#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6z n SER 2 N 0.00 0.00 -3.78 1.61 3.41 -1.26 -5.21 113.62 108.39 2k6z n SER 2 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.51 2k6z n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2k6z n SER 2 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2k6z s PHE 3 N -2.00 0.03 -0.45 7.33 -0.71 -1.26 -5.10 117.98 115.82 2k6z s PHE 3 Ca 0.00 -0.40 0.07 0.00 -1.04 0.00 0.00 56.93 55.56 2k6z s PHE 3 Cb 0.00 0.12 0.25 0.00 -1.21 0.00 0.00 43.02 42.17 2k6z s PHE 3 CO 0.00 -0.68 0.56 2.41 -1.34 0.00 0.00 175.22 176.17 2k6z n THR 4 N -0.19 -0.05 -4.12 -4.49 -1.04 -1.26 -5.02 114.28 98.10 2k6z n THR 4 Ca -0.13 -4.25 -0.11 0.00 -2.04 0.00 0.00 64.05 57.52 2k6z n THR 4 Cb 0.63 -1.98 -0.08 0.00 -1.82 0.00 0.00 70.33 67.08 2k6z n THR 4 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2k6z s GLU 5 N -1.40 1.33 0.29 -2.82 2.02 -1.26 -4.89 118.70 111.97 2k6z s GLU 5 Ca 0.36 -1.49 -0.16 0.00 0.02 0.00 0.00 54.97 53.70 2k6z s GLU 5 Cb 0.16 0.35 0.02 0.00 0.10 0.00 0.00 34.13 34.75 2k6z s GLU 5 CO -0.09 -0.48 0.63 0.20 0.02 0.00 0.00 175.26 175.53 2k6z s GLY 6 N -3.11 0.35 0.14 -1.39 0.00 -1.26 -0.41 107.32 101.64 2k6z s GLY 6 Ca 0.33 -0.69 -0.20 0.00 0.00 0.00 0.00 44.72 44.15 2k6z s GLY 6 CO 0.11 -0.39 0.52 0.66 0.00 0.00 0.00 173.10 174.00 2k6z s TRP 7 N -3.58 -0.41 -0.02 1.90 -2.14 0.03 -4.10 118.94 110.62 2k6z s TRP 7 Ca 0.17 0.18 0.01 0.00 2.66 0.00 0.00 56.10 59.12 2k6z s TRP 7 Cb -0.04 0.43 -0.03 0.00 -3.10 0.00 0.00 33.47 30.73 2k6z s TRP 7 CO 0.10 -0.78 -0.01 0.08 -2.66 0.00 0.00 176.95 173.68 2k6z s VAL 8 N -3.66 4.13 -0.46 -0.66 1.01 0.07 -1.77 120.40 119.07 2k6z s VAL 8 Ca 0.01 -0.52 0.26 0.00 0.00 0.00 0.00 61.98 61.73 2k6z s VAL 8 Cb 0.00 -2.81 0.28 0.00 0.00 0.00 0.00 36.38 33.86 2k6z s VAL 8 CO -0.12 0.44 1.76 -0.09 0.00 0.00 0.00 175.10 177.10 2k6z h ARG 9 N 4.59 0.00 -2.72 2.72 1.12 -1.40 -0.21 114.38 118.47 2k6z h ARG 9 Ca -0.49 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.38 2k6z h ARG 9 Cb 1.18 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 2k6z h ARG 9 CO 0.56 0.00 -0.41 0.34 -3.11 0.00 0.00 179.97 177.35 2k6z n PHE 10 N -2.42 -2.08 -3.58 2.20 7.35 -1.13 -3.27 117.46 114.53 2k6z n PHE 10 Ca 0.03 1.25 -0.15 0.00 -0.76 0.00 0.00 57.45 57.82 2k6z n PHE 10 Cb 0.31 -2.75 -0.06 0.00 0.35 0.00 0.00 39.48 37.33 2k6z n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k6z s SER 11 N -0.23 -0.63 0.19 -2.13 0.01 -1.13 -4.82 113.70 104.96 2k6z s SER 11 Ca 0.00 0.95 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2k6z s SER 11 Cb 0.00 0.87 0.09 0.00 0.21 0.00 0.00 66.02 67.19 2k6z s SER 11 CO 0.00 -0.40 1.45 1.55 0.41 0.00 0.00 173.24 176.25 2k6z h PRO 12 N 3.77 0.26 0.00 12.44 0.13 -1.83 -3.10 132.00 143.67 2k6z h PRO 12 Ca -0.27 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k6z h PRO 12 Cb 1.15 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k6z h PRO 12 CO 0.23 0.90 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 2k6z n GLY 13 N 0.60 2.16 0.00 1.56 0.00 -1.26 -4.01 105.19 104.23 2k6z n GLY 13 Ca -0.03 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 44.61 2k6z n GLY 13 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k6z n PRO 14 N -1.56 0.74 -4.12 1.61 -0.04 -1.26 -5.00 135.00 125.36 2k6z n PRO 14 Ca 0.00 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.36 2k6z n PRO 14 Cb 0.00 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 31.88 2k6z n PRO 14 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k6z s ASN 15 N -2.13 0.08 0.35 3.54 2.20 -1.26 -1.03 114.94 116.70 2k6z s ASN 15 Ca 0.37 -1.21 -0.07 0.00 -0.94 0.00 0.00 52.86 51.01 2k6z s ASN 15 Cb 0.18 0.44 0.02 0.00 -2.00 0.00 0.00 41.25 39.89 2k6z s ASN 15 CO 0.33 -0.93 0.58 0.00 -2.94 0.00 0.00 177.10 174.15 2k6z s ALA 16 N -4.10 0.22 0.21 3.54 0.00 -0.29 -4.68 121.76 116.66 2k6z s ALA 16 Ca 0.32 -1.23 0.02 0.00 0.00 0.00 0.00 51.96 51.07 2k6z s ALA 16 Cb 0.05 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 24.11 2k6z s ALA 16 CO 0.10 -0.86 0.03 0.00 0.00 0.00 0.00 175.76 175.02 2k6z s ALA 17 N -2.84 1.59 0.04 0.00 0.00 -1.26 -0.63 121.76 118.66 2k6z s ALA 17 Ca 0.25 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.31 2k6z s ALA 17 Cb -0.02 0.67 0.04 0.00 0.00 0.00 0.00 23.12 23.80 2k6z s ALA 17 CO 0.17 -0.34 0.42 0.00 0.00 0.00 0.00 175.76 176.01 2k6z s ALA 18 N -3.61 -1.02 -0.02 0.00 0.00 -0.33 -1.46 121.76 115.31 2k6z s ALA 18 Ca 0.29 0.34 0.00 0.00 0.00 0.00 0.00 51.96 52.59 2k6z s ALA 18 Cb 0.06 0.33 0.02 0.00 0.00 0.00 0.00 23.12 23.54 2k6z s ALA 18 CO 0.08 -0.45 0.01 0.71 0.00 0.00 0.00 175.76 176.12 2k6z s TYR 19 N -2.39 0.12 0.13 0.00 1.51 -0.73 -1.55 117.35 114.44 2k6z s TYR 19 Ca -0.06 0.07 -0.11 0.00 -1.01 0.00 0.00 57.07 55.96 2k6z s TYR 19 Cb -0.01 -0.25 0.01 0.00 -0.11 0.00 0.00 41.96 41.59 2k6z s TYR 19 CO -0.02 -0.08 0.30 -0.48 -1.11 0.00 0.00 175.55 174.16 2k6z s LEU 20 N 0.85 0.93 -0.14 -1.29 -0.00 -1.26 -0.79 118.68 116.98 2k6z s LEU 20 Ca -0.08 -0.66 -0.21 0.00 -0.00 0.00 0.00 54.13 53.19 2k6z s LEU 20 Cb -0.11 1.35 -0.03 0.00 -0.00 0.00 0.00 46.19 47.40 2k6z s LEU 20 CO -0.02 -0.85 0.61 -0.89 -0.00 0.00 0.00 176.35 175.21 2k6z s THR 21 N -3.89 5.07 -0.20 5.48 2.01 0.45 -1.39 115.64 123.17 2k6z s THR 21 Ca 0.10 1.21 -0.07 0.00 0.31 0.00 0.00 61.69 63.23 2k6z s THR 21 Cb 0.03 -3.94 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2k6z s THR 21 CO -0.06 0.21 0.06 -0.22 -0.69 0.00 0.00 174.62 173.92 2k6z s LEU 22 N 1.25 3.70 -0.03 4.42 2.96 0.09 -4.66 118.68 126.42 2k6z s LEU 22 Ca 0.31 0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2k6z s LEU 22 Cb -0.16 -1.95 0.02 0.00 0.50 0.00 0.00 46.19 44.60 2k6z s LEU 22 CO 0.13 0.12 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.54 2k6z s GLU 23 N 0.68 0.55 -0.49 1.98 2.12 -1.26 -0.40 118.70 121.88 2k6z s GLU 23 Ca 0.03 -0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 2k6z s GLU 23 Cb -0.13 -0.60 0.11 0.00 0.26 0.00 0.00 34.13 33.77 2k6z s GLU 23 CO 0.02 -0.04 0.39 1.21 -0.54 0.00 0.00 175.26 176.30 2k6z s ASN 24 N 0.63 5.91 0.01 -1.70 2.47 -0.20 -4.95 114.94 117.12 2k6z s ASN 24 Ca -0.07 -1.75 0.23 0.00 0.42 0.00 0.00 52.86 51.68 2k6z s ASN 24 Cb -0.11 -2.10 0.98 0.00 -1.45 0.00 0.00 41.25 38.57 2k6z s ASN 24 CO -0.00 -0.73 1.74 -0.81 -3.72 0.00 0.00 177.10 173.58 2k6z n PRO 25 N 5.06 0.01 -2.21 0.43 -0.04 -1.26 -1.22 135.00 135.77 2k6z n PRO 25 Ca -0.11 0.11 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 2k6z n PRO 25 Cb 0.41 -1.51 0.15 0.00 -0.04 0.00 0.00 33.50 32.50 2k6z n PRO 25 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k6z s GLY 26 N -3.02 1.76 0.00 0.55 0.00 -1.26 -4.73 107.32 100.62 2k6z s GLY 26 Ca 0.11 -1.39 0.17 0.00 0.00 0.00 0.00 44.72 43.62 2k6z s GLY 26 CO 0.42 -0.72 0.88 1.22 0.00 0.00 0.00 173.10 174.91 2k6z n ASP 27 N -3.34 1.62 -4.48 1.64 8.00 -1.26 -2.62 116.55 116.11 2k6z n ASP 27 Ca 0.15 -1.31 -0.24 0.00 0.71 0.00 0.00 54.79 54.09 2k6z n ASP 27 Cb 0.60 0.52 -0.10 0.00 -0.02 0.00 0.00 41.12 42.12 2k6z n ASP 27 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k6z s LEU 28 N -2.20 2.62 0.42 0.64 1.43 -1.26 -4.80 118.68 115.53 2k6z s LEU 28 Ca 0.14 -1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 52.00 2k6z s LEU 28 Cb 0.14 -1.05 -0.09 0.00 0.03 0.00 0.00 46.19 45.22 2k6z s LEU 28 CO 0.47 -0.03 0.87 -2.16 0.23 0.00 0.00 176.35 175.72 2k6z s PRO 29 N -3.54 4.01 0.08 1.29 0.04 -1.26 -4.22 135.00 131.40 2k6z s PRO 29 Ca 0.30 0.83 0.03 0.00 0.04 0.00 0.00 61.00 62.20 2k6z s PRO 29 Cb -0.03 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2k6z s PRO 29 CO 0.15 -0.04 0.09 -0.51 0.04 0.00 0.00 177.00 176.73 2k6z s LEU 30 N -3.47 3.86 -0.08 -3.56 1.02 -0.31 -4.97 118.68 111.16 2k6z s LEU 30 Ca 0.57 0.02 -0.03 0.00 0.02 0.00 0.00 54.13 54.71 2k6z s LEU 30 Cb -0.10 -2.52 0.04 0.00 0.02 0.00 0.00 46.19 43.63 2k6z s LEU 30 CO 0.22 0.18 0.07 -0.60 0.02 0.00 0.00 176.35 176.23 2k6z s ARG 31 N -2.38 -0.01 -0.35 1.70 3.52 -1.26 -0.46 118.95 119.70 2k6z s ARG 31 Ca 0.30 0.22 -0.18 0.00 -0.13 0.00 0.00 55.73 55.93 2k6z s ARG 31 Cb -0.12 -0.96 -0.00 0.00 -1.56 0.00 0.00 34.95 32.30 2k6z s ARG 31 CO 0.22 -0.44 0.53 -1.17 -0.81 0.00 0.00 175.30 173.63 2k6z s LEU 32 N 2.15 4.34 -0.10 -0.88 1.98 0.37 -0.98 118.68 125.56 2k6z s LEU 32 Ca 0.04 -0.01 0.16 0.00 -2.89 0.00 0.00 54.13 51.44 2k6z s LEU 32 Cb -0.13 -2.61 -0.24 0.00 0.66 0.00 0.00 46.19 43.86 2k6z s LEU 32 CO -0.05 -0.50 0.22 1.33 -1.89 0.00 0.00 176.35 175.46 2k6z n VAL 33 N 5.45 0.61 -3.52 1.68 0.24 0.34 -0.30 118.33 122.83 2k6z n VAL 33 Ca -0.04 -0.57 -0.04 0.00 -2.04 0.00 0.00 64.34 61.64 2k6z n VAL 33 Cb 0.49 -0.26 0.02 0.00 -1.47 0.00 0.00 33.84 32.62 2k6z n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k6z n GLY 34 N 1.74 1.28 3.68 7.63 0.00 -1.17 -4.62 105.19 113.72 2k6z n GLY 34 Ca -0.16 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 2k6z n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6z s ALA 35 N -1.63 3.70 -0.08 4.61 0.00 -1.26 -1.32 121.76 125.78 2k6z s ALA 35 Ca 0.10 -0.68 -0.25 0.00 0.00 0.00 0.00 51.96 51.13 2k6z s ALA 35 Cb -0.03 0.28 0.06 0.00 0.00 0.00 0.00 23.12 23.43 2k6z s ALA 35 CO 0.06 -0.13 0.58 0.50 0.00 0.00 0.00 175.76 176.77 2k6z s ARG 36 N -3.81 0.90 -0.02 0.00 3.52 -0.43 -4.83 118.95 114.28 2k6z s ARG 36 Ca 0.12 0.30 -0.29 0.00 -0.13 0.00 0.00 55.73 55.73 2k6z s ARG 36 Cb 0.02 0.42 0.07 0.00 -1.56 0.00 0.00 34.95 33.90 2k6z s ARG 36 CO 0.07 -0.24 0.65 -0.08 -0.81 0.00 0.00 175.30 174.89 2k6z s THR 37 N -0.87 0.00 -2.00 4.11 -1.32 -1.26 -0.23 115.64 114.07 2k6z s THR 37 Ca -0.09 -0.02 0.24 0.00 -1.21 0.00 0.00 61.69 60.61 2k6z s THR 37 Cb -0.02 -0.99 0.68 0.00 -1.51 0.00 0.00 72.50 70.66 2k6z s THR 37 CO 0.07 -0.01 1.81 -0.81 -2.21 0.00 0.00 174.62 173.47 2k6z n PRO 38 N 0.72 0.80 -0.51 7.08 -0.04 -1.26 -3.75 135.00 138.03 2k6z n PRO 38 Ca -0.19 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.34 2k6z n PRO 38 Cb 0.58 -1.47 0.20 0.00 -0.04 0.00 0.00 33.50 32.77 2k6z n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k6z n VAL 39 N -0.97 2.15 -3.62 0.52 0.24 -1.26 -4.60 118.33 110.79 2k6z n VAL 39 Ca 0.18 -3.08 -0.15 0.00 -2.04 0.00 0.00 64.34 59.25 2k6z n VAL 39 Cb 0.08 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.14 2k6z n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k6z s ALA 40 N -3.17 -1.62 0.23 2.33 0.00 -1.25 -3.15 121.76 115.13 2k6z s ALA 40 Ca 0.37 1.63 -0.05 0.00 0.00 0.00 0.00 51.96 53.91 2k6z s ALA 40 Cb 0.35 -0.73 0.22 0.00 0.00 0.00 0.00 23.12 22.96 2k6z s ALA 40 CO -0.05 -0.32 1.73 1.49 0.00 0.00 0.00 175.76 178.61 2k6z h GLU 41 N 4.49 0.97 -2.92 0.00 4.57 -0.02 -3.45 114.58 118.21 2k6z h GLU 41 Ca -0.28 -0.25 -0.13 0.00 -1.18 0.00 0.00 59.36 57.52 2k6z h GLU 41 Cb 1.16 -0.12 -0.23 0.00 -0.16 0.00 0.00 28.75 29.41 2k6z h GLU 41 CO 0.18 0.91 -0.28 0.50 -1.18 0.00 0.00 179.01 179.14 2k6z s ARG 42 N -5.13 0.53 -0.08 1.92 3.52 -1.06 -5.06 118.95 113.59 2k6z s ARG 42 Ca -0.11 0.20 0.05 0.00 -0.13 0.00 0.00 55.73 55.74 2k6z s ARG 42 Cb 0.15 0.25 -0.01 0.00 -1.56 0.00 0.00 34.95 33.78 2k6z s ARG 42 CO 0.83 -0.11 -0.24 0.54 -0.81 0.00 0.00 175.30 175.51 2k6z s VAL 43 N -0.48 2.11 0.43 7.11 0.11 -1.26 -1.11 120.40 127.31 2k6z s VAL 43 Ca -0.06 -1.02 0.05 0.00 -2.93 0.00 0.00 61.98 58.02 2k6z s VAL 43 Cb -0.04 -1.79 0.01 0.00 -1.53 0.00 0.00 36.38 33.04 2k6z s VAL 43 CO 0.02 0.56 0.60 -1.61 -3.33 0.00 0.00 175.10 171.35 2k6z s GLU 44 N 0.09 2.87 -0.04 1.54 0.41 0.05 -4.78 118.70 118.84 2k6z s GLU 44 Ca -0.11 -0.98 0.07 0.00 -0.41 0.00 0.00 54.97 53.54 2k6z s GLU 44 Cb -0.16 -2.69 -0.02 0.00 -1.78 0.00 0.00 34.13 29.49 2k6z s GLU 44 CO 0.06 -0.28 -0.25 -0.48 -0.49 0.00 0.00 175.26 173.83 2k6z s LEU 45 N -4.42 2.11 0.17 1.80 2.34 -1.26 -0.91 118.68 118.50 2k6z s LEU 45 Ca 0.52 -0.48 0.10 0.00 0.06 0.00 0.00 54.13 54.34 2k6z s LEU 45 Cb -0.10 -1.37 -0.04 0.00 -0.56 0.00 0.00 46.19 44.11 2k6z s LEU 45 CO 0.34 0.28 -0.23 -1.00 -1.06 0.00 0.00 176.35 174.68 2k6z s HIS 46 N -0.35 2.16 0.37 3.48 3.76 -0.05 -0.97 115.29 123.68 2k6z s HIS 46 Ca 0.02 -0.39 -0.05 0.00 -0.15 0.00 0.00 55.06 54.50 2k6z s HIS 46 Cb -0.12 -1.09 -0.05 0.00 1.11 0.00 0.00 32.58 32.44 2k6z s HIS 46 CO 0.02 0.43 0.65 -1.83 -0.85 0.00 0.00 174.74 173.16 2k6z s GLU 47 N -2.58 3.60 -0.07 1.40 -1.05 -0.12 -0.60 118.70 119.26 2k6z s GLU 47 Ca 0.18 0.06 -0.00 0.00 -0.15 0.00 0.00 54.97 55.06 2k6z s GLU 47 Cb -0.08 -2.53 -0.03 0.00 -0.44 0.00 0.00 34.13 31.05 2k6z s GLU 47 CO 0.08 0.04 -0.04 0.99 0.95 0.00 0.00 175.26 177.29 2k6z s THR 48 N -2.36 3.97 0.21 1.83 2.01 -0.35 -2.10 115.64 118.84 2k6z s THR 48 Ca 0.45 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.07 2k6z s THR 48 Cb -0.10 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 2k6z s THR 48 CO 0.36 0.60 0.07 0.72 -0.69 0.00 0.00 174.62 175.67 2k6z s PHE 49 N -0.85 1.31 -0.01 4.92 -0.12 -0.00 -4.59 117.98 118.63 2k6z s PHE 49 Ca 0.13 -1.18 0.04 0.00 -0.05 0.00 0.00 56.93 55.87 2k6z s PHE 49 Cb -0.11 -0.74 -0.03 0.00 -0.63 0.00 0.00 43.02 41.51 2k6z s PHE 49 CO 0.02 -0.38 -0.12 -1.64 -0.05 0.00 0.00 175.22 173.05 2k6z s MET 50 N -4.03 2.43 0.01 1.99 -1.94 -1.26 -1.54 119.30 114.96 2k6z s MET 50 Ca 0.33 -0.76 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 2k6z s MET 50 Cb 0.07 -2.39 -0.01 0.00 2.01 0.00 0.00 34.83 34.51 2k6z s MET 50 CO 0.09 0.60 -0.07 1.03 -0.01 0.00 0.00 175.02 176.66 2k6z s ARG 51 N -1.17 0.56 0.08 2.03 0.52 -0.24 -4.96 118.95 115.76 2k6z s ARG 51 Ca 0.14 -0.42 -0.15 0.00 -0.52 0.00 0.00 55.73 54.78 2k6z s ARG 51 Cb -0.11 -0.48 -0.06 0.00 0.52 0.00 0.00 34.95 34.81 2k6z s ARG 51 CO 0.04 0.12 0.50 -2.00 0.02 0.00 0.00 175.30 173.99 2k6z s GLU 52 N -0.63 4.00 -0.06 3.54 2.56 -1.26 -0.40 118.70 126.44 2k6z s GLU 52 Ca -0.01 0.50 -0.02 0.00 0.00 0.00 0.00 54.97 55.44 2k6z s GLU 52 Cb -0.05 -3.10 0.03 0.00 2.00 0.00 0.00 34.13 33.01 2k6z s GLU 52 CO 0.00 0.59 0.05 0.08 -0.56 0.00 0.00 175.26 175.42 2k6z s VAL 53 N -1.26 0.02 -1.70 3.70 1.01 0.14 -4.87 120.40 117.44 2k6z s VAL 53 Ca 0.31 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.56 2k6z s VAL 53 Cb -0.17 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2k6z s VAL 53 CO 0.17 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.79 2k6z n GLU 54 N 5.26 -1.13 -0.77 2.72 1.02 -1.26 -0.92 120.64 125.55 2k6z n GLU 54 Ca -0.04 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2k6z n GLU 54 Cb 0.50 -5.25 0.00 0.00 -0.02 0.00 0.00 31.44 26.67 2k6z n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k6z n GLY 55 N -0.98 0.76 3.40 0.62 0.00 -1.26 -5.03 105.19 102.70 2k6z n GLY 55 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 2k6z n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6z s LYS 56 N -0.23 2.97 -0.30 1.61 1.02 -0.10 -5.07 119.74 119.65 2k6z s LYS 56 Ca 0.00 -0.99 -0.22 0.00 0.02 0.00 0.00 55.97 54.78 2k6z s LYS 56 Cb 0.00 -3.73 -0.00 0.00 -0.52 0.00 0.00 37.83 33.57 2k6z s LYS 56 CO 0.00 -0.64 0.74 -1.59 -0.92 0.00 0.00 175.35 172.94 2k6z s LYS 57 N 1.59 3.98 -0.07 1.68 -2.85 -1.26 -0.68 119.74 122.12 2k6z s LYS 57 Ca 0.03 0.54 -0.06 0.00 -1.00 0.00 0.00 55.97 55.48 2k6z s LYS 57 Cb -0.19 -3.71 0.02 0.00 -2.06 0.00 0.00 37.83 31.89 2k6z s LYS 57 CO 0.07 -0.62 0.19 0.08 0.10 0.00 0.00 175.35 175.17 2k6z s VAL 58 N 2.82 -0.00 0.37 1.79 1.01 0.46 -5.00 120.40 121.85 2k6z s VAL 58 Ca 0.30 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.36 2k6z s VAL 58 Cb -0.15 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2k6z s VAL 58 CO 0.12 0.00 0.47 -0.04 0.00 0.00 0.00 175.10 175.65 2k6z s MET 59 N 0.11 2.95 0.31 2.72 -1.94 -1.26 -1.08 119.30 121.11 2k6z s MET 59 Ca -0.00 -1.15 -0.08 0.00 -1.71 0.00 0.00 55.69 52.75 2k6z s MET 59 Cb -0.01 -2.74 0.03 0.00 2.01 0.00 0.00 34.83 34.12 2k6z s MET 59 CO 0.00 -0.05 0.56 0.41 -0.01 0.00 0.00 175.02 175.93 2k6z n GLY 60 N -1.67 1.55 3.33 -0.03 0.00 -0.59 -4.92 105.19 102.86 2k6z n GLY 60 Ca 0.02 -1.33 -0.14 0.00 0.00 0.00 0.00 46.02 44.57 2k6z n GLY 60 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2k6z s MET 61 N -2.27 0.61 -0.02 1.61 1.75 -1.26 -0.82 119.30 118.89 2k6z s MET 61 Ca 0.17 0.39 -0.29 0.00 -1.25 0.00 0.00 55.69 54.71 2k6z s MET 61 Cb -0.03 0.29 0.09 0.00 2.84 0.00 0.00 34.83 38.02 2k6z s MET 61 CO 0.12 -0.12 0.76 -0.98 -0.65 0.00 0.00 175.02 174.16 2k6z s ARG 62 N -0.28 0.97 0.41 4.11 1.04 -0.89 -5.01 118.95 119.30 2k6z s ARG 62 Ca -0.04 -0.01 -0.24 0.00 -1.04 0.00 0.00 55.73 54.40 2k6z s ARG 62 Cb -0.03 0.45 -0.09 0.00 -2.04 0.00 0.00 34.95 33.24 2k6z s ARG 62 CO 0.02 -0.35 1.07 -1.25 -0.04 0.00 0.00 175.30 174.75 2k6z s PRO 63 N -2.03 4.09 0.18 3.89 0.04 -1.26 -0.95 135.00 138.95 2k6z s PRO 63 Ca -0.04 1.55 0.10 0.00 0.04 0.00 0.00 61.00 62.65 2k6z s PRO 63 Cb -0.00 -2.50 -0.04 0.00 0.04 0.00 0.00 34.50 31.99 2k6z s PRO 63 CO 0.00 -0.22 -0.21 0.14 0.04 0.00 0.00 177.00 176.76 2k6z s VAL 64 N -1.65 2.08 -0.23 -0.36 -7.23 -0.15 -4.81 120.40 108.05 2k6z s VAL 64 Ca 0.59 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.93 2k6z s VAL 64 Cb -0.23 -1.99 0.13 0.00 0.56 0.00 0.00 36.38 34.85 2k6z s VAL 64 CO 0.28 -0.24 1.47 1.55 -0.31 0.00 0.00 175.10 177.85 2k6z h PRO 65 N 3.16 0.00 -1.16 4.82 0.13 -1.93 -3.43 132.00 133.59 2k6z h PRO 65 Ca -0.44 0.00 0.36 0.00 -0.87 0.00 0.00 66.00 65.05 2k6z h PRO 65 Cb 1.21 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.19 2k6z h PRO 65 CO 0.50 0.36 0.94 -0.59 -0.23 0.00 0.00 178.00 178.98 2k6z s PHE 66 N -3.03 -0.02 0.19 1.56 -0.12 -1.26 -4.74 117.98 110.56 2k6z s PHE 66 Ca 0.05 -0.01 0.09 0.00 -0.05 0.00 0.00 56.93 57.01 2k6z s PHE 66 Cb 0.07 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2k6z s PHE 66 CO 0.73 -0.09 -0.11 -0.51 -0.05 0.00 0.00 175.22 175.19 2k6z s LEU 67 N -2.75 2.92 0.05 -1.99 1.43 0.59 -4.99 118.68 113.94 2k6z s LEU 67 Ca 0.14 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2k6z s LEU 67 Cb 0.05 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.65 2k6z s LEU 67 CO -0.05 0.09 -0.18 -0.70 0.23 0.00 0.00 176.35 175.74 2k6z s GLU 68 N -2.92 2.04 -0.06 1.70 2.56 -1.26 -0.48 118.70 120.28 2k6z s GLU 68 Ca 0.25 -1.01 -0.02 0.00 0.00 0.00 0.00 54.97 54.19 2k6z s GLU 68 Cb -0.08 -2.18 0.04 0.00 2.00 0.00 0.00 34.13 33.90 2k6z s GLU 68 CO 0.15 0.53 0.11 0.08 -0.56 0.00 0.00 175.26 175.57 2k6z s VAL 69 N -0.96 -0.11 0.86 3.70 1.01 0.39 -4.94 120.40 120.35 2k6z s VAL 69 Ca 0.15 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.27 2k6z s VAL 69 Cb -0.11 -0.20 0.11 0.00 0.00 0.00 0.00 36.38 36.18 2k6z s VAL 69 CO 0.06 0.11 1.10 -2.16 0.00 0.00 0.00 175.10 174.20 2k6z s PRO 70 N 1.52 1.58 0.33 2.72 0.04 -1.26 -1.16 135.00 138.77 2k6z s PRO 70 Ca -0.05 0.68 -0.29 0.00 0.04 0.00 0.00 61.00 61.38 2k6z s PRO 70 Cb -0.12 -1.86 -0.12 0.00 0.04 0.00 0.00 34.50 32.45 2k6z s PRO 70 CO -0.05 -1.98 1.51 -0.35 0.04 0.00 0.00 177.00 176.17 2k6z n PRO 71 N -3.68 2.59 -0.73 0.56 -0.04 -1.26 -2.55 135.00 129.90 2k6z n PRO 71 Ca 0.07 0.92 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 2k6z n PRO 71 Cb 0.56 -2.65 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 2k6z n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k6z n LYS 72 N 1.27 -0.15 -2.86 0.54 4.76 -0.36 -4.99 118.16 116.38 2k6z n LYS 72 Ca 0.05 0.04 -0.21 0.00 -2.87 0.00 0.00 58.31 55.32 2k6z n LYS 72 Cb 0.37 -3.80 0.02 0.00 -1.84 0.00 0.00 35.03 29.78 2k6z n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k6z s GLY 73 N -2.00 1.72 0.07 0.72 0.00 -1.06 -4.87 107.32 101.89 2k6z s GLY 73 Ca 0.00 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.48 2k6z s GLY 73 CO 0.00 -1.03 -0.06 1.09 0.00 0.00 0.00 173.10 173.10 2k6z s ARG 74 N -4.61 0.65 -0.11 2.90 1.70 -1.26 -1.03 118.95 117.19 2k6z s ARG 74 Ca 0.53 -1.08 -0.06 0.00 -0.47 0.00 0.00 55.73 54.65 2k6z s ARG 74 Cb -0.10 -0.12 0.05 0.00 -0.57 0.00 0.00 34.95 34.20 2k6z s ARG 74 CO 0.37 -0.02 0.26 0.08 -1.08 0.00 0.00 175.30 174.91 2k6z s VAL 75 N -2.82 -0.04 -0.05 4.99 1.01 0.46 -4.99 120.40 118.96 2k6z s VAL 75 Ca 0.02 0.13 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2k6z s VAL 75 Cb -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2k6z s VAL 75 CO -0.04 0.05 0.29 -1.83 0.00 0.00 0.00 175.10 173.58 2k6z s GLU 76 N 1.19 3.69 0.24 2.72 4.04 -1.26 -0.73 118.70 128.60 2k6z s GLU 76 Ca -0.09 0.15 -0.14 0.00 0.04 0.00 0.00 54.97 54.93 2k6z s GLU 76 Cb -0.10 -3.19 0.30 0.00 0.02 0.00 0.00 34.13 31.17 2k6z s GLU 76 CO -0.08 0.72 1.56 -0.07 -1.84 0.00 0.00 175.26 175.55 2k6z h LEU 77 N 4.74 -1.17 0.00 1.83 4.07 -1.48 -3.47 115.31 119.83 2k6z h LEU 77 Ca -0.53 0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.72 2k6z h LEU 77 Cb 1.22 0.66 0.00 0.00 1.08 0.00 0.00 40.66 43.62 2k6z h LEU 77 CO 0.60 -0.30 0.00 1.17 -1.08 0.00 0.00 178.44 178.83 2k6z n LYS 78 N -5.52 0.00 0.04 1.13 3.00 -1.18 -0.41 118.16 115.22 2k6z n LYS 78 Ca 0.11 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.49 2k6z n LYS 78 Cb 0.43 0.00 0.28 0.00 0.00 0.00 0.00 35.03 35.74 2k6z n LYS 78 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2k6z n PRO 79 N 2.38 0.05 -0.10 1.64 -0.04 -1.26 -1.42 135.00 136.25 2k6z n PRO 79 Ca 0.00 0.39 0.10 0.00 -0.04 0.00 0.00 63.50 63.94 2k6z n PRO 79 Cb 0.00 -1.61 0.14 0.00 -0.04 0.00 0.00 33.50 31.99 2k6z n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k6z n GLY 80 N -0.55 4.75 0.00 0.55 0.00 -1.26 -5.05 105.19 103.63 2k6z n GLY 80 Ca 0.02 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.93 2k6z n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6z n GLY 81 N -1.38 3.79 3.77 -0.02 0.00 -0.51 -4.70 105.19 106.14 2k6z n GLY 81 Ca 0.16 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 2k6z n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k6z s TYR 82 N 2.72 3.18 -0.05 1.61 2.02 0.45 -1.22 117.35 126.07 2k6z s TYR 82 Ca 0.00 1.60 -0.30 0.00 -0.37 0.00 0.00 57.07 58.00 2k6z s TYR 82 Cb 0.00 -3.27 0.08 0.00 -0.40 0.00 0.00 41.96 38.37 2k6z s TYR 82 CO 0.00 -0.98 0.72 -3.38 -1.57 0.00 0.00 175.55 170.35 2k6z s HIS 83 N -1.50 -0.60 0.32 2.71 -3.43 0.23 -3.10 115.29 109.92 2k6z s HIS 83 Ca 0.57 0.96 -0.27 0.00 -0.80 0.00 0.00 55.06 55.52 2k6z s HIS 83 Cb -0.27 0.43 -0.09 0.00 -1.43 0.00 0.00 32.58 31.22 2k6z s HIS 83 CO 0.34 -0.59 1.00 -0.06 -2.00 0.00 0.00 174.74 173.43 2k6z s PHE 84 N -1.46 3.63 -0.25 0.38 0.08 -0.59 -0.87 117.98 118.90 2k6z s PHE 84 Ca -0.08 1.76 -0.01 0.00 0.12 0.00 0.00 56.93 58.72 2k6z s PHE 84 Cb -0.00 -3.05 0.03 0.00 -0.57 0.00 0.00 43.02 39.43 2k6z s PHE 84 CO 0.06 -0.09 -0.07 1.41 -0.10 0.00 0.00 175.22 176.44 2k6z s MET 85 N -1.86 2.75 -0.29 0.44 1.75 -0.09 -1.19 119.30 120.81 2k6z s MET 85 Ca 0.49 -1.03 -0.13 0.00 -1.25 0.00 0.00 55.69 53.77 2k6z s MET 85 Cb -0.24 -2.97 -0.04 0.00 2.84 0.00 0.00 34.83 34.43 2k6z s MET 85 CO 0.30 -0.42 0.29 -0.51 -0.65 0.00 0.00 175.02 174.02 2k6z s LEU 86 N 1.29 4.14 -0.09 4.11 1.02 0.20 -0.77 118.68 128.58 2k6z s LEU 86 Ca -0.01 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.18 2k6z s LEU 86 Cb -0.17 -2.26 -0.02 0.00 0.02 0.00 0.00 46.19 43.76 2k6z s LEU 86 CO -0.05 -0.16 -0.13 -0.76 0.02 0.00 0.00 176.35 175.27 2k6z s LEU 87 N 1.91 2.76 -0.39 1.79 2.01 -0.27 -1.14 118.68 125.35 2k6z s LEU 87 Ca 0.10 -0.25 -0.00 0.00 0.01 0.00 0.00 54.13 54.00 2k6z s LEU 87 Cb -0.16 -1.59 -0.00 0.00 0.01 0.00 0.00 46.19 44.45 2k6z s LEU 87 CO 0.11 0.26 0.32 0.61 1.01 0.00 0.00 176.35 178.66 2k6z n GLY 88 N 2.89 0.19 3.32 -3.19 0.00 -0.20 -1.44 105.19 106.77 2k6z n GLY 88 Ca -0.18 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 2k6z n GLY 88 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k6z n LEU 89 N -2.02 -1.49 -0.04 0.99 4.77 -1.19 -1.33 117.00 116.69 2k6z n LEU 89 Ca -0.09 0.44 -0.04 0.00 -0.03 0.00 0.00 56.01 56.29 2k6z n LEU 89 Cb 0.55 -1.07 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 2k6z n LEU 89 CO 0.20 -4.10 -0.77 0.29 -1.33 0.00 0.00 177.39 171.68 2k6z n LYS 90 N -0.02 2.50 -4.73 3.23 4.76 -1.19 -4.82 118.16 117.90 2k6z n LYS 90 Ca 0.06 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 2k6z n LYS 90 Cb 0.52 -1.21 -0.13 0.00 -1.84 0.00 0.00 35.03 32.37 2k6z n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k6z s ARG 91 N -2.19 3.05 -1.14 1.97 0.52 -1.26 -5.02 118.95 114.87 2k6z s ARG 91 Ca -0.05 -0.64 -0.22 0.00 -0.52 0.00 0.00 55.73 54.30 2k6z s ARG 91 Cb 0.02 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 2k6z s ARG 91 CO 0.32 0.42 1.86 -1.25 0.02 0.00 0.00 175.30 176.67 2k6z s PRO 92 N -0.18 2.89 -0.17 3.54 0.04 -1.26 -4.91 135.00 134.96 2k6z s PRO 92 Ca 0.01 -1.16 -0.22 0.00 0.04 0.00 0.00 61.00 59.67 2k6z s PRO 92 Cb -0.13 -5.28 -0.02 0.00 0.04 0.00 0.00 34.50 29.11 2k6z s PRO 92 CO 0.03 -3.38 0.69 -0.48 0.04 0.00 0.00 177.00 173.89 2k6z s LEU 93 N 9.01 4.18 0.37 -3.56 2.34 -1.17 -4.83 118.68 125.03 2k6z s LEU 93 Ca 0.64 0.98 0.08 0.00 0.06 0.00 0.00 54.13 55.89 2k6z s LEU 93 Cb -0.01 -3.00 -0.04 0.00 -0.56 0.00 0.00 46.19 42.58 2k6z s LEU 93 CO 0.08 -0.27 0.22 -0.54 -1.06 0.00 0.00 176.35 174.77 2k6z s LYS 94 N 1.76 2.42 0.10 1.48 1.02 -1.26 -2.85 119.74 122.40 2k6z s LYS 94 Ca 0.32 -1.58 -0.32 0.00 0.02 0.00 0.00 55.97 54.42 2k6z s LYS 94 Cb -0.16 -2.21 -0.11 0.00 -0.52 0.00 0.00 37.83 34.82 2k6z s LYS 94 CO 0.12 -0.01 1.83 0.00 -0.92 0.00 0.00 175.35 176.37 2k6z n ALA 95 N -1.28 1.96 -0.29 5.17 0.00 -1.26 -1.58 120.51 123.21 2k6z n ALA 95 Ca -0.01 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.75 2k6z n ALA 95 Cb 0.62 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.50 2k6z n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k6z n GLY 96 N 4.20 0.76 3.97 0.00 0.00 -0.32 -4.94 105.19 108.86 2k6z n GLY 96 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 2k6z n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k6z s GLU 97 N -0.71 1.29 -0.15 1.61 2.02 -0.62 -4.93 118.70 117.23 2k6z s GLU 97 Ca 0.00 -0.91 -0.07 0.00 0.02 0.00 0.00 54.97 54.02 2k6z s GLU 97 Cb 0.00 -2.17 0.06 0.00 0.10 0.00 0.00 34.13 32.13 2k6z s GLU 97 CO 0.00 -1.80 0.33 -1.21 0.02 0.00 0.00 175.26 172.60 2k6z s GLU 98 N -5.40 0.27 -0.09 1.61 0.41 -1.26 -0.09 118.70 114.15 2k6z s GLU 98 Ca 0.69 0.75 -0.08 0.00 -0.41 0.00 0.00 54.97 55.92 2k6z s GLU 98 Cb -0.04 0.01 0.02 0.00 -1.78 0.00 0.00 34.13 32.34 2k6z s GLU 98 CO 0.47 -0.21 0.23 0.08 -0.49 0.00 0.00 175.26 175.35 2k6z s VAL 99 N 1.83 -0.00 0.47 2.63 1.01 -0.16 -4.95 120.40 121.22 2k6z s VAL 99 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 61.98 61.74 2k6z s VAL 99 Cb -0.10 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.85 2k6z s VAL 99 CO -0.11 0.00 0.96 -1.61 0.00 0.00 0.00 175.10 174.35 2k6z s GLU 100 N 0.13 4.09 -0.08 2.72 2.02 -1.26 -1.24 118.70 125.08 2k6z s GLU 100 Ca -0.00 1.03 -0.04 0.00 0.02 0.00 0.00 54.97 55.98 2k6z s GLU 100 Cb -0.02 -2.16 0.04 0.00 0.10 0.00 0.00 34.13 32.09 2k6z s GLU 100 CO 0.00 -0.14 0.18 -1.17 0.02 0.00 0.00 175.26 174.15 2k6z s LEU 101 N -3.60 0.68 -0.28 1.80 0.20 -0.10 -4.11 118.68 113.27 2k6z s LEU 101 Ca 0.60 0.37 -0.29 0.00 0.69 0.00 0.00 54.13 55.50 2k6z s LEU 101 Cb -0.09 0.49 0.01 0.00 -0.43 0.00 0.00 46.19 46.16 2k6z s LEU 101 CO 0.22 -0.15 1.07 -1.81 -0.29 0.00 0.00 176.35 175.39 2k6z s ASP 102 N 1.12 6.99 -0.23 3.68 1.01 0.68 -0.58 116.67 129.34 2k6z s ASP 102 Ca -0.09 1.20 -0.22 0.00 0.71 0.00 0.00 52.55 54.15 2k6z s ASP 102 Cb -0.10 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.27 2k6z s ASP 102 CO -0.06 -0.80 0.70 -0.76 0.21 0.00 0.00 175.17 174.46 2k6z s LEU 103 N 3.49 4.09 -0.29 1.23 1.02 0.15 -1.31 118.68 127.06 2k6z s LEU 103 Ca 0.45 0.86 -0.14 0.00 0.02 0.00 0.00 54.13 55.33 2k6z s LEU 103 Cb -0.14 -2.98 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 2k6z s LEU 103 CO 0.12 -0.39 0.31 -0.76 0.02 0.00 0.00 176.35 175.65 2k6z s LEU 104 N 2.43 4.16 0.03 1.79 1.43 -0.44 -2.18 118.68 125.90 2k6z s LEU 104 Ca 0.30 0.03 0.07 0.00 -1.03 0.00 0.00 54.13 53.50 2k6z s LEU 104 Cb -0.16 -2.29 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2k6z s LEU 104 CO 0.09 -0.18 -0.18 -0.36 0.23 0.00 0.00 176.35 175.94 2k6z s PHE 105 N 1.94 2.56 0.30 0.29 0.08 -0.57 -0.50 117.98 122.08 2k6z s PHE 105 Ca 0.11 -0.26 -0.29 0.00 0.12 0.00 0.00 56.93 56.61 2k6z s PHE 105 Cb -0.16 -1.48 -0.11 0.00 -0.57 0.00 0.00 43.02 40.71 2k6z s PHE 105 CO 0.11 0.23 1.46 0.00 -0.10 0.00 0.00 175.22 176.92 2k6z s ALA 106 N -0.90 3.62 0.00 5.36 0.00 -0.15 -3.05 121.76 126.65 2k6z s ALA 106 Ca 0.14 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2k6z s ALA 106 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2k6z s ALA 106 CO 0.05 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.37 2k6z n GLY 107 N 1.57 0.64 1.98 0.00 0.00 -1.26 -4.58 105.19 103.55 2k6z n GLY 107 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 2k6z n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k6z n GLY 108 N -0.61 0.39 3.23 -0.02 0.00 -1.26 -5.05 105.19 101.88 2k6z n GLY 108 Ca 0.00 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.07 2k6z n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k6z s LYS 109 N -4.43 1.30 -0.02 1.61 1.02 -1.17 -5.08 119.74 112.97 2k6z s LYS 109 Ca 0.02 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.00 2k6z s LYS 109 Cb -0.01 -1.39 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 2k6z s LYS 109 CO 0.03 0.35 0.26 0.54 -0.92 0.00 0.00 175.35 175.61 2k6z s VAL 110 N -0.79 0.06 -0.17 3.17 0.11 -1.26 -1.51 120.40 120.01 2k6z s VAL 110 Ca 0.06 -0.49 -0.06 0.00 -2.93 0.00 0.00 61.98 58.57 2k6z s VAL 110 Cb -0.09 -0.54 0.08 0.00 -1.53 0.00 0.00 36.38 34.30 2k6z s VAL 110 CO 0.02 -0.27 0.33 -0.22 -3.33 0.00 0.00 175.10 171.63 2k6z s LEU 111 N -1.20 -0.46 -0.12 2.54 0.20 -0.93 -5.01 118.68 113.70 2k6z s LEU 111 Ca -0.13 0.73 -0.13 0.00 0.69 0.00 0.00 54.13 55.29 2k6z s LEU 111 Cb -0.06 0.99 -0.05 0.00 -0.43 0.00 0.00 46.19 46.65 2k6z s LEU 111 CO 0.03 -0.24 0.30 -0.75 -0.29 0.00 0.00 176.35 175.40 2k6z s LYS 112 N 2.51 4.06 0.34 1.98 2.20 -1.26 -0.67 119.74 128.89 2k6z s LYS 112 Ca 0.01 0.13 0.04 0.00 -0.36 0.00 0.00 55.97 55.79 2k6z s LYS 112 Cb -0.12 -3.35 -0.06 0.00 -1.51 0.00 0.00 37.83 32.79 2k6z s LYS 112 CO -0.11 0.42 0.06 0.08 -0.36 0.00 0.00 175.35 175.43 2k6z s VAL 113 N -0.09 1.24 -0.04 4.02 1.01 0.25 -4.97 120.40 121.83 2k6z s VAL 113 Ca 0.18 -2.00 0.05 0.00 0.00 0.00 0.00 61.98 60.21 2k6z s VAL 113 Cb -0.14 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 2k6z s VAL 113 CO 0.06 0.00 -0.19 0.54 0.00 0.00 0.00 175.10 175.51 2k6z s VAL 114 N -3.23 1.56 -0.02 2.92 0.11 -1.26 -0.92 120.40 119.56 2k6z s VAL 114 Ca 0.35 -0.81 0.05 0.00 -2.93 0.00 0.00 61.98 58.64 2k6z s VAL 114 Cb 0.09 -1.32 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 2k6z s VAL 114 CO 0.16 0.44 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.45 2k6z s LEU 115 N -0.15 2.00 0.57 2.54 2.01 -0.38 -4.94 118.68 120.33 2k6z s LEU 115 Ca -0.00 -0.29 -0.19 0.00 0.01 0.00 0.00 54.13 53.66 2k6z s LEU 115 Cb -0.11 -0.83 -0.05 0.00 0.01 0.00 0.00 46.19 45.22 2k6z s LEU 115 CO 0.01 0.18 1.15 -2.16 1.01 0.00 0.00 176.35 176.55 2k6z s PRO 116 N -0.29 3.18 -0.13 1.29 0.04 -1.26 -0.99 135.00 136.85 2k6z s PRO 116 Ca 0.04 1.67 -0.08 0.00 0.04 0.00 0.00 61.00 62.66 2k6z s PRO 116 Cb -0.07 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 2k6z s PRO 116 CO -0.00 -1.00 0.16 0.08 0.04 0.00 0.00 177.00 176.28 2k6z s VAL 117 N -1.76 5.45 0.13 -0.36 1.01 0.87 -0.75 120.40 125.00 2k6z s VAL 117 Ca 0.74 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 2k6z s VAL 117 Cb -0.26 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2k6z s VAL 117 CO 0.30 0.57 0.40 -1.61 0.00 0.00 0.00 175.10 174.77 2k6z s GLU 118 N -0.71 1.08 0.30 2.72 0.41 -0.09 -1.18 118.70 121.23 2k6z s GLU 118 Ca 0.14 -0.72 -0.27 0.00 -0.41 0.00 0.00 54.97 53.71 2k6z s GLU 118 Cb -0.12 0.47 -0.09 0.00 -1.78 0.00 0.00 34.13 32.60 2k6z s GLU 118 CO 0.03 -0.42 0.98 0.00 -0.49 0.00 0.00 175.26 175.36 2k6z s ALA 119 N -3.81 3.26 0.00 5.21 0.00 -1.26 -2.83 121.76 122.33 2k6z s ALA 119 Ca 0.03 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.63 2k6z s ALA 119 Cb 0.02 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.91 2k6z s ALA 119 CO -0.12 0.08 0.00 2.89 0.00 0.00 0.00 175.76 178.61