#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 -0.31 -3.63 1.61 3.41 -1.26 -5.07 113.62 108.37 2k6z n SER 2 Ca 0.00 0.86 -0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2k6z n SER 2 Cb 0.00 -1.22 -0.07 0.00 -0.26 0.00 0.00 64.21 62.66 2k6z n SER 2 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2k6z s PHE 3 N -1.53 -0.77 -1.15 7.33 0.08 -1.26 -5.06 117.98 115.63 2k6z s PHE 3 Ca 0.67 1.82 -0.09 0.00 0.12 0.00 0.00 56.93 59.45 2k6z s PHE 3 Cb -0.51 0.32 -0.14 0.00 -0.57 0.00 0.00 43.02 42.12 2k6z s PHE 3 CO 0.55 -0.37 3.16 0.25 -0.10 0.00 0.00 175.22 178.71 2k6z n THR 4 N 2.79 3.94 -2.95 0.64 -2.24 -1.26 -4.77 114.28 110.44 2k6z n THR 4 Ca -0.14 -2.27 -0.41 0.00 -2.27 0.00 0.00 64.05 58.95 2k6z n THR 4 Cb 0.56 -2.43 -0.04 0.00 -2.10 0.00 0.00 70.33 66.31 2k6z n THR 4 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2k6z s GLU 5 N 1.80 4.28 0.39 -0.78 -1.05 -1.26 -4.71 118.70 117.38 2k6z s GLU 5 Ca 0.69 0.92 -0.15 0.00 -0.15 0.00 0.00 54.97 56.28 2k6z s GLU 5 Cb 0.22 -3.57 0.06 0.00 -0.44 0.00 0.00 34.13 30.40 2k6z s GLU 5 CO -0.04 -0.30 0.79 0.20 0.95 0.00 0.00 175.26 176.86 2k6z s GLY 6 N 1.16 0.43 -0.03 -3.83 0.00 -1.26 -0.61 107.32 103.17 2k6z s GLY 6 Ca 0.36 -0.80 -0.09 0.00 0.00 0.00 0.00 44.72 44.19 2k6z s GLY 6 CO 0.12 -0.34 0.20 0.66 0.00 0.00 0.00 173.10 173.74 2k6z s TRP 7 N -2.23 -0.11 0.30 1.90 -2.14 0.07 -4.08 118.94 112.65 2k6z s TRP 7 Ca 0.16 0.21 -0.14 0.00 2.66 0.00 0.00 56.10 58.99 2k6z s TRP 7 Cb -0.05 0.03 -0.09 0.00 -3.10 0.00 0.00 33.47 30.26 2k6z s TRP 7 CO 0.12 -0.25 0.71 0.08 -2.66 0.00 0.00 176.95 174.95 2k6z s VAL 8 N -0.83 4.71 0.35 -0.66 1.01 0.11 -1.51 120.40 123.59 2k6z s VAL 8 Ca -0.09 0.89 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 2k6z s VAL 8 Cb -0.05 -3.62 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 2k6z s VAL 8 CO 0.02 -0.15 0.78 -0.13 0.00 0.00 0.00 175.10 175.62 2k6z s ARG 9 N -2.92 4.06 0.13 2.72 1.81 0.35 -1.59 118.95 123.52 2k6z s ARG 9 Ca 0.53 0.77 -0.30 0.00 -1.72 0.00 0.00 55.73 55.01 2k6z s ARG 9 Cb -0.11 -2.38 -0.07 0.00 -0.45 0.00 0.00 34.95 31.95 2k6z s ARG 9 CO 0.18 0.12 1.09 0.12 -0.68 0.00 0.00 175.30 176.12 2k6z s PHE 10 N -2.03 3.60 0.00 -0.53 5.36 -1.20 -4.50 117.98 118.69 2k6z s PHE 10 Ca 0.56 1.58 0.00 0.00 -0.96 0.00 0.00 56.93 58.11 2k6z s PHE 10 Cb -0.10 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 39.33 2k6z s PHE 10 CO 0.16 -0.55 0.00 0.45 -1.46 0.00 0.00 175.22 173.82 2k6z n SER 11 N 2.86 0.00 0.21 6.13 2.88 -0.58 -4.94 113.62 120.18 2k6z n SER 11 Ca 0.04 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.66 2k6z n SER 11 Cb 0.47 0.00 0.41 0.00 -0.75 0.00 0.00 64.21 64.34 2k6z n SER 11 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 2k6z h PRO 12 N 0.00 0.00 0.00 -1.46 0.13 -1.89 0.14 132.00 128.93 2k6z h PRO 12 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2k6z h PRO 12 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2k6z h PRO 12 CO 0.00 0.28 0.00 0.41 -0.23 0.00 0.00 178.00 178.46 2k6z n GLY 13 N 0.16 2.85 0.00 1.56 0.00 -1.26 -4.28 105.19 104.22 2k6z n GLY 13 Ca -0.00 -1.78 0.14 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.96 0.18 -3.93 1.61 -0.04 -1.26 -5.02 135.00 124.58 2k6z n PRO 14 Ca 0.00 0.01 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 2k6z n PRO 14 Cb 0.00 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 31.87 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 -2.82 0.22 0.20 3.54 4.22 -1.26 -0.79 114.94 118.25 2k6z s ASN 15 Ca 0.20 -0.67 0.03 0.00 -2.14 0.00 0.00 52.86 50.27 2k6z s ASN 15 Cb 0.19 0.26 -0.01 0.00 1.28 0.00 0.00 41.25 42.98 2k6z s ASN 15 CO 0.49 -0.61 0.21 0.00 -2.04 0.00 0.00 177.10 175.15 2k6z n ALA 16 N 0.32 0.20 -2.30 3.54 0.00 -0.14 -4.78 120.51 117.36 2k6z n ALA 16 Ca -0.16 -1.09 -0.19 0.00 0.00 0.00 0.00 53.44 52.00 2k6z n ALA 16 Cb 0.60 0.88 -0.09 0.00 0.00 0.00 0.00 19.45 20.85 2k6z n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k6z s ALA 17 N -2.62 1.87 -0.15 0.00 0.00 -1.26 -0.88 121.76 118.72 2k6z s ALA 17 Ca 0.21 -1.88 -0.13 0.00 0.00 0.00 0.00 51.96 50.17 2k6z s ALA 17 Cb 0.01 1.34 0.04 0.00 0.00 0.00 0.00 23.12 24.51 2k6z s ALA 17 CO 0.15 -0.59 0.39 0.00 0.00 0.00 0.00 175.76 175.71 2k6z s ALA 18 N -3.57 -0.96 -0.04 0.00 0.00 0.12 -0.49 121.76 116.81 2k6z s ALA 18 Ca 0.38 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.56 2k6z s ALA 18 Cb 0.04 -0.68 -0.02 0.00 0.00 0.00 0.00 23.12 22.46 2k6z s ALA 18 CO 0.22 -0.20 -0.24 0.71 0.00 0.00 0.00 175.76 176.26 2k6z s TYR 19 N 0.42 2.44 -0.18 0.00 2.02 -0.57 -1.91 117.35 119.58 2k6z s TYR 19 Ca -0.02 -0.54 -0.29 0.00 -0.37 0.00 0.00 57.07 55.85 2k6z s TYR 19 Cb -0.04 -1.57 0.12 0.00 -0.40 0.00 0.00 41.96 40.07 2k6z s TYR 19 CO -0.02 -0.10 0.99 -0.48 -1.57 0.00 0.00 175.55 174.38 2k6z s LEU 20 N -0.39 -0.39 -0.22 -1.29 0.05 -0.49 -0.75 118.68 115.20 2k6z s LEU 20 Ca 0.03 0.49 -0.20 0.00 0.05 0.00 0.00 54.13 54.50 2k6z s LEU 20 Cb -0.12 1.89 -0.02 0.00 -2.05 0.00 0.00 46.19 45.89 2k6z s LEU 20 CO 0.02 -0.32 0.62 -0.89 -0.55 0.00 0.00 176.35 175.23 2k6z s THR 21 N -0.89 5.01 -0.26 5.48 2.01 0.22 -0.51 115.64 126.69 2k6z s THR 21 Ca -0.01 1.15 -0.09 0.00 0.31 0.00 0.00 61.69 63.04 2k6z s THR 21 Cb -0.01 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 2k6z s THR 21 CO 0.01 0.08 0.14 -0.22 -0.69 0.00 0.00 174.62 173.94 2k6z s LEU 22 N 2.11 3.78 0.01 4.42 1.98 -0.44 -4.39 118.68 126.15 2k6z s LEU 22 Ca 0.27 -0.09 0.08 0.00 -2.89 0.00 0.00 54.13 51.50 2k6z s LEU 22 Cb -0.16 -2.04 -0.02 0.00 0.66 0.00 0.00 46.19 44.64 2k6z s LEU 22 CO 0.10 -0.04 -0.23 -1.61 -1.89 0.00 0.00 176.35 172.67 2k6z s GLU 23 N 1.66 1.78 -0.29 1.98 2.02 -1.26 -0.72 118.70 123.87 2k6z s GLU 23 Ca 0.07 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.15 2k6z s GLU 23 Cb -0.16 -1.80 0.06 0.00 0.10 0.00 0.00 34.13 32.34 2k6z s GLU 23 CO 0.08 0.48 -0.03 1.21 0.02 0.00 0.00 175.26 177.02 2k6z s ASN 24 N -0.80 4.72 0.04 -0.19 3.84 -0.26 -4.99 114.94 117.31 2k6z s ASN 24 Ca 0.09 -1.41 0.27 0.00 0.21 0.00 0.00 52.86 52.03 2k6z s ASN 24 Cb -0.09 -1.65 0.96 0.00 -0.55 0.00 0.00 41.25 39.92 2k6z s ASN 24 CO 0.00 -0.25 1.75 -0.81 -2.79 0.00 0.00 177.10 175.00 2k6z n PRO 25 N 4.52 0.06 -2.21 0.43 -0.04 -1.26 -1.70 135.00 134.80 2k6z n PRO 25 Ca -0.12 0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.11 2k6z n PRO 25 Cb 0.43 -1.55 0.13 0.00 -0.04 0.00 0.00 33.50 32.46 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 -3.12 1.75 0.00 0.55 0.00 -1.26 -4.66 107.32 100.57 2k6z s GLY 26 Ca 0.12 -1.30 0.23 0.00 0.00 0.00 0.00 44.72 43.77 2k6z s GLY 26 CO 0.59 -0.69 1.15 1.22 0.00 0.00 0.00 173.10 175.37 2k6z n ASP 27 N -3.25 2.17 -4.40 1.64 9.92 -1.26 -1.87 116.55 119.50 2k6z n ASP 27 Ca 0.13 -1.58 -0.23 0.00 -0.53 0.00 0.00 54.79 52.58 2k6z n ASP 27 Cb 0.60 0.37 -0.11 0.00 -0.64 0.00 0.00 41.12 41.34 2k6z n ASP 27 CO 0.00 0.00 0.00 -1.48 0.13 0.00 0.00 177.20 175.85 2k6z s LEU 28 N -2.38 2.51 0.40 0.64 0.05 -1.26 -4.83 118.68 113.80 2k6z s LEU 28 Ca 0.21 -0.94 -0.24 0.00 0.05 0.00 0.00 54.13 53.20 2k6z s LEU 28 Cb 0.19 -0.98 -0.09 0.00 -2.05 0.00 0.00 46.19 43.26 2k6z s LEU 28 CO 0.52 0.01 1.06 -2.16 -0.55 0.00 0.00 176.35 175.22 2k6z s PRO 29 N -3.13 4.17 0.20 1.48 0.04 -1.26 -4.19 135.00 132.31 2k6z s PRO 29 Ca 0.23 1.53 0.06 0.00 0.04 0.00 0.00 61.00 62.86 2k6z s PRO 29 Cb -0.05 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2k6z s PRO 29 CO 0.10 -0.14 0.16 -0.51 0.04 0.00 0.00 177.00 176.65 2k6z s LEU 30 N -2.61 3.80 -0.22 -3.56 1.43 -0.35 -4.97 118.68 112.21 2k6z s LEU 30 Ca 0.57 -0.19 -0.04 0.00 -1.03 0.00 0.00 54.13 53.45 2k6z s LEU 30 Cb -0.23 -2.38 0.11 0.00 0.03 0.00 0.00 46.19 43.73 2k6z s LEU 30 CO 0.28 0.02 0.29 -0.60 0.23 0.00 0.00 176.35 176.58 2k6z s ARG 31 N -3.42 0.26 -0.49 1.70 3.52 -1.26 0.03 118.95 119.29 2k6z s ARG 31 Ca 0.32 0.39 -0.21 0.00 -0.13 0.00 0.00 55.73 56.09 2k6z s ARG 31 Cb -0.09 -0.81 0.04 0.00 -1.56 0.00 0.00 34.95 32.53 2k6z s ARG 31 CO 0.24 -0.62 0.72 -1.17 -0.81 0.00 0.00 175.30 173.66 2k6z s LEU 32 N 2.43 4.54 -0.09 -0.88 0.20 0.31 -0.28 118.68 124.92 2k6z s LEU 32 Ca 0.09 -0.52 0.16 0.00 0.69 0.00 0.00 54.13 54.55 2k6z s LEU 32 Cb -0.15 -2.68 -0.24 0.00 -0.43 0.00 0.00 46.19 42.69 2k6z s LEU 32 CO -0.13 -0.94 0.24 1.33 -0.29 0.00 0.00 176.35 176.55 2k6z n VAL 33 N 5.88 0.52 -3.63 1.68 0.24 0.37 -0.67 118.33 122.72 2k6z n VAL 33 Ca -0.02 -0.54 -0.07 0.00 -2.04 0.00 0.00 64.34 61.67 2k6z n VAL 33 Cb 0.47 -0.20 0.02 0.00 -1.47 0.00 0.00 33.84 32.65 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 1.71 1.28 3.02 7.63 0.00 -1.18 -4.63 105.19 113.01 2k6z n GLY 34 Ca -0.14 -1.22 -0.21 0.00 0.00 0.00 0.00 46.02 44.45 2k6z n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k6z n ALA 35 N -1.13 0.59 -2.60 4.61 0.00 -1.26 -0.64 120.51 120.08 2k6z n ALA 35 Ca -0.13 -1.85 -0.16 0.00 0.00 0.00 0.00 53.44 51.31 2k6z n ALA 35 Cb 0.46 1.36 -0.06 0.00 0.00 0.00 0.00 19.45 21.20 2k6z n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k6z s ARG 36 N -3.34 1.74 -0.19 0.00 0.52 -0.35 -4.85 118.95 112.48 2k6z s ARG 36 Ca 0.27 -1.80 -0.31 0.00 -0.52 0.00 0.00 55.73 53.38 2k6z s ARG 36 Cb 0.01 0.38 0.15 0.00 0.52 0.00 0.00 34.95 36.01 2k6z s ARG 36 CO 0.19 -0.68 1.14 -0.08 0.02 0.00 0.00 175.30 175.89 2k6z s THR 37 N -3.40 0.00 -1.25 0.02 -1.32 -1.26 -1.47 115.64 106.96 2k6z s THR 37 Ca 0.35 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.10 2k6z s THR 37 Cb 0.02 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.38 2k6z s THR 37 CO 0.21 0.00 1.91 -0.81 -2.21 0.00 0.00 174.62 173.72 2k6z n PRO 38 N 0.47 0.23 -0.54 7.08 -0.04 -1.26 -4.04 135.00 136.90 2k6z n PRO 38 Ca -0.05 0.03 0.04 0.00 -0.04 0.00 0.00 63.50 63.48 2k6z n PRO 38 Cb 0.58 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.38 2.33 -3.66 0.52 0.24 -1.26 -4.76 118.33 110.36 2k6z n VAL 39 Ca 0.10 -2.35 -0.14 0.00 -2.04 0.00 0.00 64.34 59.91 2k6z n VAL 39 Cb 0.26 -0.28 -0.08 0.00 -1.47 0.00 0.00 33.84 32.27 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 -3.02 -1.42 0.28 2.33 0.00 -1.26 -2.07 121.76 116.60 2k6z s ALA 40 Ca 0.41 1.41 0.05 0.00 0.00 0.00 0.00 51.96 53.83 2k6z s ALA 40 Cb 0.36 -0.64 0.41 0.00 0.00 0.00 0.00 23.12 23.25 2k6z s ALA 40 CO 0.04 -0.29 1.68 1.49 0.00 0.00 0.00 175.76 178.68 2k6z h GLU 41 N 4.62 0.32 -4.44 0.00 4.57 0.37 -3.44 114.58 116.57 2k6z h GLU 41 Ca -0.28 -0.15 -0.17 0.00 -1.18 0.00 0.00 59.36 57.58 2k6z h GLU 41 Cb 1.16 -0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.60 2k6z h GLU 41 CO 0.22 0.67 -0.69 1.03 -1.18 0.00 0.00 179.01 179.06 2k6z s ARG 42 N -4.20 0.72 0.01 1.92 0.52 -0.39 -5.03 118.95 112.50 2k6z s ARG 42 Ca -0.05 -1.27 0.00 0.00 -0.52 0.00 0.00 55.73 53.89 2k6z s ARG 42 Cb 0.13 0.00 -0.01 0.00 0.52 0.00 0.00 34.95 35.60 2k6z s ARG 42 CO 0.78 -0.06 -0.01 0.54 0.02 0.00 0.00 175.30 176.56 2k6z s VAL 43 N -3.75 0.07 0.11 3.52 0.11 -1.26 -1.21 120.40 118.00 2k6z s VAL 43 Ca 0.09 -0.33 0.09 0.00 -2.93 0.00 0.00 61.98 58.90 2k6z s VAL 43 Cb 0.06 -0.12 -0.04 0.00 -1.53 0.00 0.00 36.38 34.75 2k6z s VAL 43 CO -0.07 -0.17 -0.23 -1.61 -3.33 0.00 0.00 175.10 169.69 2k6z s GLU 44 N -0.52 1.24 -0.25 1.54 2.02 -0.04 -4.88 118.70 117.81 2k6z s GLU 44 Ca -0.05 -1.22 -0.09 0.00 0.02 0.00 0.00 54.97 53.62 2k6z s GLU 44 Cb -0.04 -1.58 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 2k6z s GLU 44 CO -0.00 0.37 0.13 -1.17 0.02 0.00 0.00 175.26 174.61 2k6z s LEU 45 N -1.93 3.83 0.22 1.80 2.96 -1.26 -0.39 118.68 123.91 2k6z s LEU 45 Ca 0.09 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.04 2k6z s LEU 45 Cb -0.10 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2k6z s LEU 45 CO 0.05 -0.01 -0.16 -1.00 -1.32 0.00 0.00 176.35 173.91 2k6z s HIS 46 N 1.47 1.84 0.24 5.38 3.76 0.09 -0.67 115.29 127.40 2k6z s HIS 46 Ca 0.06 -0.51 0.06 0.00 -0.15 0.00 0.00 55.06 54.53 2k6z s HIS 46 Cb -0.15 -0.84 -0.03 0.00 1.11 0.00 0.00 32.58 32.66 2k6z s HIS 46 CO 0.07 0.43 0.22 -1.83 -0.85 0.00 0.00 174.74 172.78 2k6z s GLU 47 N -3.55 3.03 0.07 1.40 -1.05 0.20 -0.88 118.70 117.92 2k6z s GLU 47 Ca 0.23 -0.98 0.06 0.00 -0.15 0.00 0.00 54.97 54.14 2k6z s GLU 47 Cb -0.02 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 31.00 2k6z s GLU 47 CO 0.08 0.42 -0.17 0.99 0.95 0.00 0.00 175.26 177.54 2k6z s THR 48 N -2.07 1.32 0.35 1.83 2.01 -0.98 -2.09 115.64 116.02 2k6z s THR 48 Ca 0.33 -1.27 -0.17 0.00 0.31 0.00 0.00 61.69 60.88 2k6z s THR 48 Cb -0.08 -1.22 0.04 0.00 0.01 0.00 0.00 72.50 71.26 2k6z s THR 48 CO 0.26 -0.08 0.77 0.72 -0.69 0.00 0.00 174.62 175.59 2k6z s PHE 49 N -1.09 0.02 -0.09 4.92 -0.71 -0.32 -4.37 117.98 116.34 2k6z s PHE 49 Ca 0.02 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.29 2k6z s PHE 49 Cb -0.09 0.80 -0.03 0.00 -1.21 0.00 0.00 43.02 42.49 2k6z s PHE 49 CO 0.02 -1.46 -0.09 1.41 -1.34 0.00 0.00 175.22 173.76 2k6z s MET 50 N -2.84 2.98 0.27 1.99 -2.45 -1.26 -0.92 119.30 117.06 2k6z s MET 50 Ca 0.14 -0.60 0.12 0.00 -1.25 0.00 0.00 55.69 54.10 2k6z s MET 50 Cb -0.05 -2.61 -0.05 0.00 1.25 0.00 0.00 34.83 33.37 2k6z s MET 50 CO 0.10 0.50 -0.20 1.03 1.05 0.00 0.00 175.02 177.50 2k6z s ARG 51 N -0.37 1.65 0.20 4.11 0.52 0.52 -4.91 118.95 120.66 2k6z s ARG 51 Ca 0.05 -1.75 -0.11 0.00 -0.52 0.00 0.00 55.73 53.39 2k6z s ARG 51 Cb -0.12 -1.72 -0.07 0.00 0.52 0.00 0.00 34.95 33.56 2k6z s ARG 51 CO 0.02 0.32 0.55 -2.00 0.02 0.00 0.00 175.30 174.21 2k6z s GLU 52 N -3.51 3.87 -0.06 3.54 2.56 -1.26 -0.72 118.70 123.11 2k6z s GLU 52 Ca 0.29 0.36 -0.02 0.00 0.00 0.00 0.00 54.97 55.60 2k6z s GLU 52 Cb -0.05 -2.76 0.03 0.00 2.00 0.00 0.00 34.13 33.36 2k6z s GLU 52 CO 0.14 0.38 0.05 0.08 -0.56 0.00 0.00 175.26 175.35 2k6z s VAL 53 N -1.68 0.02 -1.88 3.70 1.01 0.08 -4.89 120.40 116.77 2k6z s VAL 53 Ca 0.43 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2k6z s VAL 53 Cb -0.13 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 35.95 2k6z s VAL 53 CO 0.20 0.14 0.00 -0.62 0.00 0.00 0.00 175.10 174.83 2k6z n GLU 54 N 5.26 -1.50 -0.88 2.72 1.02 -1.26 -0.82 120.64 125.17 2k6z n GLU 54 Ca -0.04 1.07 0.00 0.00 -0.02 0.00 0.00 57.16 58.16 2k6z n GLU 54 Cb 0.50 -5.56 0.00 0.00 -0.02 0.00 0.00 31.44 26.36 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 -0.81 0.76 3.46 0.62 0.00 -1.26 -5.03 105.19 102.94 2k6z n GLY 55 Ca -0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.12 3.69 -0.27 1.61 1.02 -0.00 -5.07 119.74 120.60 2k6z s LYS 56 Ca 0.00 -0.46 -0.29 0.00 0.02 0.00 0.00 55.97 55.24 2k6z s LYS 56 Cb 0.00 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.94 2k6z s LYS 56 CO 0.00 -0.18 1.54 0.15 -0.92 0.00 0.00 175.35 175.94 2k6z s LYS 57 N 1.61 3.75 -0.02 1.68 -0.14 -1.26 -0.74 119.74 124.62 2k6z s LYS 57 Ca 0.06 1.46 -0.00 0.00 -1.36 0.00 0.00 55.97 56.13 2k6z s LYS 57 Cb -0.15 -4.02 0.02 0.00 -1.68 0.00 0.00 37.83 32.00 2k6z s LYS 57 CO 0.04 -1.35 0.03 0.08 -0.76 0.00 0.00 175.35 173.40 2k6z s VAL 58 N 5.21 -0.04 0.86 3.17 1.01 0.10 -4.98 120.40 125.73 2k6z s VAL 58 Ca 0.68 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 2k6z s VAL 58 Cb -0.21 -0.08 0.11 0.00 0.00 0.00 0.00 36.38 36.20 2k6z s VAL 58 CO 0.29 0.06 1.21 -0.04 0.00 0.00 0.00 175.10 176.61 2k6z s MET 59 N 0.69 1.57 0.21 2.72 -1.94 -1.26 -0.36 119.30 120.93 2k6z s MET 59 Ca -0.06 0.01 -0.11 0.00 -1.71 0.00 0.00 55.69 53.82 2k6z s MET 59 Cb -0.08 -1.91 -0.01 0.00 2.01 0.00 0.00 34.83 34.84 2k6z s MET 59 CO -0.02 -1.85 0.39 0.20 -0.01 0.00 0.00 175.02 173.73 2k6z s GLY 60 N -4.60 0.55 -0.06 -0.03 0.00 -0.10 -4.72 107.32 98.35 2k6z s GLY 60 Ca 0.65 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 44.34 2k6z s GLY 60 CO 0.50 -0.73 0.31 -0.29 0.00 0.00 0.00 173.10 172.89 2k6z s MET 61 N -4.00 0.53 0.02 2.90 1.75 -1.26 -1.17 119.30 118.06 2k6z s MET 61 Ca 0.21 0.09 -0.12 0.00 -1.25 0.00 0.00 55.69 54.63 2k6z s MET 61 Cb 0.01 0.24 0.01 0.00 2.84 0.00 0.00 34.83 37.93 2k6z s MET 61 CO 0.06 -0.12 0.25 1.03 -0.65 0.00 0.00 175.02 175.59 2k6z s ARG 62 N -0.64 0.69 0.57 4.11 0.52 -0.89 -5.01 118.95 118.31 2k6z s ARG 62 Ca -0.07 -0.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.52 2k6z s ARG 62 Cb -0.04 0.29 -0.05 0.00 0.52 0.00 0.00 34.95 35.68 2k6z s ARG 62 CO 0.02 -0.20 1.04 -1.25 0.02 0.00 0.00 175.30 174.94 2k6z s PRO 63 N -2.08 3.46 0.05 3.54 0.04 -1.26 -0.63 135.00 138.13 2k6z s PRO 63 Ca -0.09 1.18 -0.00 0.00 0.04 0.00 0.00 61.00 62.13 2k6z s PRO 63 Cb -0.03 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 2k6z s PRO 63 CO -0.01 -0.69 -0.04 0.14 0.04 0.00 0.00 177.00 176.44 2k6z s VAL 64 N -2.44 0.30 -0.07 -0.36 -7.23 0.15 -4.79 120.40 105.96 2k6z s VAL 64 Ca 0.63 -1.66 0.13 0.00 -1.81 0.00 0.00 61.98 59.27 2k6z s VAL 64 Cb -0.15 -1.31 -0.06 0.00 0.56 0.00 0.00 36.38 35.42 2k6z s VAL 64 CO 0.35 -0.87 1.26 1.55 -0.31 0.00 0.00 175.10 177.07 2k6z h PRO 65 N 3.42 0.00 -1.26 4.82 0.13 -1.93 -3.43 132.00 133.75 2k6z h PRO 65 Ca -0.34 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.11 2k6z h PRO 65 Cb 1.16 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 2k6z h PRO 65 CO 0.61 0.60 0.90 -0.59 -0.23 0.00 0.00 178.00 179.29 2k6z s PHE 66 N -2.87 -0.05 0.15 1.56 -0.12 -1.26 -4.74 117.98 110.65 2k6z s PHE 66 Ca 0.02 0.01 0.07 0.00 -0.05 0.00 0.00 56.93 56.97 2k6z s PHE 66 Cb 0.08 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2k6z s PHE 66 CO 0.78 -0.13 -0.02 -0.51 -0.05 0.00 0.00 175.22 175.29 2k6z s LEU 67 N -2.50 3.29 0.05 -1.99 1.43 0.16 -4.99 118.68 114.13 2k6z s LEU 67 Ca 0.12 -0.36 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2k6z s LEU 67 Cb 0.02 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 2k6z s LEU 67 CO -0.04 0.12 -0.06 -0.70 0.23 0.00 0.00 176.35 175.90 2k6z s GLU 68 N -2.72 2.44 -0.09 1.70 2.56 -1.26 -0.53 118.70 120.81 2k6z s GLU 68 Ca 0.26 -0.83 -0.01 0.00 0.00 0.00 0.00 54.97 54.40 2k6z s GLU 68 Cb -0.10 -2.46 0.03 0.00 2.00 0.00 0.00 34.13 33.60 2k6z s GLU 68 CO 0.18 0.56 -0.04 0.08 -0.56 0.00 0.00 175.26 175.48 2k6z s VAL 69 N -1.13 0.70 0.75 3.70 1.01 0.10 -4.79 120.40 120.74 2k6z s VAL 69 Ca 0.20 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 2k6z s VAL 69 Cb -0.11 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.54 2k6z s VAL 69 CO 0.12 0.31 1.09 -2.16 0.00 0.00 0.00 175.10 174.45 2k6z s PRO 70 N 1.70 2.40 0.36 2.72 0.04 -1.26 -1.21 135.00 139.75 2k6z s PRO 70 Ca 0.02 1.20 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 2k6z s PRO 70 Cb -0.13 -1.91 -0.11 0.00 0.04 0.00 0.00 34.50 32.39 2k6z s PRO 70 CO -0.06 -1.53 1.51 -1.25 0.04 0.00 0.00 177.00 175.71 2k6z s PRO 71 N -4.76 4.11 0.00 0.56 0.04 -1.26 -2.22 135.00 131.47 2k6z s PRO 71 Ca 0.62 2.57 0.00 0.00 0.04 0.00 0.00 61.00 64.23 2k6z s PRO 71 Cb -0.18 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2k6z s PRO 71 CO 0.53 -0.55 0.00 1.63 0.04 0.00 0.00 177.00 178.65 2k6z n LYS 72 N 0.82 0.00 -2.20 4.56 4.76 -0.69 -4.95 118.16 120.47 2k6z n LYS 72 Ca 0.02 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 2k6z n LYS 72 Cb 0.39 -3.70 0.06 0.00 -1.84 0.00 0.00 35.03 29.93 2k6z n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k6z n GLY 73 N -2.00 1.46 3.20 0.72 0.00 -0.94 -4.85 105.19 102.78 2k6z n GLY 73 Ca 0.00 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.78 2k6z n GLY 73 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k6z s ARG 74 N -3.98 0.68 -0.05 1.61 1.70 -1.26 -1.10 118.95 116.55 2k6z s ARG 74 Ca 0.43 -0.46 -0.03 0.00 -0.47 0.00 0.00 55.73 55.21 2k6z s ARG 74 Cb -0.03 0.29 0.03 0.00 -0.57 0.00 0.00 34.95 34.67 2k6z s ARG 74 CO 0.28 -0.20 0.11 0.08 -1.08 0.00 0.00 175.30 174.50 2k6z s VAL 75 N -2.07 -0.03 -0.04 4.99 1.01 0.10 -4.95 120.40 119.42 2k6z s VAL 75 Ca -0.09 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.97 2k6z s VAL 75 Cb -0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2k6z s VAL 75 CO -0.01 0.04 0.13 -1.61 0.00 0.00 0.00 175.10 173.66 2k6z s GLU 76 N 0.69 3.31 0.06 2.72 8.01 -1.26 -1.32 118.70 130.90 2k6z s GLU 76 Ca -0.05 -0.32 -0.31 0.00 0.01 0.00 0.00 54.97 54.30 2k6z s GLU 76 Cb -0.07 -3.04 -0.06 0.00 -4.31 0.00 0.00 34.13 26.66 2k6z s GLU 76 CO -0.03 0.70 1.19 -0.51 0.01 0.00 0.00 175.26 176.62 2k6z s LEU 77 N -1.56 4.37 0.05 1.80 1.02 0.33 -4.79 118.68 119.90 2k6z s LEU 77 Ca 0.22 2.01 0.00 0.00 0.02 0.00 0.00 54.13 56.38 2k6z s LEU 77 Cb -0.12 -3.58 -0.03 0.00 0.02 0.00 0.00 46.19 42.48 2k6z s LEU 77 CO 0.12 -0.46 -0.05 -1.59 0.02 0.00 0.00 176.35 174.40 2k6z s LYS 78 N 1.03 0.55 0.34 1.70 0.00 0.41 -1.39 119.74 122.38 2k6z s LYS 78 Ca 0.58 -0.98 0.03 0.00 0.00 0.00 0.00 55.97 55.61 2k6z s LYS 78 Cb -0.29 0.01 0.64 0.00 0.00 0.00 0.00 37.83 38.19 2k6z s LYS 78 CO 0.29 -0.04 1.98 -1.00 0.00 0.00 0.00 175.35 176.58 2k6z h PRO 79 N 3.81 0.84 -0.31 1.78 0.13 -1.97 -1.93 132.00 134.35 2k6z h PRO 79 Ca -0.34 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k6z h PRO 79 Cb 1.18 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2k6z h PRO 79 CO 0.54 0.56 0.00 0.41 -0.23 0.00 0.00 178.00 179.27 2k6z n GLY 80 N -1.44 -0.09 0.00 1.56 0.00 -1.26 -4.90 105.19 99.06 2k6z n GLY 80 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.42 1.22 3.76 -0.02 0.00 -0.73 -4.69 105.19 105.17 2k6z n GLY 81 Ca 0.02 0.36 -0.40 0.00 0.00 0.00 0.00 46.02 46.00 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 2.23 3.31 0.00 1.61 2.02 -1.24 -2.31 117.35 122.98 2k6z s TYR 82 Ca 0.00 1.58 -0.28 0.00 -0.37 0.00 0.00 57.07 58.00 2k6z s TYR 82 Cb 0.00 -3.42 0.08 0.00 -0.40 0.00 0.00 41.96 38.22 2k6z s TYR 82 CO 0.00 -1.10 0.72 -3.38 -1.57 0.00 0.00 175.55 170.22 2k6z s HIS 83 N -1.22 -0.55 0.30 2.71 -3.43 -0.06 -0.45 115.29 112.59 2k6z s HIS 83 Ca 0.48 0.74 -0.27 0.00 -0.80 0.00 0.00 55.06 55.21 2k6z s HIS 83 Cb -0.34 0.47 -0.10 0.00 -1.43 0.00 0.00 32.58 31.19 2k6z s HIS 83 CO 0.44 -0.64 0.97 -0.06 -2.00 0.00 0.00 174.74 173.45 2k6z s PHE 84 N -2.13 3.72 -0.25 0.38 0.08 -0.80 -0.73 117.98 118.24 2k6z s PHE 84 Ca -0.05 1.80 -0.11 0.00 0.12 0.00 0.00 56.93 58.70 2k6z s PHE 84 Cb -0.00 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.41 2k6z s PHE 84 CO 0.00 0.13 0.17 1.41 -0.10 0.00 0.00 175.22 176.83 2k6z s MET 85 N -1.81 4.02 -0.19 0.44 1.75 0.48 -0.70 119.30 123.29 2k6z s MET 85 Ca 0.48 -0.29 -0.11 0.00 -1.25 0.00 0.00 55.69 54.52 2k6z s MET 85 Cb -0.22 -3.58 -0.05 0.00 2.84 0.00 0.00 34.83 33.82 2k6z s MET 85 CO 0.28 -0.03 0.18 -0.51 -0.65 0.00 0.00 175.02 174.29 2k6z s LEU 86 N 1.32 4.22 -0.02 4.11 1.02 -0.06 -0.86 118.68 128.43 2k6z s LEU 86 Ca 0.07 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.59 2k6z s LEU 86 Cb -0.14 -2.18 -0.01 0.00 0.02 0.00 0.00 46.19 43.88 2k6z s LEU 86 CO 0.07 0.16 -0.14 -0.76 0.02 0.00 0.00 176.35 175.70 2k6z s LEU 87 N 0.36 1.99 -0.10 1.79 1.02 -0.35 -0.97 118.68 122.42 2k6z s LEU 87 Ca 0.11 -0.25 -0.00 0.00 0.02 0.00 0.00 54.13 54.00 2k6z s LEU 87 Cb -0.12 -0.72 0.00 0.00 0.02 0.00 0.00 46.19 45.37 2k6z s LEU 87 CO 0.00 0.16 0.09 0.61 0.02 0.00 0.00 176.35 177.23 2k6z n GLY 88 N 2.84 0.51 3.42 -3.19 0.00 0.03 -1.23 105.19 107.57 2k6z n GLY 88 Ca -0.15 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.15 -0.04 -0.00 0.99 4.77 -1.20 -1.01 117.00 119.35 2k6z n LEU 89 Ca -0.02 0.39 -0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2k6z n LEU 89 Cb 0.51 -1.20 -0.00 0.00 -2.33 0.00 0.00 43.42 40.39 2k6z n LEU 89 CO 0.05 -3.54 -0.52 0.29 -1.33 0.00 0.00 177.39 172.34 2k6z n LYS 90 N -1.36 2.80 -3.68 3.23 4.76 -0.88 -4.83 118.16 118.19 2k6z n LYS 90 Ca 0.07 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.16 2k6z n LYS 90 Cb 0.53 -1.02 -0.06 0.00 -1.84 0.00 0.00 35.03 32.64 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 -2.02 3.67 -0.16 1.97 1.81 -1.26 -5.06 118.95 117.90 2k6z s ARG 91 Ca -0.01 0.08 -0.29 0.00 -1.72 0.00 0.00 55.73 53.80 2k6z s ARG 91 Cb 0.00 -3.12 -0.03 0.00 -0.45 0.00 0.00 34.95 31.35 2k6z s ARG 91 CO 0.03 0.67 1.52 -1.25 -0.68 0.00 0.00 175.30 175.58 2k6z s PRO 92 N -1.48 4.03 -0.56 3.54 0.04 -1.26 -4.85 135.00 134.46 2k6z s PRO 92 Ca 0.25 1.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.80 2k6z s PRO 92 Cb -0.14 -3.94 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2k6z s PRO 92 CO 0.14 -1.00 1.39 -0.51 0.04 0.00 0.00 177.00 177.06 2k6z s LEU 93 N 4.37 3.41 0.48 -3.56 2.01 0.50 -4.91 118.68 120.98 2k6z s LEU 93 Ca 0.67 0.29 0.07 0.00 0.01 0.00 0.00 54.13 55.16 2k6z s LEU 93 Cb -0.26 -3.08 0.03 0.00 0.01 0.00 0.00 46.19 42.89 2k6z s LEU 93 CO 0.25 -1.68 0.66 -0.54 1.01 0.00 0.00 176.35 176.06 2k6z s LYS 94 N 5.44 2.64 0.01 1.70 1.02 -1.26 -1.53 119.74 127.76 2k6z s LYS 94 Ca 0.52 -1.23 -0.27 0.00 0.02 0.00 0.00 55.97 55.00 2k6z s LYS 94 Cb -0.11 -2.68 -0.04 0.00 -0.52 0.00 0.00 37.83 34.49 2k6z s LYS 94 CO 0.25 -0.50 0.85 0.00 -0.92 0.00 0.00 175.35 175.03 2k6z s ALA 95 N -2.51 3.27 0.00 5.17 0.00 -1.26 -3.81 121.76 122.62 2k6z s ALA 95 Ca 0.57 0.38 0.00 0.00 0.00 0.00 0.00 51.96 52.91 2k6z s ALA 95 Cb -0.09 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2k6z s ALA 95 CO 0.35 -0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.43 2k6z n GLY 96 N 2.74 0.58 2.50 0.00 0.00 -0.51 -5.03 105.19 105.47 2k6z n GLY 96 Ca 0.02 -0.67 -0.16 0.00 0.00 0.00 0.00 46.02 45.21 2k6z n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k6z n GLU 97 N -2.70 -0.06 -3.95 1.61 1.02 -1.25 -4.92 120.64 110.40 2k6z n GLU 97 Ca 0.00 -1.66 -0.11 0.00 -0.02 0.00 0.00 57.16 55.37 2k6z n GLU 97 Cb 0.00 -0.52 -0.12 0.00 -0.02 0.00 0.00 31.44 30.77 2k6z n GLU 97 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k6z s GLU 98 N -4.29 0.21 -0.01 3.49 2.02 -1.26 -0.19 118.70 118.67 2k6z s GLU 98 Ca 0.44 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.95 2k6z s GLU 98 Cb -0.02 0.03 0.01 0.00 0.10 0.00 0.00 34.13 34.25 2k6z s GLU 98 CO 0.29 -0.02 0.20 0.08 0.02 0.00 0.00 175.26 175.83 2k6z s VAL 99 N -0.87 0.07 0.10 2.63 1.01 0.23 -4.88 120.40 118.70 2k6z s VAL 99 Ca -0.09 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.38 2k6z s VAL 99 Cb -0.06 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 2k6z s VAL 99 CO -0.01 -0.32 -0.07 -1.83 0.00 0.00 0.00 175.10 172.88 2k6z s GLU 100 N -1.27 2.23 -0.00 2.72 -1.05 -1.26 -1.07 118.70 119.01 2k6z s GLU 100 Ca -0.13 -0.98 0.04 0.00 -0.15 0.00 0.00 54.97 53.74 2k6z s GLU 100 Cb -0.06 -2.36 -0.01 0.00 -0.44 0.00 0.00 34.13 31.25 2k6z s GLU 100 CO 0.02 0.51 -0.14 -0.51 0.95 0.00 0.00 175.26 176.10 2k6z s LEU 101 N -2.26 2.05 -0.03 1.83 1.02 -0.32 -4.14 118.68 116.82 2k6z s LEU 101 Ca 0.23 -0.28 -0.25 0.00 0.02 0.00 0.00 54.13 53.85 2k6z s LEU 101 Cb -0.11 -0.69 -0.04 0.00 0.02 0.00 0.00 46.19 45.37 2k6z s LEU 101 CO 0.15 0.15 0.75 -1.81 0.02 0.00 0.00 176.35 175.61 2k6z s ASP 102 N -0.45 7.09 -0.38 2.29 1.01 -0.54 -0.56 116.67 125.13 2k6z s ASP 102 Ca 0.05 1.31 -0.12 0.00 0.71 0.00 0.00 52.55 54.50 2k6z s ASP 102 Cb -0.06 -2.45 0.03 0.00 1.01 0.00 0.00 42.92 41.46 2k6z s ASP 102 CO -0.00 -0.10 0.22 -0.76 0.21 0.00 0.00 175.17 174.74 2k6z s LEU 103 N 0.61 4.81 -0.37 1.23 1.02 -0.13 -1.20 118.68 124.64 2k6z s LEU 103 Ca 0.40 -1.01 -0.29 0.00 0.02 0.00 0.00 54.13 53.24 2k6z s LEU 103 Cb -0.19 -2.04 0.02 0.00 0.02 0.00 0.00 46.19 44.00 2k6z s LEU 103 CO 0.21 -0.41 1.13 -0.76 0.02 0.00 0.00 176.35 176.54 2k6z s LEU 104 N 1.57 3.82 -0.08 1.79 1.43 0.19 -1.91 118.68 125.49 2k6z s LEU 104 Ca 0.02 0.86 -0.03 0.00 -1.03 0.00 0.00 54.13 53.96 2k6z s LEU 104 Cb -0.19 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 2k6z s LEU 104 CO 0.07 -1.04 0.04 -0.36 0.23 0.00 0.00 176.35 175.28 2k6z s PHE 105 N 4.04 3.26 0.15 0.29 0.40 -0.57 -0.48 117.98 125.07 2k6z s PHE 105 Ca 0.48 0.26 -0.31 0.00 -0.60 0.00 0.00 56.93 56.75 2k6z s PHE 105 Cb -0.11 -1.81 -0.11 0.00 0.51 0.00 0.00 43.02 41.50 2k6z s PHE 105 CO 0.22 0.53 1.81 0.00 0.70 0.00 0.00 175.22 178.48 2k6z s ALA 106 N -0.95 3.83 -0.10 5.36 0.00 0.62 -3.28 121.76 127.23 2k6z s ALA 106 Ca 0.15 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.60 2k6z s ALA 106 Cb -0.12 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2k6z s ALA 106 CO 0.04 -1.14 0.12 0.41 0.00 0.00 0.00 175.76 175.19 2k6z n GLY 107 N 4.17 -0.67 2.12 0.00 0.00 -1.26 -4.62 105.19 104.94 2k6z n GLY 107 Ca 0.17 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.75 0.53 3.17 -0.02 0.00 -1.26 -5.03 105.19 101.83 2k6z n GLY 108 Ca 0.01 -0.78 -0.18 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 -3.11 0.81 -0.04 1.61 1.02 -1.20 -5.09 119.74 113.74 2k6z s LYS 109 Ca 0.00 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 2k6z s LYS 109 Cb 0.00 -0.81 0.02 0.00 -0.52 0.00 0.00 37.83 36.52 2k6z s LYS 109 CO 0.00 0.18 0.30 0.08 -0.92 0.00 0.00 175.35 174.99 2k6z s VAL 110 N -1.26 0.04 -0.20 3.17 1.01 -1.26 -1.51 120.40 120.40 2k6z s VAL 110 Ca -0.02 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2k6z s VAL 110 Cb -0.10 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.77 2k6z s VAL 110 CO 0.02 -0.20 -0.07 -0.22 0.00 0.00 0.00 175.10 174.62 2k6z s LEU 111 N -0.94 2.12 0.04 3.92 2.96 -0.80 -4.96 118.68 121.02 2k6z s LEU 111 Ca -0.10 -0.88 -0.27 0.00 -0.22 0.00 0.00 54.13 52.66 2k6z s LEU 111 Cb -0.05 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 2k6z s LEU 111 CO 0.03 -0.18 0.83 -0.75 -1.32 0.00 0.00 176.35 174.96 2k6z s LYS 112 N 1.47 4.54 0.21 1.98 2.20 -1.26 -0.96 119.74 127.93 2k6z s LYS 112 Ca -0.02 1.17 0.07 0.00 -0.36 0.00 0.00 55.97 56.84 2k6z s LYS 112 Cb -0.16 -3.39 -0.05 0.00 -1.51 0.00 0.00 37.83 32.72 2k6z s LYS 112 CO -0.08 0.20 -0.13 0.08 -0.36 0.00 0.00 175.35 175.07 2k6z s VAL 113 N 0.19 1.67 -0.02 4.02 1.01 0.28 -4.98 120.40 122.58 2k6z s VAL 113 Ca 0.42 -2.19 0.02 0.00 0.00 0.00 0.00 61.98 60.24 2k6z s VAL 113 Cb -0.21 -2.09 -0.00 0.00 0.00 0.00 0.00 36.38 34.08 2k6z s VAL 113 CO 0.25 -0.56 -0.08 -0.69 0.00 0.00 0.00 175.10 174.01 2k6z s VAL 114 N -3.01 0.69 -0.02 2.92 1.01 -1.26 -1.17 120.40 119.55 2k6z s VAL 114 Ca 0.23 -0.34 -0.25 0.00 0.00 0.00 0.00 61.98 61.63 2k6z s VAL 114 Cb 0.00 -0.61 0.05 0.00 0.00 0.00 0.00 36.38 35.83 2k6z s VAL 114 CO 0.07 0.21 0.54 -1.48 0.00 0.00 0.00 175.10 174.44 2k6z s LEU 115 N 0.03 -0.10 0.92 3.92 2.34 -0.23 -4.93 118.68 120.64 2k6z s LEU 115 Ca -0.00 0.43 -0.11 0.00 0.06 0.00 0.00 54.13 54.51 2k6z s LEU 115 Cb -0.06 2.08 0.15 0.00 -0.56 0.00 0.00 46.19 47.80 2k6z s LEU 115 CO -0.00 -0.58 1.09 -2.16 -1.06 0.00 0.00 176.35 173.64 2k6z s PRO 116 N -1.46 1.00 -0.24 1.48 0.04 -1.26 -0.60 135.00 133.97 2k6z s PRO 116 Ca -0.11 1.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.86 2k6z s PRO 116 Cb -0.02 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2k6z s PRO 116 CO 0.06 -2.48 0.15 0.08 0.04 0.00 0.00 177.00 174.86 2k6z s VAL 117 N -2.79 5.27 0.06 -0.36 1.01 0.74 -0.71 120.40 123.62 2k6z s VAL 117 Ca 0.65 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.87 2k6z s VAL 117 Cb -0.20 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2k6z s VAL 117 CO 0.58 0.34 -0.26 -1.61 0.00 0.00 0.00 175.10 174.15 2k6z s GLU 118 N 1.14 1.73 -1.34 2.72 2.02 -0.62 -1.42 118.70 122.93 2k6z s GLU 118 Ca 0.07 -1.15 -0.08 0.00 0.02 0.00 0.00 54.97 53.83 2k6z s GLU 118 Cb -0.14 -1.96 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 2k6z s GLU 118 CO 0.05 0.50 2.83 0.00 0.02 0.00 0.00 175.26 178.66 2k6z n ALA 119 N 1.62 7.19 -0.33 5.21 0.00 -1.26 -3.23 120.51 129.71 2k6z n ALA 119 Ca -0.17 -3.54 0.00 0.00 0.00 0.00 0.00 53.44 49.73 2k6z n ALA 119 Cb 0.52 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.93 2k6z n ALA 119 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37