 0.00 -1.11 -5.00 105.19 106.48 2k6y n GLY 60 Ca -0.15 -1.18 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.06 2.16 0.00 1.61 -1.94 -1.26 -0.99 119.30 116.82 2k6y s MET 61 Ca 0.18 -2.37 0.00 0.00 -1.71 0.00 0.00 55.69 51.80 2k6y s MET 61 Cb -0.03 -1.50 0.00 0.00 2.01 0.00 0.00 34.83 35.30 2k6y s MET 61 CO 0.08 -0.34 0.00 0.54 -0.01 0.00 0.00 175.02 175.29 2k6y n ARG 62 N -1.22 0.00 -1.70 2.03 1.74 -1.20 -4.97 116.66 111.34 2k6y n ARG 62 Ca -0.17 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.57 2k6y n ARG 62 Cb 0.67 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 32.17 2k6y n ARG 62 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2k6y s PRO 63 N -1.31 2.66 0.18 5.56 0.05 -1.26 -0.13 135.00 140.75 2k6y s PRO 63 Ca 0.00 1.50 0.09 0.00 0.05 0.00 0.00 61.00 62.64 2k6y s PRO 63 Cb 0.00 -1.92 -0.04 0.00 0.05 0.00 0.00 34.50 32.58 2k6y s PRO 63 CO 0.00 -1.38 -0.18 0.14 0.05 0.00 0.00 177.00 175.63 2k6y s VAL 64 N -2.21 1.85 0.17 -0.36 -7.23 0.59 -4.74 120.40 108.49 2k6y s VAL 64 Ca 0.69 -2.01 0.35 0.00 -1.81 0.00 0.00 61.98 59.21 2k6y s VAL 64 Cb -0.23 -1.92 0.40 0.00 0.56 0.00 0.00 36.38 35.19 2k6y s VAL 64 CO 0.41 -0.37 2.04 1.55 -0.31 0.00 0.00 175.10 178.42 2k6y h PRO 65 N 3.05 0.00 0.00 4.82 0.13 -1.96 -3.43 132.00 134.61 2k6y h PRO 65 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2k6y h PRO 65 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k6y h PRO 65 CO 0.54 0.00 0.00 1.97 -0.23 0.00 0.00 178.00 180.28 2k6y n PHE 66 N -3.08 0.00 -4.52 1.56 1.16 -1.26 -4.79 117.46 106.53 2k6y n PHE 66 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.33 2k6y n PHE 66 Cb 0.27 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.04 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 2.69 0.10 5.98 1.43 0.05 -5.01 118.68 123.92 2k6y s LEU 67 Ca 0.00 -1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 51.78 2k6y s LEU 67 Cb 0.00 -1.03 0.04 0.00 0.03 0.00 0.00 46.19 45.23 2k6y s LEU 67 CO 0.00 -0.14 0.41 -1.83 0.23 0.00 0.00 176.35 175.02 2k6y s GLU 68 N -3.58 1.03 -0.10 1.70 -1.05 -1.26 -0.32 118.70 115.12 2k6y s GLU 68 Ca 0.32 -0.60 -0.06 0.00 -0.15 0.00 0.00 54.97 54.48 2k6y s GLU 68 Cb 0.00 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.18 2k6y s GLU 68 CO 0.16 -0.39 0.24 0.08 0.95 0.00 0.00 175.26 176.30 2k6y s VAL 69 N -3.40 -0.03 0.91 1.83 1.01 0.76 -4.98 120.40 116.51 2k6y s VAL 69 Ca 0.00 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 2k6y s VAL 69 Cb 0.01 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.17 2k6y s VAL 69 CO -0.09 0.04 1.11 -2.16 0.00 0.00 0.00 175.10 174.00 2k6y s PRO 70 N 0.84 1.14 0.14 2.72 0.04 -1.26 -1.01 135.00 137.62 2k6y s PRO 70 Ca -0.06 0.47 -0.28 0.00 0.04 0.00 0.00 61.00 61.16 2k6y s PRO 70 Cb -0.07 -1.82 -0.16 0.00 0.04 0.00 0.00 34.50 32.48 2k6y s PRO 70 CO -0.05 -2.23 0.60 -2.30 0.04 0.00 0.00 177.00 173.06 2k6y n PRO 71 N -3.82 0.00 -0.74 0.56 -0.02 -1.22 -2.82 135.00 126.93 2k6y n PRO 71 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.54 2k6y n PRO 71 Cb 0.58 -1.03 0.00 0.00 -0.02 0.00 0.00 33.50 33.02 2k6y n PRO 71 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2k6y n LYS 72 N 1.03 -0.14 -2.83 -0.52 4.76 -0.32 -4.94 118.16 115.20 2k6y n LYS 72 Ca 0.17 0.04 -0.42 0.00 -2.87 0.00 0.00 58.31 55.22 2k6y n LYS 72 Cb 0.19 -3.72 -0.04 0.00 -1.84 0.00 0.00 35.03 29.62 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 1.60 -0.26 0.72 0.00 -0.98 -4.80 107.32 101.61 2k6y s GLY 73 Ca 0.00 -0.43 -0.11 0.00 0.00 0.00 0.00 44.72 44.18 2k6y s GLY 73 CO 0.00 1.96 0.19 -1.60 0.00 0.00 0.00 173.10 173.65 2k6y s ARG 74 N 3.35 4.01 -0.10 2.90 3.00 -1.26 -1.04 118.95 129.81 2k6y s ARG 74 Ca 0.37 -0.27 -0.22 0.00 -1.00 0.00 0.00 55.73 54.61 2k6y s ARG 74 Cb -0.13 -3.61 0.05 0.00 0.00 0.00 0.00 34.95 31.27 2k6y s ARG 74 CO 0.17 -0.08 0.52 0.14 0.00 0.00 0.00 175.30 176.06 2k6y s VAL 75 N 1.46 0.02 0.09 7.11 -7.23 0.37 -4.99 120.40 117.23 2k6y s VAL 75 Ca 0.08 -0.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.96 2k6y s VAL 75 Cb -0.15 -0.80 -0.06 0.00 0.56 0.00 0.00 36.38 35.93 2k6y s VAL 75 CO 0.08 -0.08 0.50 -1.61 -0.31 0.00 0.00 175.10 173.69 2k6y s GLU 76 N -0.68 3.98 -0.70 4.82 8.01 -1.26 -0.69 118.70 132.19 2k6y s GLU 76 Ca -0.08 0.48 -0.21 0.00 0.01 0.00 0.00 54.97 55.18 2k6y s GLU 76 Cb -0.03 -3.07 -0.17 0.00 -4.31 0.00 0.00 34.13 26.55 2k6y s GLU 76 CO 0.05 0.57 1.89 1.28 0.01 0.00 0.00 175.26 179.07 2k6y n LEU 77 N 1.24 3.80 -4.68 1.80 4.32 -0.06 -4.93 117.00 118.49 2k6y n LEU 77 Ca -0.09 -2.72 -0.49 0.00 -0.02 0.00 0.00 56.01 52.69 2k6y n LEU 77 Cb 0.52 -1.04 -0.05 0.00 -1.62 0.00 0.00 43.42 41.23 2k6y n LEU 77 CO 0.41 -0.44 1.39 2.29 -1.22 0.00 0.00 177.39 179.82 2k6y n LYS 78 N 6.79 2.03 -0.29 3.23 2.85 -1.25 -4.00 118.16 127.52 2k6y n LYS 78 Ca 0.48 0.74 0.00 0.00 -1.05 0.00 0.00 58.31 58.48 2k6y n LYS 78 Cb 0.37 -2.55 0.13 0.00 -0.65 0.00 0.00 35.03 32.33 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 8.14 0.89 -4.99 -1.58 0.13 -1.93 0.30 132.00 132.96 2k6y h PRO 79 Ca -0.47 -0.05 -0.67 0.00 -0.87 0.00 0.00 66.00 63.93 2k6y h PRO 79 Cb 1.27 -0.20 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 2k6y h PRO 79 CO 0.93 0.59 2.55 0.41 -0.23 0.00 0.00 178.00 182.25 2k6y n GLY 80 N -1.32 3.28 0.00 1.56 0.00 -1.26 -4.04 105.19 103.41 2k6y n GLY 80 Ca 0.11 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 4.83 -0.48 3.29 -0.02 0.00 -0.41 -4.98 105.19 107.43 2k6y n GLY 81 Ca 0.50 0.33 -0.14 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.26 0.28 1.61 1.51 -0.01 -0.50 117.35 119.98 2k6y s TYR 82 Ca 0.00 0.38 -0.21 0.00 -1.01 0.00 0.00 57.07 56.24 2k6y s TYR 82 Cb 0.00 0.16 0.02 0.00 -0.11 0.00 0.00 41.96 42.03 2k6y s TYR 82 CO 0.00 -0.45 0.73 -3.38 -1.11 0.00 0.00 175.55 171.35 2k6y s HIS 83 N -1.47 -0.16 -0.21 2.71 -3.43 -0.48 -3.83 115.29 108.42 2k6y s HIS 83 Ca -0.12 -0.31 -0.09 0.00 -0.80 0.00 0.00 55.06 53.74 2k6y s HIS 83 Cb -0.04 0.72 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 2k6y s HIS 83 CO 0.04 -1.26 0.10 -0.06 -2.00 0.00 0.00 174.74 171.57 2k6y s PHE 84 N -3.77 3.27 -0.14 0.38 0.08 -0.55 -1.36 117.98 115.89 2k6y s PHE 84 Ca 0.11 0.09 -0.26 0.00 0.12 0.00 0.00 56.93 56.99 2k6y s PHE 84 Cb -0.06 -2.16 -0.02 0.00 -0.57 0.00 0.00 43.02 40.22 2k6y s PHE 84 CO 0.07 0.09 0.86 -1.64 -0.10 0.00 0.00 175.22 174.50 2k6y s MET 85 N 0.71 4.35 -0.14 0.44 -1.94 -0.08 -1.77 119.30 120.87 2k6y s MET 85 Ca 0.05 1.10 -0.05 0.00 -1.71 0.00 0.00 55.69 55.09 2k6y s MET 85 Cb -0.13 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.12 2k6y s MET 85 CO 0.02 -0.28 0.03 -0.51 -0.01 0.00 0.00 175.02 174.27 2k6y s LEU 86 N 1.95 3.70 0.13 -0.03 1.43 -0.53 -1.23 118.68 124.11 2k6y s LEU 86 Ca 0.41 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.64 2k6y s LEU 86 Cb -0.17 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 2k6y s LEU 86 CO 0.15 0.27 -0.06 -0.76 0.23 0.00 0.00 176.35 176.17 2k6y s LEU 87 N -0.20 2.43 -1.33 1.79 1.43 -0.94 -0.83 118.68 121.04 2k6y s LEU 87 Ca 0.06 -1.05 -0.08 0.00 -1.03 0.00 0.00 54.13 52.04 2k6y s LEU 87 Cb -0.12 -0.16 0.05 0.00 0.03 0.00 0.00 46.19 45.99 2k6y s LEU 87 CO 0.02 -0.45 0.48 0.61 0.23 0.00 0.00 176.35 177.24 2k6y n GLY 88 N -0.14 -0.49 2.87 -3.19 0.00 -0.40 -0.27 105.19 103.57 2k6y n GLY 88 Ca -0.10 0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.73 0.48 -0.21 0.99 4.77 -1.26 -3.58 117.00 114.45 2k6y n LEU 89 Ca -0.05 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2k6y n LEU 89 Cb 0.56 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2k6y n LEU 89 CO 0.48 -0.64 0.34 2.29 -1.33 0.00 0.00 177.39 178.53 2k6y n LYS 90 N 6.78 0.86 -3.56 3.23 2.85 -1.14 -4.55 118.16 122.62 2k6y n LYS 90 Ca 0.51 0.00 -0.17 0.00 -1.05 0.00 0.00 58.31 57.60 2k6y n LYS 90 Cb -0.01 -1.18 -0.06 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.57 0.97 1.04 -1.58 0.52 -1.26 -4.94 118.95 112.14 2k6y s ARG 91 Ca 0.00 0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 55.54 2k6y s ARG 91 Cb 0.00 0.46 0.21 0.00 0.52 0.00 0.00 34.95 36.15 2k6y s ARG 91 CO 0.00 -0.26 1.09 -1.25 0.02 0.00 0.00 175.30 174.90 2k6y s PRO 92 N -0.73 0.07 0.06 3.54 0.04 -1.26 -4.89 135.00 131.82 2k6y s PRO 92 Ca -0.08 0.47 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 2k6y s PRO 92 Cb -0.02 -1.70 -0.00 0.00 0.04 0.00 0.00 34.50 32.82 2k6y s PRO 92 CO 0.07 -2.97 0.17 -0.48 0.04 0.00 0.00 177.00 173.83 2k6y s LEU 93 N -6.60 1.51 -0.02 -3.56 -0.00 -1.26 -5.05 118.68 103.70 2k6y s LEU 93 Ca 0.66 -0.56 -0.04 0.00 -0.00 0.00 0.00 54.13 54.19 2k6y s LEU 93 Cb -0.19 0.91 0.00 0.00 -0.00 0.00 0.00 46.19 46.92 2k6y s LEU 93 CO 0.58 -0.64 0.10 -0.75 -0.00 0.00 0.00 176.35 175.65 2k6y s LYS 94 N -3.28 0.26 0.44 1.48 2.36 -1.26 -5.08 119.74 114.65 2k6y s LYS 94 Ca 0.01 -0.10 -0.25 0.00 -2.55 0.00 0.00 55.97 53.08 2k6y s LYS 94 Cb 0.02 0.11 -0.08 0.00 -1.05 0.00 0.00 37.83 36.84 2k6y s LYS 94 CO -0.08 -0.05 1.29 0.00 1.55 0.00 0.00 175.35 178.06 2k6y s ALA 95 N -0.55 3.13 -0.39 3.13 0.00 -1.26 -3.91 121.76 121.91 2k6y s ALA 95 Ca -0.06 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 2k6y s ALA 95 Cb -0.04 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.60 2k6y s ALA 95 CO 0.00 -0.90 0.33 0.41 0.00 0.00 0.00 175.76 175.60 2k6y n GLY 96 N 0.63 0.34 3.90 0.00 0.00 -1.25 -5.09 105.19 103.72 2k6y n GLY 96 Ca 0.06 -0.35 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 2k6y n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k6y s GLU 97 N -4.89 2.27 0.51 1.61 0.41 -1.25 -5.02 118.70 112.34 2k6y s GLU 97 Ca 0.09 -1.97 -0.05 0.00 -0.41 0.00 0.00 54.97 52.62 2k6y s GLU 97 Cb -0.04 -2.13 -0.02 0.00 -1.78 0.00 0.00 34.13 30.16 2k6y s GLU 97 CO 0.22 -0.59 0.80 -1.21 -0.49 0.00 0.00 175.26 173.99 2k6y s GLU 98 N -4.28 3.34 -0.06 1.61 8.01 -1.26 -0.12 118.70 125.94 2k6y s GLU 98 Ca 0.36 0.08 0.04 0.00 0.01 0.00 0.00 54.97 55.46 2k6y s GLU 98 Cb -0.02 -2.37 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 2k6y s GLU 98 CO 0.22 -0.34 -0.17 0.08 0.01 0.00 0.00 175.26 175.06 2k6y s VAL 99 N -2.79 1.47 0.25 2.63 1.01 0.95 -4.76 120.40 119.16 2k6y s VAL 99 Ca 0.49 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 2k6y s VAL 99 Cb -0.10 -1.28 -0.09 0.00 0.00 0.00 0.00 36.38 34.91 2k6y s VAL 99 CO 0.44 0.43 0.77 -0.70 0.00 0.00 0.00 175.10 176.03 2k6y s GLU 100 N 0.23 4.30 -0.23 2.72 -6.30 -1.26 -1.61 118.70 116.56 2k6y s GLU 100 Ca -0.09 0.94 -0.14 0.00 -2.50 0.00 0.00 54.97 53.18 2k6y s GLU 100 Cb -0.14 -2.84 0.07 0.00 0.00 0.00 0.00 34.13 31.22 2k6y s GLU 100 CO 0.04 0.36 0.57 -1.17 0.02 0.00 0.00 175.26 175.08 2k6y s LEU 101 N -2.04 -0.53 -0.35 2.70 0.20 -0.32 -4.13 118.68 114.22 2k6y s LEU 101 Ca 0.45 1.24 -0.21 0.00 0.69 0.00 0.00 54.13 56.30 2k6y s LEU 101 Cb -0.17 1.96 0.00 0.00 -0.43 0.00 0.00 46.19 47.55 2k6y s LEU 101 CO 0.21 -0.22 0.65 -1.81 -0.29 0.00 0.00 176.35 174.89 2k6y s ASP 102 N 1.32 6.45 -0.26 3.68 1.01 -0.10 -0.20 116.67 128.58 2k6y s ASP 102 Ca -0.08 0.22 -0.28 0.00 0.71 0.00 0.00 52.55 53.12 2k6y s ASP 102 Cb -0.06 -2.33 0.01 0.00 1.01 0.00 0.00 42.92 41.54 2k6y s ASP 102 CO -0.14 -0.58 1.00 -0.76 0.21 0.00 0.00 175.17 174.90 2k6y s LEU 103 N 2.72 4.05 -0.25 1.23 1.43 -0.30 -1.81 118.68 125.75 2k6y s LEU 103 Ca 0.25 1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 54.43 2k6y s LEU 103 Cb -0.14 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 2k6y s LEU 103 CO 0.14 -0.70 0.24 -0.76 0.23 0.00 0.00 176.35 175.51 2k6y s LEU 104 N 3.25 4.08 0.18 1.79 1.43 -0.42 -1.97 118.68 127.01 2k6y s LEU 104 Ca 0.42 0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.77 2k6y s LEU 104 Cb -0.14 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.81 2k6y s LEU 104 CO 0.09 -0.04 -0.08 -0.36 0.23 0.00 0.00 176.35 176.19 2k6y s PHE 105 N 1.51 2.67 -0.69 0.29 0.08 -0.49 -0.18 117.98 121.16 2k6y s PHE 105 Ca 0.10 -0.21 -0.26 0.00 0.12 0.00 0.00 56.93 56.69 2k6y s PHE 105 Cb -0.15 -1.30 -0.05 0.00 -0.57 0.00 0.00 43.02 40.95 2k6y s PHE 105 CO 0.08 0.51 2.06 0.00 -0.10 0.00 0.00 175.22 177.77 2k6y s ALA 106 N -1.71 1.73 0.00 5.36 0.00 0.13 -4.29 121.76 122.98 2k6y s ALA 106 Ca 0.25 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2k6y s ALA 106 Cb -0.09 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.61 2k6y s ALA 106 CO 0.16 -4.53 0.00 0.41 0.00 0.00 0.00 175.76 171.80 2k6y n GLY 107 N 6.22 0.22 1.36 0.00 0.00 -1.26 -4.84 105.19 106.89 2k6y n GLY 107 Ca 0.32 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 2.29 3.08 -0.02 0.00 -1.26 -4.84 105.19 104.45 2k6y n GLY 108 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.05 1.63 0.02 1.61 1.02 -1.26 -5.10 119.74 117.70 2k6y s LYS 109 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.49 2k6y s LYS 109 Cb 0.00 -1.40 -0.02 0.00 -0.52 0.00 0.00 37.83 35.89 2k6y s LYS 109 CO 0.00 0.17 -0.04 0.54 -0.92 0.00 0.00 175.35 175.10 2k6y s VAL 110 N 0.22 0.23 -0.11 3.17 0.11 -1.26 -1.40 120.40 121.36 2k6y s VAL 110 Ca -0.06 -0.73 -0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2k6y s VAL 110 Cb -0.12 -0.31 0.05 0.00 -1.53 0.00 0.00 36.38 34.47 2k6y s VAL 110 CO 0.02 -0.33 0.10 -0.76 -3.33 0.00 0.00 175.10 170.81 2k6y s LEU 111 N -1.11 0.14 0.36 2.54 1.43 -0.83 -4.98 118.68 116.21 2k6y s LEU 111 Ca -0.10 -0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2k6y s LEU 111 Cb -0.08 -0.04 -0.07 0.00 0.03 0.00 0.00 46.19 46.04 2k6y s LEU 111 CO -0.00 -0.29 0.72 -1.59 0.23 0.00 0.00 176.35 175.42 2k6y s LYS 112 N 2.20 3.82 0.20 1.70 -2.85 -1.26 -1.15 119.74 122.40 2k6y s LYS 112 Ca 0.04 0.46 0.01 0.00 -1.00 0.00 0.00 55.97 55.48 2k6y s LYS 112 Cb -0.14 -2.45 -0.05 0.00 -2.06 0.00 0.00 37.83 33.14 2k6y s LYS 112 CO -0.06 0.07 0.05 0.14 0.10 0.00 0.00 175.35 175.65 2k6y s VAL 113 N -2.19 0.51 -0.03 1.79 -7.23 0.72 -4.93 120.40 109.05 2k6y s VAL 113 Ca 0.51 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.71 2k6y s VAL 113 Cb -0.10 -2.32 0.01 0.00 0.56 0.00 0.00 36.38 34.53 2k6y s VAL 113 CO 0.27 -0.27 -0.05 0.54 -0.31 0.00 0.00 175.10 175.28 2k6y s VAL 114 N -3.78 0.46 0.02 1.32 0.11 -1.26 -1.18 120.40 116.09 2k6y s VAL 114 Ca 0.30 -0.15 -0.08 0.00 -2.93 0.00 0.00 61.98 59.11 2k6y s VAL 114 Cb 0.07 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.46 2k6y s VAL 114 CO 0.08 0.18 0.16 -0.76 -3.33 0.00 0.00 175.10 171.43 2k6y s LEU 115 N 0.48 1.47 0.60 2.54 1.43 -0.63 -4.98 118.68 119.59 2k6y s LEU 115 Ca -0.06 -0.29 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 2k6y s LEU 115 Cb -0.09 0.81 -0.03 0.00 0.03 0.00 0.00 46.19 46.90 2k6y s LEU 115 CO -0.00 -0.46 1.14 -2.16 0.23 0.00 0.00 176.35 175.09 2k6y s PRO 116 N -1.99 3.05 -0.69 1.29 0.04 -1.26 -0.03 135.00 135.41 2k6y s PRO 116 Ca -0.10 1.57 -0.25 0.00 0.04 0.00 0.00 61.00 62.26 2k6y s PRO 116 Cb -0.04 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2k6y s PRO 116 CO -0.01 -1.08 1.14 0.08 0.04 0.00 0.00 177.00 177.16 2k6y s VAL 117 N -1.96 4.00 -1.23 -0.36 1.01 0.83 -0.80 120.40 121.90 2k6y s VAL 117 Ca 0.71 0.14 -0.11 0.00 0.00 0.00 0.00 61.98 62.73 2k6y s VAL 117 Cb -0.24 -4.80 0.18 0.00 0.00 0.00 0.00 36.38 31.53 2k6y s VAL 117 CO 0.34 -1.63 1.63 1.21 0.00 0.00 0.00 175.10 176.65 2k6y n GLU 118 N 8.58 3.57 -2.12 2.72 4.07 -0.32 -3.88 120.64 133.27 2k6y n GLU 118 Ca 0.01 -3.77 -0.42 0.00 -0.06 0.00 0.00 57.16 52.91 2k6y n GLU 118 Cb 0.48 -2.93 -0.03 0.00 -0.06 0.00 0.00 31.44 28.90 2k6y n GLU 118 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2k6y s ALA 119 N 0.58 3.63 0.00 4.31 0.00 -1.26 -4.08 121.76 124.94 2k6y s ALA 119 Ca 0.40 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.48 2k6y s ALA 119 Cb 0.03 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2k6y s ALA 119 CO 0.01 -0.74 0.00 2.89 0.00 0.00 0.00 175.76 177.91