#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 -0.58 -0.22 1.61 0.01 -1.26 -5.16 113.70 108.10 2k6y s SER 2 Ca 0.00 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 57.99 2k6y s SER 2 Cb 0.00 0.77 0.10 0.00 0.21 0.00 0.00 66.02 67.09 2k6y s SER 2 CO 0.00 -0.44 0.47 -0.36 0.41 0.00 0.00 173.24 173.32 2k6y s PHE 3 N -0.66 -0.90 -0.31 2.43 0.08 -1.26 -5.13 117.98 112.23 2k6y s PHE 3 Ca -0.07 1.69 -0.03 0.00 0.12 0.00 0.00 56.93 58.64 2k6y s PHE 3 Cb -0.02 0.42 0.11 0.00 -0.57 0.00 0.00 43.02 42.96 2k6y s PHE 3 CO 0.06 -0.51 0.17 0.95 -0.10 0.00 0.00 175.22 175.79 2k6y s THR 4 N 2.54 -0.07 -0.24 0.64 -4.23 -1.26 -4.70 115.64 108.32 2k6y s THR 4 Ca -0.04 -0.94 -0.08 0.00 -1.18 0.00 0.00 61.69 59.46 2k6y s THR 4 Cb -0.11 -1.00 -0.04 0.00 1.34 0.00 0.00 72.50 72.69 2k6y s THR 4 CO -0.14 -0.75 0.09 -1.83 -0.54 0.00 0.00 174.62 171.45 2k6y s GLU 5 N 1.89 3.80 0.27 3.99 1.03 -1.25 -4.87 118.70 123.56 2k6y s GLU 5 Ca 0.11 -0.41 -0.10 0.00 0.03 0.00 0.00 54.97 54.60 2k6y s GLU 5 Cb -0.17 -3.36 -0.00 0.00 -0.80 0.00 0.00 34.13 29.79 2k6y s GLU 5 CO -0.27 -0.07 0.48 0.20 -1.33 0.00 0.00 175.26 174.27 2k6y s GLY 6 N 1.33 0.76 -0.28 -3.83 0.00 -1.26 -0.62 107.32 103.42 2k6y s GLY 6 Ca 0.05 -1.04 -0.16 0.00 0.00 0.00 0.00 44.72 43.58 2k6y s GLY 6 CO 0.04 -0.72 0.68 0.66 0.00 0.00 0.00 173.10 173.77 2k6y s TRP 7 N -3.71 -1.06 -0.59 1.90 -2.14 -0.65 -4.20 118.94 108.50 2k6y s TRP 7 Ca 0.24 2.11 -0.22 0.00 2.66 0.00 0.00 56.10 60.89 2k6y s TRP 7 Cb -0.01 0.63 0.06 0.00 -3.10 0.00 0.00 33.47 31.05 2k6y s TRP 7 CO 0.12 -0.52 0.88 0.08 -2.66 0.00 0.00 176.95 174.84 2k6y s VAL 8 N 1.66 4.48 -0.37 -0.66 1.01 -0.01 -1.83 120.40 124.67 2k6y s VAL 8 Ca -0.10 -0.20 -0.25 0.00 0.00 0.00 0.00 61.98 61.44 2k6y s VAL 8 Cb -0.05 -4.55 0.01 0.00 0.00 0.00 0.00 36.38 31.79 2k6y s VAL 8 CO -0.20 -1.19 0.87 -0.60 0.00 0.00 0.00 175.10 173.98 2k6y s ARG 9 N 3.67 3.80 0.91 2.72 3.52 -1.14 -2.91 118.95 129.51 2k6y s ARG 9 Ca 0.23 0.47 -0.11 0.00 -0.13 0.00 0.00 55.73 56.19 2k6y s ARG 9 Cb -0.16 -3.81 0.14 0.00 -1.56 0.00 0.00 34.95 29.56 2k6y s ARG 9 CO 0.13 -0.91 1.10 0.12 -0.81 0.00 0.00 175.30 174.94 2k6y s PHE 10 N 3.31 2.07 -0.26 5.12 5.36 -0.07 -2.26 117.98 131.25 2k6y s PHE 10 Ca 0.35 1.45 -0.26 0.00 -0.96 0.00 0.00 56.93 57.51 2k6y s PHE 10 Cb -0.12 -3.17 0.13 0.00 -0.34 0.00 0.00 43.02 39.51 2k6y s PHE 10 CO 0.18 -2.57 1.05 0.45 -1.46 0.00 0.00 175.22 172.87 2k6y s SER 11 N -3.10 -0.41 0.00 6.13 0.15 -1.26 -4.36 113.70 110.85 2k6y s SER 11 Ca 0.64 0.71 0.24 0.00 0.70 0.00 0.00 55.95 58.25 2k6y s SER 11 Cb -0.20 0.70 1.12 0.00 -1.71 0.00 0.00 66.02 65.93 2k6y s SER 11 CO 0.58 -0.19 1.80 -0.81 1.20 0.00 0.00 173.24 175.82 2k6y n PRO 12 N 1.83 0.13 0.00 5.44 -0.04 -1.26 -4.34 135.00 136.76 2k6y n PRO 12 Ca -0.12 0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 2k6y n PRO 12 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 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 0.94 3.39 0.00 0.55 0.00 -1.26 -4.86 105.19 103.95 2k6y n GLY 13 Ca 0.08 -1.14 0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.35 0.47 -3.97 1.61 -0.04 -1.26 -4.93 135.00 125.52 2k6y n PRO 14 Ca 0.00 0.03 -0.10 0.00 -0.04 0.00 0.00 63.50 63.39 2k6y n PRO 14 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -2.14 0.10 0.27 3.54 2.20 -1.26 -3.59 114.94 114.06 2k6y s ASN 15 Ca 0.23 -1.03 0.02 0.00 -0.94 0.00 0.00 52.86 51.14 2k6y s ASN 15 Cb 0.12 0.66 -0.05 0.00 -2.00 0.00 0.00 41.25 39.99 2k6y s ASN 15 CO 0.21 -1.29 0.12 0.00 -2.94 0.00 0.00 177.10 173.20 2k6y s ALA 16 N -3.54 1.80 -0.24 3.54 0.00 -0.87 -4.36 121.76 118.10 2k6y s ALA 16 Ca 0.21 -1.81 -0.04 0.00 0.00 0.00 0.00 51.96 50.32 2k6y s ALA 16 Cb -0.02 1.09 0.08 0.00 0.00 0.00 0.00 23.12 24.27 2k6y s ALA 16 CO 0.11 -0.48 0.11 0.00 0.00 0.00 0.00 175.76 175.51 2k6y s ALA 17 N -3.72 0.57 0.20 0.00 0.00 -0.96 -1.13 121.76 116.72 2k6y s ALA 17 Ca 0.37 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.49 2k6y s ALA 17 Cb 0.07 -1.24 -0.07 0.00 0.00 0.00 0.00 23.12 21.88 2k6y s ALA 17 CO 0.15 -1.44 0.49 0.00 0.00 0.00 0.00 175.76 174.96 2k6y s ALA 18 N 2.10 3.65 0.12 0.00 0.00 -0.34 -2.90 121.76 124.39 2k6y s ALA 18 Ca 0.06 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2k6y s ALA 18 Cb -0.16 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 2k6y s ALA 18 CO -0.24 0.57 0.00 0.71 0.00 0.00 0.00 175.76 176.80 2k6y s TYR 19 N -1.76 0.87 -0.12 0.00 2.02 -0.76 -1.67 117.35 115.92 2k6y s TYR 19 Ca 0.45 -1.09 -0.30 0.00 -0.37 0.00 0.00 57.07 55.76 2k6y s TYR 19 Cb -0.12 -0.51 0.12 0.00 -0.40 0.00 0.00 41.96 41.05 2k6y s TYR 19 CO 0.22 -0.35 0.95 -0.48 -1.57 0.00 0.00 175.55 174.32 2k6y s LEU 20 N -3.05 -0.38 0.21 -1.29 2.34 -1.26 -1.64 118.68 113.61 2k6y s LEU 20 Ca 0.18 0.32 -0.23 0.00 0.06 0.00 0.00 54.13 54.46 2k6y s LEU 20 Cb 0.07 1.94 -0.08 0.00 -0.56 0.00 0.00 46.19 47.55 2k6y s LEU 20 CO -0.02 -0.43 0.78 -0.89 -1.06 0.00 0.00 176.35 174.73 2k6y s THR 21 N -1.62 4.43 0.01 5.48 2.01 0.21 -1.16 115.64 124.99 2k6y s THR 21 Ca -0.01 1.55 0.00 0.00 0.31 0.00 0.00 61.69 63.54 2k6y s THR 21 Cb -0.01 -4.01 -0.01 0.00 0.01 0.00 0.00 72.50 68.48 2k6y s THR 21 CO -0.00 0.35 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.03 2k6y s LEU 22 N -1.60 2.15 0.00 4.42 1.98 -0.22 -3.92 118.68 121.50 2k6y s LEU 22 Ca 0.40 -0.32 0.07 0.00 -2.89 0.00 0.00 54.13 51.39 2k6y s LEU 22 Cb -0.20 0.05 -0.03 0.00 0.66 0.00 0.00 46.19 46.67 2k6y s LEU 22 CO 0.24 -0.19 -0.20 -1.83 -1.89 0.00 0.00 176.35 172.48 2k6y s GLU 23 N -0.93 2.16 -0.46 1.98 -1.05 -1.26 -0.91 118.70 118.23 2k6y s GLU 23 Ca -0.10 -0.91 -0.14 0.00 -0.15 0.00 0.00 54.97 53.67 2k6y s GLU 23 Cb -0.06 -2.18 0.07 0.00 -0.44 0.00 0.00 34.13 31.52 2k6y s GLU 23 CO -0.01 0.56 0.36 1.21 0.95 0.00 0.00 175.26 178.34 2k6y s ASN 24 N -1.04 6.03 0.00 0.83 2.47 -0.21 -4.96 114.94 118.06 2k6y s ASN 24 Ca 0.12 -1.37 0.29 0.00 0.42 0.00 0.00 52.86 52.32 2k6y s ASN 24 Cb -0.10 -2.14 1.18 0.00 -1.45 0.00 0.00 41.25 38.74 2k6y s ASN 24 CO 0.02 -0.62 1.87 -0.81 -3.72 0.00 0.00 177.10 173.84 2k6y n PRO 25 N 5.14 0.18 -1.98 0.43 -0.04 -1.26 -1.17 135.00 136.30 2k6y n PRO 25 Ca -0.12 -0.03 -0.29 0.00 -0.04 0.00 0.00 63.50 63.02 2k6y n PRO 25 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.84 1.62 0.00 0.55 0.00 -1.26 -4.70 107.32 100.69 2k6y s GLY 26 Ca 0.18 -0.54 0.24 0.00 0.00 0.00 0.00 44.72 44.60 2k6y s GLY 26 CO 0.53 -0.14 1.70 1.22 0.00 0.00 0.00 173.10 176.41 2k6y n ASP 27 N -3.05 1.27 -4.73 1.64 9.92 -1.26 -2.43 116.55 117.91 2k6y n ASP 27 Ca 0.07 -1.54 -0.23 0.00 -0.53 0.00 0.00 54.79 52.57 2k6y n ASP 27 Cb 0.59 -0.05 -0.06 0.00 -0.64 0.00 0.00 41.12 40.96 2k6y n ASP 27 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2k6y s LEU 28 N -1.76 3.48 0.42 0.64 1.43 -1.26 -4.83 118.68 116.79 2k6y s LEU 28 Ca 0.35 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.84 2k6y s LEU 28 Cb 0.19 -2.01 -0.09 0.00 0.03 0.00 0.00 46.19 44.30 2k6y s LEU 28 CO 0.29 -0.01 0.87 -2.16 0.23 0.00 0.00 176.35 175.57 2k6y s PRO 29 N -3.68 4.01 -0.41 1.29 0.04 -1.26 -3.85 135.00 131.14 2k6y s PRO 29 Ca 0.32 0.83 -0.10 0.00 0.04 0.00 0.00 61.00 62.09 2k6y s PRO 29 Cb -0.07 -2.28 0.06 0.00 0.04 0.00 0.00 34.50 32.25 2k6y s PRO 29 CO 0.22 -0.04 0.24 -0.51 0.04 0.00 0.00 177.00 176.95 2k6y s LEU 30 N -3.48 5.01 -0.37 -3.56 1.43 -0.08 -4.97 118.68 112.67 2k6y s LEU 30 Ca 0.57 -1.35 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 2k6y s LEU 30 Cb -0.10 -2.00 0.02 0.00 0.03 0.00 0.00 46.19 44.14 2k6y s LEU 30 CO 0.22 -0.49 0.97 -0.60 0.23 0.00 0.00 176.35 176.68 2k6y s ARG 31 N 1.47 3.86 -0.18 1.70 6.06 -1.26 -0.61 118.95 129.97 2k6y s ARG 31 Ca 0.02 0.64 -0.07 0.00 -2.50 0.00 0.00 55.73 53.83 2k6y s ARG 31 Cb -0.22 -3.81 -0.04 0.00 0.06 0.00 0.00 34.95 30.95 2k6y s ARG 31 CO 0.03 -0.99 0.04 -1.17 -2.50 0.00 0.00 175.30 170.72 2k6y s LEU 32 N 3.60 3.65 0.00 -0.88 1.98 0.00 -0.71 118.68 126.32 2k6y s LEU 32 Ca 0.40 0.00 0.05 0.00 -2.89 0.00 0.00 54.13 51.69 2k6y s LEU 32 Cb -0.11 -1.92 -0.03 0.00 0.66 0.00 0.00 46.19 44.79 2k6y s LEU 32 CO 0.20 0.15 0.29 1.33 -1.89 0.00 0.00 176.35 176.43 2k6y n VAL 33 N 3.70 0.00 -3.27 1.68 0.24 0.94 -0.57 118.33 121.05 2k6y n VAL 33 Ca -0.17 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.72 2k6y n VAL 33 Cb 0.52 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.92 -0.53 3.58 7.63 0.00 -1.12 -4.77 105.19 110.90 2k6y n GLY 34 Ca 0.01 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 0.01 -0.09 4.61 0.00 -1.26 -1.71 121.76 122.32 2k6y s ALA 35 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.84 2k6y s ALA 35 Cb 0.00 1.06 0.03 0.00 0.00 0.00 0.00 23.12 24.21 2k6y s ALA 35 CO 0.00 -0.85 0.22 1.03 0.00 0.00 0.00 175.76 176.16 2k6y s ARG 36 N -3.59 0.22 -0.07 0.00 0.52 -0.77 -4.92 118.95 110.34 2k6y s ARG 36 Ca 0.24 0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 55.73 2k6y s ARG 36 Cb -0.01 0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.50 2k6y s ARG 36 CO 0.12 -0.09 0.25 -0.08 0.02 0.00 0.00 175.30 175.53 2k6y s THR 37 N 0.59 0.02 0.14 0.02 -1.32 -1.26 -0.86 115.64 112.96 2k6y s THR 37 Ca -0.04 -0.17 0.30 0.00 -1.21 0.00 0.00 61.69 60.57 2k6y s THR 37 Cb -0.05 -0.41 0.33 0.00 -1.51 0.00 0.00 72.50 70.85 2k6y s THR 37 CO -0.03 -0.09 1.94 1.55 -2.21 0.00 0.00 174.62 175.77 2k6y h PRO 38 N 5.24 0.00 -0.15 7.08 0.13 -1.98 -2.36 132.00 139.96 2k6y h PRO 38 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2k6y h PRO 38 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k6y h PRO 38 CO 0.36 0.09 0.00 1.33 -0.23 0.00 0.00 178.00 179.55 2k6y n VAL 39 N -3.23 0.00 -3.96 1.56 0.24 -1.26 -2.70 118.33 108.98 2k6y n VAL 39 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.34 62.19 2k6y n VAL 39 Cb 0.34 -0.12 -0.12 0.00 -1.47 0.00 0.00 33.84 32.47 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 -1.83 0.13 0.00 2.33 0.00 -0.89 -4.32 121.76 117.19 2k6y s ALA 40 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2k6y s ALA 40 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.19 2k6y s ALA 40 CO 0.00 -0.07 0.00 -1.91 0.00 0.00 0.00 175.76 173.78 2k6y n GLU 41 N 2.22 0.00 -2.70 0.00 4.07 -0.79 -4.25 120.64 119.19 2k6y n GLU 41 Ca -0.19 0.00 -0.35 0.00 -0.06 0.00 0.00 57.16 56.56 2k6y n GLU 41 Cb 0.57 -0.22 -0.06 0.00 -0.06 0.00 0.00 31.44 31.68 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 0.00 4.23 -0.02 5.31 3.52 -1.04 -4.96 118.95 126.00 2k6y s ARG 42 Ca 0.00 1.31 -0.03 0.00 -0.13 0.00 0.00 55.73 56.88 2k6y s ARG 42 Cb 0.00 -2.41 0.00 0.00 -1.56 0.00 0.00 34.95 30.98 2k6y s ARG 42 CO 0.00 -0.04 0.07 0.54 -0.81 0.00 0.00 175.30 175.06 2k6y s VAL 43 N -1.88 0.03 -0.01 7.11 0.11 -1.26 -0.75 120.40 123.76 2k6y s VAL 43 Ca 0.59 -0.29 0.00 0.00 -2.93 0.00 0.00 61.98 59.35 2k6y s VAL 43 Cb -0.16 -0.20 0.01 0.00 -1.53 0.00 0.00 36.38 34.50 2k6y s VAL 43 CO 0.20 -0.16 0.01 -1.61 -3.33 0.00 0.00 175.10 170.21 2k6y s GLU 44 N -0.48 0.00 -0.21 1.54 2.02 -0.35 -4.96 118.70 116.27 2k6y s GLU 44 Ca -0.05 0.04 -0.23 0.00 0.02 0.00 0.00 54.97 54.75 2k6y s GLU 44 Cb -0.04 -0.08 -0.01 0.00 0.10 0.00 0.00 34.13 34.10 2k6y s GLU 44 CO 0.00 -0.04 0.75 -1.17 0.02 0.00 0.00 175.26 174.82 2k6y s LEU 45 N 0.27 4.12 0.16 1.80 0.20 -1.26 -0.49 118.68 123.48 2k6y s LEU 45 Ca -0.02 0.98 0.07 0.00 0.69 0.00 0.00 54.13 55.84 2k6y s LEU 45 Cb -0.03 -3.08 -0.04 0.00 -0.43 0.00 0.00 46.19 42.61 2k6y s LEU 45 CO -0.01 -0.40 0.01 -1.00 -0.29 0.00 0.00 176.35 174.67 2k6y s HIS 46 N 2.35 2.90 0.59 5.38 3.76 -0.23 -1.29 115.29 128.76 2k6y s HIS 46 Ca 0.33 -0.10 -0.01 0.00 -0.15 0.00 0.00 55.06 55.12 2k6y s HIS 46 Cb -0.16 -1.42 0.04 0.00 1.11 0.00 0.00 32.58 32.15 2k6y s HIS 46 CO 0.10 0.51 0.84 -1.83 -0.85 0.00 0.00 174.74 173.51 2k6y s GLU 47 N -2.82 2.46 -0.18 1.40 -1.05 0.11 -1.23 118.70 117.40 2k6y s GLU 47 Ca 0.27 -0.60 -0.09 0.00 -0.15 0.00 0.00 54.97 54.40 2k6y s GLU 47 Cb -0.10 -2.39 0.07 0.00 -0.44 0.00 0.00 34.13 31.26 2k6y s GLU 47 CO 0.19 -0.85 0.43 0.99 0.95 0.00 0.00 175.26 176.96 2k6y s THR 48 N -2.90 -0.13 0.18 1.83 2.01 0.16 -2.99 115.64 113.80 2k6y s THR 48 Ca 0.58 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.64 2k6y s THR 48 Cb -0.10 -0.64 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2k6y s THR 48 CO 0.40 0.04 0.18 0.72 -0.69 0.00 0.00 174.62 175.27 2k6y s PHE 49 N 1.63 0.87 0.06 4.92 -0.12 -0.18 -2.64 117.98 122.51 2k6y s PHE 49 Ca -0.08 -1.17 0.02 0.00 -0.05 0.00 0.00 56.93 55.65 2k6y s PHE 49 Cb -0.09 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 2k6y s PHE 49 CO -0.13 -0.67 0.07 0.00 -0.05 0.00 0.00 175.22 174.44 2k6y s MET 50 N -4.09 2.90 0.17 1.99 0.00 -1.26 -1.65 119.30 117.36 2k6y s MET 50 Ca 0.30 -0.65 -0.24 0.00 0.00 0.00 0.00 55.69 55.10 2k6y s MET 50 Cb 0.06 -2.74 0.06 0.00 0.00 0.00 0.00 34.83 32.20 2k6y s MET 50 CO 0.07 0.58 0.74 1.03 0.00 0.00 0.00 175.02 177.44 2k6y s ARG 51 N -2.23 1.35 0.07 3.16 0.52 -0.31 -4.98 118.95 116.54 2k6y s ARG 51 Ca 0.28 -0.63 -0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2k6y s ARG 51 Cb -0.12 0.54 -0.04 0.00 0.52 0.00 0.00 34.95 35.84 2k6y s ARG 51 CO 0.20 -0.61 0.24 -1.21 0.02 0.00 0.00 175.30 173.95 2k6y s GLU 52 N -3.63 3.48 0.00 3.54 8.01 -1.26 -0.46 118.70 128.38 2k6y s GLU 52 Ca 0.06 -0.35 0.00 0.00 0.01 0.00 0.00 54.97 54.69 2k6y s GLU 52 Cb -0.03 -3.00 0.00 0.00 -4.31 0.00 0.00 34.13 26.79 2k6y s GLU 52 CO -0.04 0.58 0.00 0.28 0.01 0.00 0.00 175.26 176.09 2k6y n VAL 53 N 0.30 0.00 -0.50 2.63 0.31 -0.96 -4.90 118.33 115.20 2k6y n VAL 53 Ca -0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.26 2k6y n VAL 53 Cb 0.51 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.41 2k6y n VAL 53 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2k6y n GLU 54 N 0.00 1.00 -0.07 5.55 0.00 -1.26 -4.60 120.64 121.27 2k6y n GLU 54 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 57.16 56.99 2k6y n GLU 54 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 31.44 30.19 2k6y n GLU 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k6y n GLY 55 N 1.78 1.50 3.85 8.31 0.00 -1.26 -4.99 105.19 114.38 2k6y n GLY 55 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.04 3.98 0.23 1.61 -0.14 -1.26 -5.03 119.74 119.09 2k6y s LYS 56 Ca 0.00 0.55 -0.30 0.00 -1.36 0.00 0.00 55.97 54.86 2k6y s LYS 56 Cb 0.00 -2.67 -0.10 0.00 -1.68 0.00 0.00 37.83 33.38 2k6y s LYS 56 CO 0.00 0.31 1.44 0.15 -0.76 0.00 0.00 175.35 176.49 2k6y s LYS 57 N -2.55 4.27 0.05 1.68 -0.14 -1.26 -2.26 119.74 119.52 2k6y s LYS 57 Ca 0.47 2.29 0.01 0.00 -1.36 0.00 0.00 55.97 57.38 2k6y s LYS 57 Cb -0.13 -3.12 -0.03 0.00 -1.68 0.00 0.00 37.83 32.87 2k6y s LYS 57 CO 0.19 -0.43 -0.06 0.08 -0.76 0.00 0.00 175.35 174.38 2k6y s VAL 58 N 0.13 0.43 -0.04 3.17 1.01 0.39 -4.95 120.40 120.54 2k6y s VAL 58 Ca 0.60 -1.34 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2k6y s VAL 58 Cb -0.42 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.03 2k6y s VAL 58 CO 0.42 -0.61 -0.01 0.00 0.00 0.00 0.00 175.10 174.89 2k6y s MET 59 N -2.41 2.84 0.32 2.72 0.23 -1.26 -1.16 119.30 120.58 2k6y s MET 59 Ca -0.04 -0.54 -0.12 0.00 -1.03 0.00 0.00 55.69 53.97 2k6y s MET 59 Cb -0.04 -2.69 0.02 0.00 -1.53 0.00 0.00 34.83 30.59 2k6y s MET 59 CO -0.03 0.66 0.61 0.20 -2.03 0.00 0.00 175.02 174.43 2k6y s GLY 60 N -1.22 0.68 0.18 3.16 0.00 -0.66 -5.00 107.32 104.46 2k6y s GLY 60 Ca 0.16 -0.95 -0.06 0.00 0.00 0.00 0.00 44.72 43.87 2k6y s GLY 60 CO 0.06 -0.56 0.24 1.06 0.00 0.00 0.00 173.10 173.90 2k6y s MET 61 N -3.19 1.19 -0.19 2.90 -1.94 -1.26 -1.01 119.30 115.80 2k6y s MET 61 Ca 0.21 -1.34 -0.32 0.00 -1.71 0.00 0.00 55.69 52.53 2k6y s MET 61 Cb -0.03 0.34 0.15 0.00 2.01 0.00 0.00 34.83 37.30 2k6y s MET 61 CO 0.13 -0.42 1.16 -0.98 -0.01 0.00 0.00 175.02 174.90 2k6y s ARG 62 N -4.04 0.36 0.43 2.03 1.70 -1.16 -4.99 118.95 113.28 2k6y s ARG 62 Ca 0.24 -0.02 -0.25 0.00 -0.47 0.00 0.00 55.73 55.24 2k6y s ARG 62 Cb 0.04 0.17 -0.08 0.00 -0.57 0.00 0.00 34.95 34.51 2k6y s ARG 62 CO 0.05 -0.14 1.26 -1.25 -1.08 0.00 0.00 175.30 174.14 2k6y s PRO 63 N -1.71 3.87 0.21 3.89 0.04 -1.26 -0.71 135.00 139.33 2k6y s PRO 63 Ca 0.06 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.25 2k6y s PRO 63 Cb -0.01 -2.64 -0.05 0.00 0.04 0.00 0.00 34.50 31.84 2k6y s PRO 63 CO -0.04 -0.54 -0.20 0.14 0.04 0.00 0.00 177.00 176.40 2k6y s VAL 64 N -1.33 2.16 -0.05 -0.36 -7.23 -0.41 -4.85 120.40 108.32 2k6y s VAL 64 Ca 0.59 -2.13 0.27 0.00 -1.81 0.00 0.00 61.98 58.90 2k6y s VAL 64 Cb -0.36 -2.08 0.31 0.00 0.56 0.00 0.00 36.38 34.81 2k6y s VAL 64 CO 0.45 -0.31 1.80 1.55 -0.31 0.00 0.00 175.10 178.27 2k6y h PRO 65 N 2.87 0.00 -2.03 4.82 0.13 -1.96 -3.44 132.00 132.39 2k6y h PRO 65 Ca -0.42 0.00 0.27 0.00 -0.87 0.00 0.00 66.00 64.98 2k6y h PRO 65 Cb 1.22 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 2k6y h PRO 65 CO 0.54 0.10 0.74 -0.59 -0.23 0.00 0.00 178.00 178.56 2k6y s PHE 66 N -3.48 -0.01 0.34 1.56 -0.12 -1.26 -4.81 117.98 110.19 2k6y s PHE 66 Ca 0.03 -0.20 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2k6y s PHE 66 Cb 0.08 0.60 -0.03 0.00 -0.63 0.00 0.00 43.02 43.04 2k6y s PHE 66 CO 0.62 -0.52 0.18 -1.17 -0.05 0.00 0.00 175.22 174.27 2k6y s LEU 67 N -3.31 1.78 0.24 -1.99 0.20 0.26 -5.01 118.68 110.86 2k6y s LEU 67 Ca 0.20 -1.63 -0.17 0.00 0.69 0.00 0.00 54.13 53.22 2k6y s LEU 67 Cb 0.01 0.19 0.01 0.00 -0.43 0.00 0.00 46.19 45.97 2k6y s LEU 67 CO 0.00 -0.93 0.58 -1.83 -0.29 0.00 0.00 176.35 173.88 2k6y s GLU 68 N -3.71 1.59 -0.04 1.98 -1.05 -1.26 -0.82 118.70 115.39 2k6y s GLU 68 Ca 0.34 -1.05 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 2k6y s GLU 68 Cb 0.04 0.54 0.02 0.00 -0.44 0.00 0.00 34.13 34.29 2k6y s GLU 68 CO 0.19 -0.69 -0.03 0.08 0.95 0.00 0.00 175.26 175.76 2k6y s VAL 69 N -3.94 0.43 0.80 1.83 1.01 0.22 -4.95 120.40 115.80 2k6y s VAL 69 Ca 0.15 -0.07 -0.11 0.00 0.00 0.00 0.00 61.98 61.95 2k6y s VAL 69 Cb -0.03 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.95 2k6y s VAL 69 CO 0.05 0.20 1.09 -2.16 0.00 0.00 0.00 175.10 174.28 2k6y s PRO 70 N 0.92 2.06 0.30 2.72 0.04 -1.26 -0.90 135.00 138.88 2k6y s PRO 70 Ca -0.11 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.49 2k6y s PRO 70 Cb -0.14 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 2k6y s PRO 70 CO -0.00 -1.69 1.55 -0.35 0.04 0.00 0.00 177.00 176.54 2k6y n PRO 71 N -3.52 2.61 -0.86 0.56 -0.04 -1.25 -2.14 135.00 130.37 2k6y n PRO 71 Ca 0.08 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.46 2k6y n PRO 71 Cb 0.55 -2.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 1.81 -0.72 -3.18 0.54 4.76 -0.32 -4.97 118.16 116.08 2k6y n LYS 72 Ca 0.08 0.18 -0.40 0.00 -2.87 0.00 0.00 58.31 55.30 2k6y n LYS 72 Cb 0.36 -4.08 -0.06 0.00 -1.84 0.00 0.00 35.03 29.41 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 2.04 -0.19 0.72 0.00 -0.91 -4.87 107.32 102.11 2k6y s GLY 73 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 44.72 44.29 2k6y s GLY 73 CO 0.00 1.22 0.09 1.09 0.00 0.00 0.00 173.10 175.49 2k6y s ARG 74 N 1.84 4.06 0.10 2.90 1.04 -1.26 -1.04 118.95 126.59 2k6y s ARG 74 Ca 0.26 -0.30 -0.16 0.00 -1.04 0.00 0.00 55.73 54.50 2k6y s ARG 74 Cb -0.16 -3.29 0.03 0.00 -2.04 0.00 0.00 34.95 29.50 2k6y s ARG 74 CO 0.10 0.28 0.39 0.14 -0.04 0.00 0.00 175.30 176.17 2k6y s VAL 75 N 0.36 0.07 0.00 4.99 -7.23 -0.08 -4.97 120.40 113.54 2k6y s VAL 75 Ca 0.05 -0.59 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 2k6y s VAL 75 Cb -0.12 -1.13 -0.03 0.00 0.56 0.00 0.00 36.38 35.67 2k6y s VAL 75 CO -0.01 -0.33 -0.19 -1.83 -0.31 0.00 0.00 175.10 172.43 2k6y s GLU 76 N -3.51 2.19 -0.91 4.82 4.04 -1.26 -1.05 118.70 123.02 2k6y s GLU 76 Ca 0.01 -0.89 -0.22 0.00 0.04 0.00 0.00 54.97 53.91 2k6y s GLU 76 Cb 0.01 -2.20 -0.13 0.00 0.02 0.00 0.00 34.13 31.83 2k6y s GLU 76 CO -0.10 0.57 1.93 1.28 -1.84 0.00 0.00 175.26 177.10 2k6y n LEU 77 N 1.98 3.82 -4.77 1.83 4.32 -0.31 -4.93 117.00 118.94 2k6y n LEU 77 Ca -0.16 -3.01 -0.40 0.00 -0.02 0.00 0.00 56.01 52.41 2k6y n LEU 77 Cb 0.52 -1.32 -0.00 0.00 -1.62 0.00 0.00 43.42 41.00 2k6y n LEU 77 CO 0.25 -0.78 1.07 -1.59 -1.22 0.00 0.00 177.39 175.12 2k6y s LYS 78 N 5.40 4.06 0.32 3.23 -2.85 -1.25 -4.29 119.74 124.36 2k6y s LYS 78 Ca 0.61 2.41 0.01 0.00 -1.00 0.00 0.00 55.97 57.99 2k6y s LYS 78 Cb 0.10 -2.90 0.54 0.00 -2.06 0.00 0.00 37.83 33.51 2k6y s LYS 78 CO 0.12 -0.51 1.96 -1.00 0.10 0.00 0.00 175.35 176.03 2k6y h PRO 79 N 2.91 0.97 -3.88 1.78 0.13 -1.94 0.12 132.00 132.10 2k6y h PRO 79 Ca -0.50 -0.06 -0.73 0.00 -0.87 0.00 0.00 66.00 63.84 2k6y h PRO 79 Cb 1.24 -0.22 -0.11 0.00 0.13 0.00 0.00 31.00 32.05 2k6y h PRO 79 CO 0.64 0.64 2.44 0.41 -0.23 0.00 0.00 178.00 181.90 2k6y n GLY 80 N -1.42 4.45 0.00 1.56 0.00 -1.26 -4.36 105.19 104.16 2k6y n GLY 80 Ca 0.10 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 3.51 -0.57 3.46 -0.02 0.00 -0.72 -4.96 105.19 105.90 2k6y n GLY 81 Ca 0.45 0.33 -0.17 0.00 0.00 0.00 0.00 46.02 46.63 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 -0.56 0.20 1.61 2.02 -0.05 -0.67 117.35 119.90 2k6y s TYR 82 Ca 0.00 0.98 -0.23 0.00 -0.37 0.00 0.00 57.07 57.45 2k6y s TYR 82 Cb 0.00 0.33 0.05 0.00 -0.40 0.00 0.00 41.96 41.94 2k6y s TYR 82 CO 0.00 -0.55 0.71 -3.38 -1.57 0.00 0.00 175.55 170.76 2k6y s HIS 83 N -1.14 -0.34 -0.41 2.71 -3.43 -0.36 -3.79 115.29 108.52 2k6y s HIS 83 Ca -0.11 0.02 -0.15 0.00 -0.80 0.00 0.00 55.06 54.02 2k6y s HIS 83 Cb -0.01 0.63 0.02 0.00 -1.43 0.00 0.00 32.58 31.79 2k6y s HIS 83 CO 0.08 -0.99 0.30 -0.06 -2.00 0.00 0.00 174.74 172.08 2k6y s PHE 84 N -3.73 3.24 -0.21 0.38 0.08 -0.67 -1.06 117.98 116.00 2k6y s PHE 84 Ca 0.07 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2k6y s PHE 84 Cb -0.03 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 2k6y s PHE 84 CO -0.03 -0.60 1.13 1.41 -0.10 0.00 0.00 175.22 177.03 2k6y s MET 85 N 1.67 4.23 -0.27 0.44 -2.45 0.36 -1.20 119.30 122.09 2k6y s MET 85 Ca 0.05 1.45 -0.11 0.00 -1.25 0.00 0.00 55.69 55.83 2k6y s MET 85 Cb -0.19 -3.69 -0.05 0.00 1.25 0.00 0.00 34.83 32.14 2k6y s MET 85 CO 0.10 -0.68 0.18 -0.51 1.05 0.00 0.00 175.02 175.16 2k6y s LEU 86 N 3.35 4.04 0.03 4.11 1.43 -0.28 -1.21 118.68 130.16 2k6y s LEU 86 Ca 0.48 0.02 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 2k6y s LEU 86 Cb -0.17 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 2k6y s LEU 86 CO 0.10 -0.02 -0.16 -0.76 0.23 0.00 0.00 176.35 175.73 2k6y s LEU 87 N 1.58 2.69 0.00 1.79 2.01 0.07 -2.04 118.68 124.77 2k6y s LEU 87 Ca 0.07 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.84 2k6y s LEU 87 Cb -0.15 -1.56 0.00 0.00 0.01 0.00 0.00 46.19 44.48 2k6y s LEU 87 CO 0.09 0.27 0.00 0.61 1.01 0.00 0.00 176.35 178.33 2k6y n GLY 88 N 1.61 1.73 0.69 -3.19 0.00 -1.24 -1.89 105.19 102.91 2k6y n GLY 88 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.38 -0.45 0.99 4.77 -1.26 -4.84 117.00 113.82 2k6y n LEU 89 Ca 0.00 0.30 0.07 0.00 -0.03 0.00 0.00 56.01 56.35 2k6y n LEU 89 Cb 0.00 -1.20 0.03 0.00 -2.33 0.00 0.00 43.42 39.92 2k6y n LEU 89 CO 0.00 -0.17 0.36 2.29 -1.33 0.00 0.00 177.39 178.54 2k6y n LYS 90 N 0.18 1.46 -3.84 3.23 2.85 -1.25 -4.68 118.16 116.11 2k6y n LYS 90 Ca 0.00 -1.05 -0.09 0.00 -1.05 0.00 0.00 58.31 56.12 2k6y n LYS 90 Cb 0.00 -1.25 -0.07 0.00 -0.65 0.00 0.00 35.03 33.06 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 -1.49 0.85 0.72 -1.58 1.70 -1.10 -4.98 118.95 113.08 2k6y s ARG 91 Ca 0.14 -0.92 -0.12 0.00 -0.47 0.00 0.00 55.73 54.37 2k6y s ARG 91 Cb 0.12 0.35 0.03 0.00 -0.57 0.00 0.00 34.95 34.88 2k6y s ARG 91 CO 0.27 -0.28 1.09 -1.25 -1.08 0.00 0.00 175.30 174.05 2k6y s PRO 92 N -3.77 2.58 -0.03 3.89 0.04 -1.26 -4.67 135.00 131.77 2k6y s PRO 92 Ca 0.04 1.17 0.05 0.00 0.04 0.00 0.00 61.00 62.30 2k6y s PRO 92 Cb 0.04 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.72 2k6y s PRO 92 CO -0.11 -1.39 0.96 1.28 0.04 0.00 0.00 177.00 177.78 2k6y n LEU 93 N -3.12 1.57 -4.61 -3.56 4.32 -1.26 -4.88 117.00 105.46 2k6y n LEU 93 Ca 0.09 -1.86 -0.31 0.00 -0.02 0.00 0.00 56.01 53.91 2k6y n LEU 93 Cb 0.53 -0.11 0.17 0.00 -1.62 0.00 0.00 43.42 42.38 2k6y n LEU 93 CO 0.52 0.45 0.53 2.29 -1.22 0.00 0.00 177.39 179.96 2k6y n LYS 94 N -0.62 -0.60 -1.68 3.23 0.00 -1.26 -4.72 118.16 112.51 2k6y n LYS 94 Ca 0.04 -0.12 -0.48 0.00 -0.00 0.00 0.00 58.31 57.76 2k6y n LYS 94 Cb 0.44 -2.27 -0.05 0.00 -0.00 0.00 0.00 35.03 33.15 2k6y n LYS 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k6y n ALA 95 N -4.22 1.00 -0.72 0.58 0.00 -1.26 -0.51 120.51 115.38 2k6y n ALA 95 Ca 0.10 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2k6y n ALA 95 Cb 0.53 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.48 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 4.28 0.58 3.78 0.00 0.00 -1.26 -5.08 105.19 107.49 2k6y n GLY 96 Ca 0.22 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.45 2.33 -0.12 1.61 0.41 0.33 -5.11 118.70 116.70 2k6y s GLU 97 Ca 0.00 0.98 0.01 0.00 -0.41 0.00 0.00 54.97 55.54 2k6y s GLU 97 Cb 0.00 -1.92 -0.02 0.00 -1.78 0.00 0.00 34.13 30.42 2k6y s GLU 97 CO 0.00 -1.54 -0.14 -1.21 -0.49 0.00 0.00 175.26 171.88 2k6y s GLU 98 N -4.99 3.26 -0.42 1.61 0.41 -1.26 -4.12 118.70 113.20 2k6y s GLU 98 Ca 0.60 -0.70 -0.07 0.00 -0.41 0.00 0.00 54.97 54.40 2k6y s GLU 98 Cb -0.16 -2.58 0.10 0.00 -1.78 0.00 0.00 34.13 29.71 2k6y s GLU 98 CO 0.56 0.26 0.24 0.08 -0.49 0.00 0.00 175.26 175.91 2k6y s VAL 99 N 0.22 3.83 0.51 2.63 1.01 -0.01 -4.95 120.40 123.64 2k6y s VAL 99 Ca -0.09 -1.70 -0.22 0.00 0.00 0.00 0.00 61.98 59.97 2k6y s VAL 99 Cb -0.15 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.71 2k6y s VAL 99 CO 0.05 -0.60 1.25 -1.83 0.00 0.00 0.00 175.10 173.97 2k6y s GLU 100 N 1.31 3.40 -0.19 2.72 -1.05 -1.26 -0.73 118.70 122.90 2k6y s GLU 100 Ca 0.05 1.98 -0.10 0.00 -0.15 0.00 0.00 54.97 56.75 2k6y s GLU 100 Cb -0.23 -2.29 0.07 0.00 -0.44 0.00 0.00 34.13 31.23 2k6y s GLU 100 CO -0.01 -0.90 0.45 -1.17 0.95 0.00 0.00 175.26 174.58 2k6y s LEU 101 N -3.36 -0.30 -0.54 1.83 0.20 0.01 -4.13 118.68 112.39 2k6y s LEU 101 Ca 0.69 1.00 -0.25 0.00 0.69 0.00 0.00 54.13 56.25 2k6y s LEU 101 Cb -0.34 1.50 0.04 0.00 -0.43 0.00 0.00 46.19 46.96 2k6y s LEU 101 CO 0.40 -0.21 0.99 -1.81 -0.29 0.00 0.00 176.35 175.44 2k6y s ASP 102 N 1.63 6.39 -0.19 3.68 1.01 -0.04 -0.46 116.67 128.69 2k6y s ASP 102 Ca -0.08 -0.17 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 2k6y s ASP 102 Cb -0.09 -2.46 -0.00 0.00 1.01 0.00 0.00 42.92 41.38 2k6y s ASP 102 CO -0.14 -1.25 1.12 -0.76 0.21 0.00 0.00 175.17 174.35 2k6y s LEU 103 N 4.13 4.15 -0.37 1.23 1.43 0.16 -1.85 118.68 127.56 2k6y s LEU 103 Ca 0.34 1.52 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 2k6y s LEU 103 Cb -0.11 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2k6y s LEU 103 CO 0.22 -0.68 0.25 -0.76 0.23 0.00 0.00 176.35 175.61 2k6y s LEU 104 N 3.16 4.75 0.09 1.79 1.43 -0.69 -1.90 118.68 127.31 2k6y s LEU 104 Ca 0.49 -0.69 0.06 0.00 -1.03 0.00 0.00 54.13 52.96 2k6y s LEU 104 Cb -0.18 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2k6y s LEU 104 CO 0.11 -0.33 -0.07 -0.36 0.23 0.00 0.00 176.35 175.92 2k6y s PHE 105 N 1.68 2.82 -0.02 0.29 0.08 -0.02 -0.04 117.98 122.77 2k6y s PHE 105 Ca 0.05 -0.11 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 2k6y s PHE 105 Cb -0.18 -1.48 -0.09 0.00 -0.57 0.00 0.00 43.02 40.70 2k6y s PHE 105 CO 0.10 0.44 1.98 0.00 -0.10 0.00 0.00 175.22 177.64 2k6y n ALA 106 N 0.73 1.44 -1.80 5.36 0.00 0.12 -3.49 120.51 122.86 2k6y n ALA 106 Ca -0.13 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 2k6y n ALA 106 Cb 0.52 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.31 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 4.67 -0.54 3.02 0.00 0.00 -1.26 -4.58 105.19 106.50 2k6y n GLY 107 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.03 1.72 3.73 -0.02 0.00 -1.24 -5.01 105.19 103.32 2k6y n GLY 108 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.01 4.40 -0.08 1.61 3.01 -1.23 -5.03 119.74 122.42 2k6y s LYS 109 Ca 0.00 0.78 -0.06 0.00 -1.01 0.00 0.00 55.97 55.68 2k6y s LYS 109 Cb 0.00 -3.43 0.03 0.00 -1.01 0.00 0.00 37.83 33.42 2k6y s LYS 109 CO 0.00 0.13 0.21 0.54 0.51 0.00 0.00 175.35 176.74 2k6y s VAL 110 N 0.59 -0.02 -0.13 3.17 0.11 -1.26 -0.84 120.40 122.02 2k6y s VAL 110 Ca 0.34 0.06 -0.02 0.00 -2.93 0.00 0.00 61.98 59.43 2k6y s VAL 110 Cb -0.17 -0.31 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2k6y s VAL 110 CO 0.17 0.02 0.01 -0.76 -3.33 0.00 0.00 175.10 171.21 2k6y s LEU 111 N 0.53 0.92 -0.21 2.54 1.43 -0.80 -4.96 118.68 118.14 2k6y s LEU 111 Ca -0.03 -0.46 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 2k6y s LEU 111 Cb -0.05 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.62 2k6y s LEU 111 CO -0.03 -0.24 1.19 -0.75 0.23 0.00 0.00 176.35 176.75 2k6y s LYS 112 N 1.90 4.20 0.38 1.70 2.20 -1.26 -0.67 119.74 128.19 2k6y s LYS 112 Ca 0.02 1.50 0.07 0.00 -0.36 0.00 0.00 55.97 57.20 2k6y s LYS 112 Cb -0.15 -3.73 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 2k6y s LYS 112 CO -0.07 -0.73 0.50 0.14 -0.36 0.00 0.00 175.35 174.83 2k6y s VAL 113 N 3.49 3.43 0.10 4.02 -7.23 0.39 -4.95 120.40 119.66 2k6y s VAL 113 Ca 0.51 -1.05 0.08 0.00 -1.81 0.00 0.00 61.98 59.71 2k6y s VAL 113 Cb -0.19 -3.17 -0.04 0.00 0.56 0.00 0.00 36.38 33.54 2k6y s VAL 113 CO 0.13 -0.07 -0.17 0.68 -0.31 0.00 0.00 175.10 175.36 2k6y s VAL 114 N -2.29 2.93 -0.11 1.32 -7.23 -1.26 -0.81 120.40 112.95 2k6y s VAL 114 Ca 0.50 -1.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2k6y s VAL 114 Cb -0.09 -2.33 0.05 0.00 0.56 0.00 0.00 36.38 34.57 2k6y s VAL 114 CO 0.31 0.13 0.25 -0.76 -0.31 0.00 0.00 175.10 174.73 2k6y s LEU 115 N -2.06 0.23 0.83 1.32 1.43 0.09 -4.95 118.68 115.58 2k6y s LEU 115 Ca 0.18 0.53 -0.11 0.00 -1.03 0.00 0.00 54.13 53.70 2k6y s LEU 115 Cb -0.11 0.71 0.09 0.00 0.03 0.00 0.00 46.19 46.91 2k6y s LEU 115 CO 0.10 -0.19 1.09 -2.16 0.23 0.00 0.00 176.35 175.43 2k6y s PRO 116 N 1.57 1.80 0.01 1.29 0.04 -1.26 -0.83 135.00 137.62 2k6y s PRO 116 Ca -0.06 0.94 -0.22 0.00 0.04 0.00 0.00 61.00 61.70 2k6y s PRO 116 Cb -0.11 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.52 2k6y s PRO 116 CO -0.08 -1.90 0.65 0.08 0.04 0.00 0.00 177.00 175.79 2k6y s VAL 117 N -2.95 4.85 0.33 -0.36 1.01 -1.26 -0.83 120.40 121.19 2k6y s VAL 117 Ca 0.62 1.36 0.09 0.00 0.00 0.00 0.00 61.98 64.05 2k6y s VAL 117 Cb -0.17 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 2k6y s VAL 117 CO 0.56 0.40 0.09 -0.70 0.00 0.00 0.00 175.10 175.45 2k6y s GLU 118 N -0.16 2.28 0.00 2.72 2.56 -1.15 -4.78 118.70 120.18 2k6y s GLU 118 Ca 0.33 -1.59 0.00 0.00 0.00 0.00 0.00 54.97 53.72 2k6y s GLU 118 Cb -0.19 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 33.84 2k6y s GLU 118 CO 0.19 0.15 0.00 0.00 -0.56 0.00 0.00 175.26 175.04 2k6y n ALA 119 N -1.06 0.00 -1.62 6.30 0.00 -1.26 -0.89 120.51 121.97 2k6y n ALA 119 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k6y n ALA 119 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 2k6y n ALA 119 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39