#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kc0 n GLY 15 N 0.00 -0.34 0.31 0.00 0.00 -1.26 -4.04 105.19 99.86 2kc0 n GLY 15 Ca 0.00 -0.06 0.20 0.00 0.00 0.00 0.00 46.02 46.15 2kc0 n GLY 15 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kc0 h LEU 16 N 0.00 0.00 -0.73 0.99 -0.00 -1.97 -2.07 115.31 111.53 2kc0 h LEU 16 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.88 57.99 2kc0 h LEU 16 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 40.58 2kc0 h LEU 16 CO 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 178.44 178.77 2kc0 h ALA 17 N 2.00 1.01 0.00 0.17 0.00 -1.81 -2.49 119.26 118.14 2kc0 h ALA 17 Ca 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2kc0 h ALA 17 Cb 0.27 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2kc0 h ALA 17 CO 0.00 -0.12 -0.37 0.22 0.00 0.00 0.00 179.25 178.98 2kc0 h ASP 18 N 0.53 0.00 1.12 0.00 3.58 -1.71 -1.80 116.42 118.14 2kc0 h ASP 18 Ca 0.38 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.83 2kc0 h ASP 18 Cb 0.48 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.53 2kc0 h ASP 18 CO -0.33 0.37 0.00 0.00 -2.88 0.00 0.00 179.24 176.40 2kc0 h ALA 19 N 1.63 1.00 0.00 -0.78 0.00 -1.54 -0.37 119.26 119.20 2kc0 h ALA 19 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 2kc0 h ALA 19 Cb 0.84 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 2kc0 h ALA 19 CO 0.05 0.00 -1.35 -0.07 0.00 0.00 0.00 179.25 177.88 2kc0 h LEU 20 N 0.00 0.00 0.00 0.00 -0.00 -1.14 -3.38 115.31 110.79 2kc0 h LEU 20 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2kc0 h LEU 20 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.22 2kc0 h LEU 20 CO 0.00 0.87 -0.58 0.35 -0.00 0.00 0.00 178.44 179.08 2kc0 n THR 21 N -3.11 1.28 -3.14 0.22 -2.24 -1.05 -4.88 114.28 101.36 2kc0 n THR 21 Ca -0.09 0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.71 2kc0 n THR 21 Cb 0.95 -2.28 -0.05 0.00 -2.10 0.00 0.00 70.33 66.85 2kc0 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kc0 n ALA 22 N -3.70 1.72 -0.86 6.98 0.00 -0.17 -5.11 120.51 119.37 2kc0 n ALA 22 Ca -0.08 -2.93 -0.30 0.00 0.00 0.00 0.00 53.44 50.13 2kc0 n ALA 22 Cb 0.30 -0.91 0.25 0.00 0.00 0.00 0.00 19.45 19.09 2kc0 n ALA 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2kc0 s PRO 23 N -0.58 -1.52 0.06 0.00 0.04 -1.11 -4.68 135.00 127.20 2kc0 s PRO 23 Ca 0.34 0.10 -0.23 0.00 0.04 0.00 0.00 61.00 61.25 2kc0 s PRO 23 Cb 0.15 -1.55 -0.16 0.00 0.04 0.00 0.00 34.50 32.99 2kc0 s PRO 23 CO -0.14 -3.95 1.58 1.37 0.04 0.00 0.00 177.00 175.90 2kc0 h LEU 24 N -2.75 0.04 -7.79 -3.56 -0.00 -1.91 -3.49 115.31 95.85 2kc0 h LEU 24 Ca -0.47 -0.17 0.08 0.00 -0.00 0.00 0.00 57.88 57.32 2kc0 h LEU 24 Cb 1.31 -0.01 -0.07 0.00 -0.00 0.00 0.00 40.66 41.89 2kc0 h LEU 24 CO 0.36 0.20 0.28 -0.62 -0.00 0.00 0.00 178.44 178.67 2kc0 s ASP 25 N -5.40 -0.28 0.00 0.17 -1.08 -1.26 -5.08 116.67 103.73 2kc0 s ASP 25 Ca -0.14 -0.48 0.00 0.00 -0.52 0.00 0.00 52.55 51.41 2kc0 s ASP 25 Cb 0.05 0.66 0.00 0.00 -1.46 0.00 0.00 42.92 42.17 2kc0 s ASP 25 CO 0.67 -1.20 0.54 1.41 0.52 0.00 0.00 175.17 177.12 2kc0 n HIS 26 N -0.45 0.00 0.00 -5.34 8.25 -1.26 -4.85 115.22 111.58 2kc0 n HIS 26 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2kc0 n HIS 26 Cb 0.60 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kc0 n LYS 27 N 0.00 0.00 0.00 -0.41 2.85 -1.26 -5.07 118.16 114.27 2kc0 n LYS 27 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kc0 n LYS 27 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 2kc0 n LYS 27 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kc0 n ASP 28 N -0.20 0.00 0.00 -5.58 9.92 -1.26 -4.18 116.55 115.25 2kc0 n ASP 28 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2kc0 n ASP 28 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2kc0 n LYS 29 N 0.00 0.00 0.00 -1.24 2.85 -1.26 -5.15 118.16 113.36 2kc0 n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kc0 n LYS 29 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kc0 n GLY 30 N -0.25 5.83 3.73 2.58 0.00 -1.26 -5.12 105.19 110.70 2kc0 n GLY 30 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2kc0 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kc0 s LEU 31 N 0.00 4.38 0.00 0.99 1.98 -1.26 -4.89 118.68 119.88 2kc0 s LEU 31 Ca 0.00 2.44 0.00 0.00 -2.89 0.00 0.00 54.13 53.68 2kc0 s LEU 31 Cb 0.00 -3.60 0.00 0.00 0.66 0.00 0.00 46.19 43.25 2kc0 s LEU 31 CO 0.00 -0.66 0.55 0.00 -1.89 0.00 0.00 176.35 174.36 2kc0 n GLN 32 N 3.39 0.00 -3.45 1.98 -0.00 -1.26 -4.88 117.38 113.16 2kc0 n GLN 32 Ca 0.10 -0.52 -0.13 0.00 -0.00 0.00 0.00 57.00 56.44 2kc0 n GLN 32 Cb 0.42 -0.40 -0.03 0.00 -0.00 0.00 0.00 30.24 30.23 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.06 175.52 2kc0 s SER 33 N -0.24 -0.59 -0.27 2.61 1.04 -1.26 -1.01 113.70 113.98 2kc0 s SER 33 Ca 0.00 0.17 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 2kc0 s SER 33 Cb 0.00 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2kc0 s SER 33 CO 0.00 -0.88 0.48 -0.22 0.98 0.00 0.00 173.24 173.60 2kc0 s LEU 34 N -2.38 4.08 0.22 2.42 1.98 0.01 -4.87 118.68 120.14 2kc0 s LEU 34 Ca -0.02 0.39 -0.30 0.00 -2.89 0.00 0.00 54.13 51.31 2kc0 s LEU 34 Cb -0.01 -2.59 -0.09 0.00 0.66 0.00 0.00 46.19 44.17 2kc0 s LEU 34 CO -0.08 -0.28 1.23 -0.89 -1.89 0.00 0.00 176.35 174.44 2kc0 s THR 35 N 2.26 3.37 -0.45 3.68 2.01 -1.26 -0.85 115.64 124.40 2kc0 s THR 35 Ca 0.19 1.19 -0.07 0.00 0.31 0.00 0.00 61.69 63.31 2kc0 s THR 35 Cb -0.16 -3.76 0.11 0.00 0.01 0.00 0.00 72.50 68.71 2kc0 s THR 35 CO 0.10 0.21 0.30 -0.76 -0.69 0.00 0.00 174.62 173.77 2kc0 s LEU 36 N -0.51 5.52 0.10 4.42 1.02 -0.94 -4.69 118.68 123.60 2kc0 s LEU 36 Ca 0.52 -1.91 0.00 0.00 0.02 0.00 0.00 54.13 52.77 2kc0 s LEU 36 Cb -0.34 -1.96 0.00 0.00 0.02 0.00 0.00 46.19 43.91 2kc0 s LEU 36 CO 0.39 -0.64 0.00 -0.67 0.02 0.00 0.00 176.35 175.45 2kc0 n ASP 37 N 4.82 0.82 0.19 2.29 -0.08 -1.26 -3.41 116.55 119.93 2kc0 n ASP 37 Ca -0.07 0.15 0.08 0.00 -1.51 0.00 0.00 54.79 53.44 2kc0 n ASP 37 Cb 0.41 -0.22 0.26 0.00 2.34 0.00 0.00 41.12 43.92 2kc0 n ASP 37 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 2kc0 h GLN 38 N 0.00 0.00 -0.35 -0.67 -0.00 -1.97 -3.29 115.11 108.83 2kc0 h GLN 38 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2kc0 h GLN 38 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 2kc0 h GLN 38 CO 0.00 0.28 -0.15 1.03 0.00 0.00 0.00 178.83 179.99 2kc0 h SER 39 N 0.00 -0.52 -4.27 -0.69 0.87 -1.91 -3.45 113.55 103.57 2kc0 h SER 39 Ca -0.00 0.13 -0.17 0.00 -1.23 0.00 0.00 61.79 60.52 2kc0 h SER 39 Cb 1.01 0.29 -0.24 0.00 -0.44 0.00 0.00 62.40 63.02 2kc0 h SER 39 CO 0.04 -0.19 -0.52 0.54 -0.53 0.00 0.00 176.83 176.17 2kc0 s VAL 40 N -6.17 0.03 0.98 2.23 0.11 -1.24 -5.13 120.40 111.21 2kc0 s VAL 40 Ca -0.14 -0.28 -0.12 0.00 -2.93 0.00 0.00 61.98 58.50 2kc0 s VAL 40 Cb 0.14 -0.31 0.18 0.00 -1.53 0.00 0.00 36.38 34.85 2kc0 s VAL 40 CO 0.70 -0.16 1.09 -0.13 -3.33 0.00 0.00 175.10 173.27 2kc0 s ARG 41 N -0.51 0.56 0.33 1.54 1.81 -1.26 -4.67 118.95 116.74 2kc0 s ARG 41 Ca -0.06 0.68 0.26 0.00 -1.72 0.00 0.00 55.73 54.89 2kc0 s ARG 41 Cb -0.04 -1.74 1.11 0.00 -0.45 0.00 0.00 34.95 33.84 2kc0 s ARG 41 CO 0.01 -2.68 1.77 0.87 -0.68 0.00 0.00 175.30 174.58 2kc0 h LYS 42 N -1.86 0.00 0.14 3.54 1.57 -1.91 -3.15 116.57 114.89 2kc0 h LYS 42 Ca -0.53 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 57.96 2kc0 h LYS 42 Cb 1.31 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.65 2kc0 h LYS 42 CO 0.55 0.00 -1.20 -0.91 -0.57 0.00 0.00 179.45 177.32 2kc0 h ASN 43 N 0.00 0.82 -5.37 0.86 2.35 -1.98 -3.34 115.58 108.92 2kc0 h ASN 43 Ca 0.00 -0.85 -0.28 0.00 -0.55 0.00 0.00 56.30 54.62 2kc0 h ASN 43 Cb 0.33 -0.26 0.01 0.00 0.05 0.00 0.00 38.32 38.45 2kc0 h ASN 43 CO 0.00 1.59 -0.06 -1.84 -1.65 0.00 0.00 177.43 175.47 2kc0 n GLU 44 N -3.84 0.82 -4.75 0.81 0.28 -1.19 -4.97 120.64 107.79 2kc0 n GLU 44 Ca -0.14 -1.80 -0.24 0.00 -0.16 0.00 0.00 57.16 54.81 2kc0 n GLU 44 Cb 0.97 -0.08 -0.15 0.00 1.43 0.00 0.00 31.44 33.61 2kc0 n GLU 44 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kc0 s LYS 45 N -3.46 1.34 -0.04 3.44 1.02 -0.96 -4.13 119.74 116.95 2kc0 s LYS 45 Ca 0.32 -0.66 -0.02 0.00 0.02 0.00 0.00 55.97 55.63 2kc0 s LYS 45 Cb -0.03 -1.32 0.03 0.00 -0.52 0.00 0.00 37.83 35.99 2kc0 s LYS 45 CO 0.20 0.36 0.05 -1.17 -0.92 0.00 0.00 175.35 173.87 2kc0 s LEU 46 N -0.56 0.30 -0.10 3.17 1.98 -0.52 -1.70 118.68 121.25 2kc0 s LEU 46 Ca 0.06 0.06 -0.02 0.00 -2.89 0.00 0.00 54.13 51.34 2kc0 s LEU 46 Cb -0.07 -0.16 -0.03 0.00 0.66 0.00 0.00 46.19 46.58 2kc0 s LEU 46 CO -0.00 -0.23 -0.00 -0.54 -1.89 0.00 0.00 176.35 173.69 2kc0 s LYS 47 N 2.01 3.09 0.17 1.98 1.02 0.43 -0.41 119.74 128.03 2kc0 s LYS 47 Ca 0.03 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.65 2kc0 s LYS 47 Cb -0.12 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.33 2kc0 s LYS 47 CO -0.03 0.63 0.11 -0.51 -0.92 0.00 0.00 175.35 174.63 2kc0 s LEU 48 N -0.69 3.72 -0.22 3.17 2.01 -0.76 -0.95 118.68 124.96 2kc0 s LEU 48 Ca 0.11 -0.18 -0.13 0.00 0.01 0.00 0.00 54.13 53.94 2kc0 s LEU 48 Cb -0.12 -2.33 0.07 0.00 0.01 0.00 0.00 46.19 43.82 2kc0 s LEU 48 CO 0.02 0.07 0.54 0.00 1.01 0.00 0.00 176.35 177.99 2kc0 s ALA 49 N -1.76 -1.42 -0.25 4.21 0.00 -0.46 -1.41 121.76 120.66 2kc0 s ALA 49 Ca 0.30 1.91 -0.26 0.00 0.00 0.00 0.00 51.96 53.92 2kc0 s ALA 49 Cb -0.10 -1.14 0.11 0.00 0.00 0.00 0.00 23.12 21.99 2kc0 s ALA 49 CO 0.23 -0.31 0.95 0.00 0.00 0.00 0.00 175.76 176.62 2kc0 s ALA 50 N 1.43 -1.92 -1.47 0.00 0.00 -0.26 -2.27 121.76 117.27 2kc0 s ALA 50 Ca -0.09 1.85 -0.09 0.00 0.00 0.00 0.00 51.96 53.63 2kc0 s ALA 50 Cb -0.07 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.88 2kc0 s ALA 50 CO -0.15 -0.27 0.83 1.04 0.00 0.00 0.00 175.76 177.20 2kc0 n GLN 51 N 2.08 -4.92 -0.80 0.00 1.13 -1.26 -1.29 117.38 112.32 2kc0 n GLN 51 Ca -0.13 0.56 0.00 0.00 -1.94 0.00 0.00 57.00 55.50 2kc0 n GLN 51 Cb 0.56 -5.26 0.00 0.00 0.11 0.00 0.00 30.24 25.65 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2kc0 n GLY 52 N -1.67 0.46 3.98 1.08 0.00 -1.26 -4.68 105.19 103.11 2kc0 n GLY 52 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2kc0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kc0 s ALA 53 N -2.35 4.15 0.18 4.61 0.00 -0.41 -5.15 121.76 122.79 2kc0 s ALA 53 Ca 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 51.96 50.38 2kc0 s ALA 53 Cb 0.00 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.49 2kc0 s ALA 53 CO 0.00 0.03 0.46 -1.83 0.00 0.00 0.00 175.76 174.42 2kc0 s GLU 54 N -4.12 1.28 0.09 0.00 -1.05 -1.26 -1.10 118.70 112.54 2kc0 s GLU 54 Ca 0.42 -0.88 0.02 0.00 -0.15 0.00 0.00 54.97 54.39 2kc0 s GLU 54 Cb -0.09 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.05 2kc0 s GLU 54 CO 0.30 -0.53 -0.07 0.21 0.95 0.00 0.00 175.26 176.12 2kc0 s LYS 55 N -3.87 0.80 -0.20 -4.83 2.47 -0.50 -4.84 119.74 108.77 2kc0 s LYS 55 Ca 0.09 -1.24 -0.01 0.00 -1.56 0.00 0.00 55.97 53.25 2kc0 s LYS 55 Cb 0.00 -0.28 0.01 0.00 -1.46 0.00 0.00 37.83 36.10 2kc0 s LYS 55 CO -0.04 0.01 -0.12 0.95 0.16 0.00 0.00 175.35 176.30 2kc0 s THR 56 N -3.14 2.69 0.22 3.43 -4.23 -1.26 -1.83 115.64 111.52 2kc0 s THR 56 Ca 0.08 -0.75 0.11 0.00 -1.18 0.00 0.00 61.69 59.95 2kc0 s THR 56 Cb 0.02 -2.20 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 2kc0 s THR 56 CO -0.03 0.46 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.04 2kc0 s TYR 57 N 1.38 2.45 -0.07 3.99 2.02 0.45 -5.00 117.35 122.57 2kc0 s TYR 57 Ca 0.05 -0.29 -0.31 0.00 -0.37 0.00 0.00 57.07 56.14 2kc0 s TYR 57 Cb -0.14 -1.16 0.12 0.00 -0.40 0.00 0.00 41.96 40.38 2kc0 s TYR 57 CO -0.08 0.57 1.12 0.20 -1.57 0.00 0.00 175.55 175.79 2kc0 s GLY 58 N -3.04 -0.35 -1.73 0.71 0.00 -1.26 -1.44 107.32 100.21 2kc0 s GLY 58 Ca 0.25 1.09 0.00 0.00 0.00 0.00 0.00 44.72 46.07 2kc0 s GLY 58 CO 0.14 0.34 0.00 -2.01 0.00 0.00 0.00 173.10 171.56 2kc0 n ASN 59 N -0.26 -5.12 -0.69 1.64 5.15 -1.25 -4.52 115.26 110.21 2kc0 n ASN 59 Ca -0.04 0.22 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 2kc0 n ASN 59 Cb 0.60 -4.40 0.00 0.00 -0.53 0.00 0.00 39.78 35.45 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kc0 n GLY 60 N -0.70 -3.10 0.00 8.20 0.00 -1.26 -4.92 105.19 103.41 2kc0 n GLY 60 Ca -0.20 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2kc0 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kc0 n ASP 61 N 0.00 0.70 -3.49 1.61 -0.08 -1.22 -5.02 116.55 109.04 2kc0 n ASP 61 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 2kc0 n ASP 61 Cb 0.00 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.41 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N 1.22 -0.61 -0.20 1.67 1.04 -1.26 -2.22 113.70 113.34 2kc0 s SER 62 Ca 0.00 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.90 2kc0 s SER 62 Cb 0.00 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.68 2kc0 s SER 62 CO 0.00 -0.70 -0.17 -0.22 0.98 0.00 0.00 173.24 173.13 2kc0 s LEU 63 N -1.69 2.41 0.00 2.42 0.20 -0.03 -4.93 118.68 117.07 2kc0 s LEU 63 Ca -0.06 -0.72 -0.30 0.00 0.69 0.00 0.00 54.13 53.74 2kc0 s LEU 63 Cb -0.00 -1.53 -0.07 0.00 -0.43 0.00 0.00 46.19 44.17 2kc0 s LEU 63 CO 0.02 -0.03 1.62 0.20 -0.29 0.00 0.00 176.35 177.87 2kc0 s ASN 64 N 1.29 6.67 -0.41 3.68 0.01 -1.26 -0.81 114.94 124.11 2kc0 s ASN 64 Ca 0.03 2.32 0.09 0.00 -0.71 0.00 0.00 52.86 54.59 2kc0 s ASN 64 Cb -0.14 -2.55 0.37 0.00 0.41 0.00 0.00 41.25 39.34 2kc0 s ASN 64 CO -0.11 -0.88 1.20 1.07 -1.51 0.00 0.00 177.10 176.87 2kc0 n THR 65 N 5.08 0.09 -0.38 1.60 5.66 -0.18 -4.91 114.28 121.24 2kc0 n THR 65 Ca 0.16 -1.87 -0.30 0.00 -3.05 0.00 0.00 64.05 58.99 2kc0 n THR 65 Cb 0.42 1.04 0.28 0.00 -1.55 0.00 0.00 70.33 70.53 2kc0 n THR 65 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kc0 s GLY 66 N -1.51 1.43 0.00 1.09 0.00 -0.60 -4.46 107.32 103.26 2kc0 s GLY 66 Ca 0.24 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.24 2kc0 s GLY 66 CO -0.06 0.26 0.00 1.17 0.00 0.00 0.00 173.10 174.47 2kc0 n LYS 67 N -5.56 0.00 0.00 2.90 4.81 -1.26 -4.70 118.16 114.35 2kc0 n LYS 67 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.55 2kc0 n LYS 67 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2kc0 n LYS 67 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kc0 n LEU 68 N -0.41 0.00 -3.64 3.14 4.32 -1.26 -4.58 117.00 114.57 2kc0 n LEU 68 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 55.85 2kc0 n LEU 68 Cb 0.00 0.00 -0.06 0.00 -1.62 0.00 0.00 43.42 41.74 2kc0 n LEU 68 CO 0.00 0.00 0.19 -0.75 -1.22 0.00 0.00 177.39 175.61 2kc0 s LYS 69 N 0.00 0.93 0.60 3.23 2.36 -1.26 -5.19 119.74 120.41 2kc0 s LYS 69 Ca 0.00 -0.26 0.00 0.00 -2.55 0.00 0.00 55.97 53.17 2kc0 s LYS 69 Cb 0.00 0.42 0.06 0.00 -1.05 0.00 0.00 37.83 37.26 2kc0 s LYS 69 CO 0.00 -0.31 0.84 0.54 1.55 0.00 0.00 175.35 177.96 2kc0 s ASN 70 N -1.84 5.04 -1.44 1.43 2.20 -1.26 -4.64 114.94 114.43 2kc0 s ASN 70 Ca -0.07 -0.07 0.00 0.00 -0.94 0.00 0.00 52.86 51.79 2kc0 s ASN 70 Cb -0.01 -0.69 0.00 0.00 -2.00 0.00 0.00 41.25 38.55 2kc0 s ASN 70 CO -0.00 -1.33 0.00 0.47 -2.94 0.00 0.00 177.10 173.30 2kc0 n ASP 71 N -2.49 -4.13 -4.50 3.54 9.92 -0.67 -4.95 116.55 113.27 2kc0 n ASP 71 Ca 0.10 0.27 -0.24 0.00 -0.53 0.00 0.00 54.79 54.38 2kc0 n ASP 71 Cb 0.60 -3.66 -0.10 0.00 -0.64 0.00 0.00 41.12 37.32 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2kc0 s LYS 72 N -3.98 1.72 -0.13 -1.24 -2.85 -0.45 -4.94 119.74 107.86 2kc0 s LYS 72 Ca 0.00 -1.87 -0.01 0.00 -1.00 0.00 0.00 55.97 53.09 2kc0 s LYS 72 Cb 0.00 -1.55 -0.02 0.00 -2.06 0.00 0.00 37.83 34.20 2kc0 s LYS 72 CO 0.00 0.13 -0.10 0.14 0.10 0.00 0.00 175.35 175.62 2kc0 s VAL 73 N -2.72 3.37 -0.14 1.79 -7.23 -1.26 -0.77 120.40 113.43 2kc0 s VAL 73 Ca 0.31 -0.56 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 2kc0 s VAL 73 Cb 0.02 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.49 2kc0 s VAL 73 CO 0.15 0.52 0.19 -0.94 -0.31 0.00 0.00 175.10 174.71 2kc0 s SER 74 N 0.20 6.38 0.10 4.85 1.04 -0.25 -4.95 113.70 121.07 2kc0 s SER 74 Ca -0.06 0.45 -0.30 0.00 0.48 0.00 0.00 55.95 56.52 2kc0 s SER 74 Cb -0.15 -2.11 -0.06 0.00 0.10 0.00 0.00 66.02 63.80 2kc0 s SER 74 CO 0.04 0.27 1.03 0.00 0.98 0.00 0.00 173.24 175.56 2kc0 s ARG 75 N -0.31 4.61 0.03 4.02 1.70 -1.26 -2.62 118.95 125.12 2kc0 s ARG 75 Ca 0.14 1.55 -0.00 0.00 -0.47 0.00 0.00 55.73 56.94 2kc0 s ARG 75 Cb -0.12 -3.37 -0.02 0.00 -0.57 0.00 0.00 34.95 30.87 2kc0 s ARG 75 CO 0.03 0.07 -0.03 -0.06 -1.08 0.00 0.00 175.30 174.23 2kc0 s PHE 76 N 0.29 0.31 0.17 5.89 0.08 -0.92 -4.94 117.98 118.87 2kc0 s PHE 76 Ca 0.50 -0.63 0.07 0.00 0.12 0.00 0.00 56.93 56.99 2kc0 s PHE 76 Cb -0.25 -0.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 2kc0 s PHE 76 CO 0.31 -0.22 0.01 -0.51 -0.10 0.00 0.00 175.22 174.70 2kc0 s ASP 77 N -1.73 4.82 0.07 1.36 1.01 -0.96 -1.31 116.67 119.92 2kc0 s ASP 77 Ca -0.12 -0.37 -0.05 0.00 0.71 0.00 0.00 52.55 52.72 2kc0 s ASP 77 Cb -0.07 -1.05 -0.02 0.00 1.01 0.00 0.00 42.92 42.80 2kc0 s ASP 77 CO -0.03 0.09 0.09 0.72 0.21 0.00 0.00 175.17 176.26 2kc0 s PHE 78 N -1.72 0.30 0.01 4.23 -0.12 -0.05 -1.36 117.98 119.27 2kc0 s PHE 78 Ca 0.28 -0.76 0.01 0.00 -0.05 0.00 0.00 56.93 56.40 2kc0 s PHE 78 Cb -0.09 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.09 2kc0 s PHE 78 CO 0.19 -0.46 -0.04 0.42 -0.05 0.00 0.00 175.22 175.28 2kc0 s ILE 79 N -3.73 0.24 0.50 -4.49 1.09 -0.12 -1.92 121.20 112.76 2kc0 s ILE 79 Ca 0.05 -0.40 0.00 0.00 -1.10 0.00 0.00 60.65 59.20 2kc0 s ILE 79 Cb 0.05 -0.26 0.01 0.00 -1.06 0.00 0.00 42.46 41.20 2kc0 s ILE 79 CO -0.10 -0.11 0.72 -0.60 -0.10 0.00 0.00 174.94 174.76 2kc0 s ARG 80 N -0.54 2.87 -0.25 2.79 3.52 -0.33 -0.43 118.95 126.58 2kc0 s ARG 80 Ca -0.04 -0.55 -0.15 0.00 -0.13 0.00 0.00 55.73 54.86 2kc0 s ARG 80 Cb -0.04 -2.51 0.07 0.00 -1.56 0.00 0.00 34.95 30.91 2kc0 s ARG 80 CO -0.00 -0.46 0.61 -1.14 -0.81 0.00 0.00 175.30 173.51 2kc0 s GLN 81 N -4.66 0.64 -0.12 5.12 0.74 -0.69 -4.64 119.66 116.05 2kc0 s GLN 81 Ca 0.52 1.07 -0.30 0.00 0.05 0.00 0.00 55.36 56.70 2kc0 s GLN 81 Cb -0.10 0.13 0.12 0.00 1.10 0.00 0.00 33.01 34.26 2kc0 s GLN 81 CO 0.39 -0.14 0.98 -1.50 -0.55 0.00 0.00 175.29 174.46 2kc0 s ILE 82 N 1.38 0.00 0.25 -2.34 2.07 -1.26 -2.27 121.20 119.03 2kc0 s ILE 82 Ca -0.08 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.86 2kc0 s ILE 82 Cb -0.06 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.44 2kc0 s ILE 82 CO -0.15 0.00 1.11 -1.83 -1.91 0.00 0.00 174.94 172.16 2kc0 s GLU 83 N -1.80 4.62 -0.13 3.50 1.03 -1.26 -4.41 118.70 120.25 2kc0 s GLU 83 Ca 0.01 1.79 0.03 0.00 0.03 0.00 0.00 54.97 56.83 2kc0 s GLU 83 Cb -0.01 -3.21 0.01 0.00 -0.80 0.00 0.00 34.13 30.12 2kc0 s GLU 83 CO -0.02 0.15 -0.21 0.14 -1.33 0.00 0.00 175.26 174.00 2kc0 s VAL 84 N -0.84 1.92 -0.44 1.83 -7.23 -0.34 -4.58 120.40 110.71 2kc0 s VAL 84 Ca 0.46 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.73 2kc0 s VAL 84 Cb -0.31 -1.70 0.00 0.00 0.56 0.00 0.00 36.38 34.92 2kc0 s VAL 84 CO 0.39 0.52 0.00 0.47 -0.31 0.00 0.00 175.10 176.18 2kc0 n ASP 85 N 4.01 -4.59 0.00 4.85 8.00 -1.26 -0.48 116.55 127.08 2kc0 n ASP 85 Ca -0.20 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.41 2kc0 n ASP 85 Cb 0.52 -3.11 0.00 0.00 -0.02 0.00 0.00 41.12 38.50 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 86 N 0.50 0.47 3.74 0.44 0.00 -1.26 -5.09 105.19 104.00 2kc0 n GLY 86 Ca -0.04 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 2kc0 n GLY 86 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kc0 s GLN 87 N -1.28 2.69 -0.30 1.61 -0.21 0.36 -5.07 119.66 117.47 2kc0 s GLN 87 Ca 0.00 -0.97 -0.16 0.00 0.02 0.00 0.00 55.36 54.25 2kc0 s GLN 87 Cb 0.00 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.46 2kc0 s GLN 87 CO 0.00 0.47 0.40 -0.51 -2.12 0.00 0.00 175.29 173.54 2kc0 s LEU 88 N -3.04 4.16 -0.06 2.90 1.02 -1.26 -1.20 118.68 121.21 2kc0 s LEU 88 Ca 0.29 0.15 -0.00 0.00 0.02 0.00 0.00 54.13 54.59 2kc0 s LEU 88 Cb -0.10 -2.45 0.03 0.00 0.02 0.00 0.00 46.19 43.69 2kc0 s LEU 88 CO 0.21 -0.27 -0.01 -0.63 0.02 0.00 0.00 176.35 175.68 2kc0 s ILE 89 N 2.13 0.35 -0.40 -0.59 1.01 -1.26 -5.03 121.20 117.42 2kc0 s ILE 89 Ca 0.15 0.07 0.09 0.00 0.00 0.00 0.00 60.65 60.97 2kc0 s ILE 89 Cb -0.16 -0.47 0.30 0.00 0.01 0.00 0.00 42.46 42.14 2kc0 s ILE 89 CO 0.11 0.23 0.71 0.35 0.00 0.00 0.00 174.94 176.34 2kc0 n THR 90 N 4.69 -0.32 -2.52 2.92 -2.24 -1.26 -4.41 114.28 111.13 2kc0 n THR 90 Ca -0.15 -3.76 0.02 0.00 -2.27 0.00 0.00 64.05 57.89 2kc0 n THR 90 Cb 0.50 -0.51 0.02 0.00 -2.10 0.00 0.00 70.33 68.24 2kc0 n THR 90 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2kc0 n LEU 91 N 0.81 0.85 -4.43 3.22 -0.00 -1.26 -4.99 117.00 111.21 2kc0 n LEU 91 Ca 0.20 -2.22 -0.40 0.00 -0.00 0.00 0.00 56.01 53.59 2kc0 n LEU 91 Cb 0.62 0.09 -0.11 0.00 -0.00 0.00 0.00 43.42 44.02 2kc0 n LEU 91 CO 0.17 0.73 -0.17 -1.61 -0.00 0.00 0.00 177.39 176.51 2kc0 s GLU 92 N -0.72 3.11 0.06 1.96 8.01 -1.26 -3.06 118.70 126.81 2kc0 s GLU 92 Ca 0.29 -0.88 -0.06 0.00 0.01 0.00 0.00 54.97 54.33 2kc0 s GLU 92 Cb 0.34 -3.70 -0.01 0.00 -4.31 0.00 0.00 34.13 26.45 2kc0 s GLU 92 CO -0.13 -0.56 0.10 -1.12 0.01 0.00 0.00 175.26 173.56 2kc0 s SER 93 N 1.61 0.23 0.00 -0.19 0.01 -1.26 -1.19 113.70 112.90 2kc0 s SER 93 Ca 0.04 -0.68 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2kc0 s SER 93 Cb -0.18 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2kc0 s SER 93 CO 0.07 -0.61 0.00 0.61 0.41 0.00 0.00 173.24 173.72 2kc0 n GLY 94 N 0.31 1.85 3.92 3.44 0.00 -0.81 -4.08 105.19 109.83 2kc0 n GLY 94 Ca -0.16 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 2kc0 n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 95 N -1.07 3.22 -0.27 1.61 2.02 0.37 -0.87 118.70 123.71 2kc0 s GLU 95 Ca 0.00 -0.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.94 2kc0 s GLU 95 Cb 0.00 -2.38 0.12 0.00 0.10 0.00 0.00 34.13 31.96 2kc0 s GLU 95 CO 0.00 -0.39 0.23 0.12 0.02 0.00 0.00 175.26 175.25 2kc0 s PHE 96 N -2.78 -0.21 -0.35 1.61 5.36 -0.43 -1.97 117.98 119.21 2kc0 s PHE 96 Ca 0.50 -0.28 -0.12 0.00 -0.96 0.00 0.00 56.93 56.07 2kc0 s PHE 96 Cb -0.10 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 42.02 2kc0 s PHE 96 CO 0.43 -0.83 0.21 -0.65 -1.46 0.00 0.00 175.22 172.92 2kc0 s GLN 97 N 2.28 3.22 -0.28 10.12 -0.21 -0.62 -2.16 119.66 132.02 2kc0 s GLN 97 Ca 0.09 -0.82 0.02 0.00 0.02 0.00 0.00 55.36 54.67 2kc0 s GLN 97 Cb -0.15 -3.73 0.06 0.00 1.00 0.00 0.00 33.01 30.20 2kc0 s GLN 97 CO -0.30 -0.53 -0.07 0.08 -2.12 0.00 0.00 175.29 172.35 2kc0 s VAL 98 N 1.64 2.36 0.27 1.09 1.01 -1.08 -1.86 120.40 123.83 2kc0 s VAL 98 Ca 0.05 -1.66 -0.17 0.00 0.00 0.00 0.00 61.98 60.20 2kc0 s VAL 98 Cb -0.18 -2.42 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 2kc0 s VAL 98 CO 0.08 -0.11 0.71 -0.47 0.00 0.00 0.00 175.10 175.32 2kc0 s TYR 99 N 1.11 3.50 -0.03 5.22 6.14 -0.24 -1.09 117.35 131.96 2kc0 s TYR 99 Ca -0.06 1.26 -0.01 0.00 0.64 0.00 0.00 57.07 58.90 2kc0 s TYR 99 Cb -0.20 -2.55 0.03 0.00 0.42 0.00 0.00 41.96 39.66 2kc0 s TYR 99 CO -0.04 0.22 0.04 0.15 0.64 0.00 0.00 175.55 176.56 2kc0 s LYS 100 N -2.50 -0.04 -0.04 4.97 3.01 0.05 -2.25 119.74 122.94 2kc0 s LYS 100 Ca 0.48 0.28 -0.19 0.00 -1.01 0.00 0.00 55.97 55.54 2kc0 s LYS 100 Cb -0.13 -0.40 0.04 0.00 -1.01 0.00 0.00 37.83 36.32 2kc0 s LYS 100 CO 0.19 -0.25 0.41 1.14 0.51 0.00 0.00 175.35 177.34 2kc0 s GLN 101 N 1.66 0.74 0.78 1.68 -2.07 -0.98 -1.35 119.66 120.12 2kc0 s GLN 101 Ca -0.02 -0.02 0.00 0.00 -1.82 0.00 0.00 55.36 53.51 2kc0 s GLN 101 Cb -0.12 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 2kc0 s GLN 101 CO -0.03 -0.21 0.00 0.43 -1.32 0.00 0.00 175.29 174.16 2kc0 n SER 102 N 1.33 0.00 0.00 12.60 7.64 -1.26 -2.16 113.62 131.77 2kc0 n SER 102 Ca -0.20 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.68 2kc0 n SER 102 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 2kc0 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kc0 n HIS 103 N 0.00 0.00 -2.73 1.43 1.44 -1.26 -5.06 115.22 109.05 2kc0 n HIS 103 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 2kc0 n HIS 103 Cb 0.00 0.00 0.02 0.00 0.12 0.00 0.00 29.99 30.13 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2kc0 s SER 104 N -0.05 5.84 -0.12 4.39 0.01 -0.92 -4.72 113.70 118.13 2kc0 s SER 104 Ca 0.00 0.56 -0.18 0.00 1.31 0.00 0.00 55.95 57.64 2kc0 s SER 104 Cb 0.00 -1.75 0.04 0.00 0.21 0.00 0.00 66.02 64.53 2kc0 s SER 104 CO 0.00 -0.79 0.47 0.00 0.41 0.00 0.00 173.24 173.33 2kc0 s ALA 105 N -2.74 -1.18 0.08 1.44 0.00 -0.26 -2.33 121.76 116.77 2kc0 s ALA 105 Ca 0.50 1.12 0.05 0.00 0.00 0.00 0.00 51.96 53.62 2kc0 s ALA 105 Cb -0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.51 2kc0 s ALA 105 CO 0.42 -0.26 -0.13 -0.48 0.00 0.00 0.00 175.76 175.31 2kc0 s LEU 106 N -0.32 2.31 0.26 0.00 0.05 -0.95 -0.87 118.68 119.16 2kc0 s LEU 106 Ca -0.05 -0.67 0.09 0.00 0.05 0.00 0.00 54.13 53.55 2kc0 s LEU 106 Cb -0.03 -0.44 -0.04 0.00 -2.05 0.00 0.00 46.19 43.62 2kc0 s LEU 106 CO 0.03 -0.13 0.07 0.28 -0.55 0.00 0.00 176.35 176.04 2kc0 s THR 107 N -1.60 3.80 -0.01 5.48 -1.32 -0.95 -1.08 115.64 119.97 2kc0 s THR 107 Ca -0.00 -1.73 -0.04 0.00 -1.21 0.00 0.00 61.69 58.71 2kc0 s THR 107 Cb -0.08 -3.04 -0.00 0.00 -1.51 0.00 0.00 72.50 67.87 2kc0 s THR 107 CO 0.02 -0.36 0.08 0.00 -2.21 0.00 0.00 174.62 172.15 2kc0 s ALA 108 N -2.24 -0.18 0.04 11.08 0.00 -0.78 -1.19 121.76 128.49 2kc0 s ALA 108 Ca 0.32 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.14 2kc0 s ALA 108 Cb -0.07 0.01 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2kc0 s ALA 108 CO 0.22 -0.13 0.30 -0.06 0.00 0.00 0.00 175.76 176.09 2kc0 s PHE 109 N -0.80 3.56 -0.44 0.00 0.40 -0.02 -1.60 117.98 119.09 2kc0 s PHE 109 Ca -0.09 0.58 0.06 0.00 -0.60 0.00 0.00 56.93 56.87 2kc0 s PHE 109 Cb -0.05 -2.00 0.17 0.00 0.51 0.00 0.00 43.02 41.65 2kc0 s PHE 109 CO 0.00 0.57 0.54 -1.14 0.70 0.00 0.00 175.22 175.89 2kc0 s GLN 110 N -1.98 0.88 0.37 0.44 2.00 -0.83 -1.72 119.66 118.82 2kc0 s GLN 110 Ca 0.31 -1.09 -0.11 0.00 -2.00 0.00 0.00 55.36 52.47 2kc0 s GLN 110 Cb -0.13 -0.49 -0.07 0.00 0.80 0.00 0.00 33.01 33.13 2kc0 s GLN 110 CO 0.19 -1.28 0.74 -0.08 -0.50 0.00 0.00 175.29 174.35 2kc0 s THR 111 N 1.02 4.80 0.12 -0.34 -1.32 -0.95 -0.48 115.64 118.48 2kc0 s THR 111 Ca 0.25 0.61 0.00 0.00 -1.21 0.00 0.00 61.69 61.34 2kc0 s THR 111 Cb -0.04 -3.71 0.00 0.00 -1.51 0.00 0.00 72.50 67.24 2kc0 s THR 111 CO -0.08 -0.43 0.00 -0.62 -2.21 0.00 0.00 174.62 171.28 2kc0 n GLU 112 N -1.07 0.00 -3.89 7.08 1.02 -1.26 -1.37 120.64 121.15 2kc0 n GLU 112 Ca 0.02 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.98 2kc0 n GLU 112 Cb 0.54 -0.30 -0.17 0.00 -0.02 0.00 0.00 31.44 31.49 2kc0 n GLU 112 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kc0 s GLN 113 N -2.00 0.33 0.17 3.49 -0.21 -1.26 -1.42 119.66 118.76 2kc0 s GLN 113 Ca 0.00 0.10 -0.04 0.00 0.02 0.00 0.00 55.36 55.45 2kc0 s GLN 113 Cb 0.00 -0.58 -0.03 0.00 1.00 0.00 0.00 33.01 33.40 2kc0 s GLN 113 CO 0.00 -0.18 0.16 0.96 -2.12 0.00 0.00 175.29 174.11 2kc0 s ILE 114 N 1.28 0.06 0.52 1.08 -4.36 -0.53 -4.48 121.20 114.77 2kc0 s ILE 114 Ca -0.06 -1.78 -0.23 0.00 -0.26 0.00 0.00 60.65 58.32 2kc0 s ILE 114 Cb -0.13 -2.13 -0.06 0.00 1.25 0.00 0.00 42.46 41.39 2kc0 s ILE 114 CO -0.02 -0.27 1.37 -1.10 0.24 0.00 0.00 174.94 175.16 2kc0 s GLN 115 N -4.06 3.30 0.03 0.37 -1.52 -1.17 -0.93 119.66 115.67 2kc0 s GLN 115 Ca 0.26 2.28 0.04 0.00 -1.95 0.00 0.00 55.36 55.99 2kc0 s GLN 115 Cb 0.06 -2.37 -0.02 0.00 -0.22 0.00 0.00 33.01 30.46 2kc0 s GLN 115 CO 0.05 -1.08 -0.11 0.34 -0.25 0.00 0.00 175.29 174.24 2kc0 s ASP 116 N -0.84 1.27 -0.01 5.90 -1.08 0.38 -4.80 116.67 117.48 2kc0 s ASP 116 Ca 0.69 -0.38 0.17 0.00 -0.52 0.00 0.00 52.55 52.51 2kc0 s ASP 116 Cb -0.41 -0.07 -0.21 0.00 -1.46 0.00 0.00 42.92 40.76 2kc0 s ASP 116 CO 0.50 0.00 0.63 -1.20 0.52 0.00 0.00 175.17 175.62 2kc0 n SER 117 N 2.10 0.85 -0.70 -0.34 7.64 -1.26 -2.62 113.62 119.29 2kc0 n SER 117 Ca -0.18 -0.64 0.10 0.00 1.01 0.00 0.00 58.87 59.17 2kc0 n SER 117 Cb 0.55 1.23 0.06 0.00 -1.01 0.00 0.00 64.21 65.04 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kc0 n GLU 118 N -1.61 1.75 0.00 1.43 0.28 -1.26 -3.84 120.64 117.39 2kc0 n GLU 118 Ca 0.01 -1.46 0.11 0.00 -0.16 0.00 0.00 57.16 55.66 2kc0 n GLU 118 Cb 0.32 -1.40 0.04 0.00 1.43 0.00 0.00 31.44 31.83 2kc0 n GLU 118 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kc0 n HIS 119 N 0.74 0.02 -2.54 -1.84 -0.00 -1.26 -5.04 115.22 105.30 2kc0 n HIS 119 Ca 0.11 0.01 -0.02 0.00 0.46 0.00 0.00 57.72 58.27 2kc0 n HIS 119 Cb 0.49 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.22 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kc0 n SER 120 N -1.54 -6.15 -1.47 0.26 2.88 -1.24 -4.56 113.62 101.81 2kc0 n SER 120 Ca 0.04 0.12 -0.07 0.00 -1.33 0.00 0.00 58.87 57.64 2kc0 n SER 120 Cb 0.34 -4.08 0.02 0.00 -0.75 0.00 0.00 64.21 59.75 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kc0 n GLY 121 N -1.07 0.47 2.06 0.46 0.00 -1.08 -5.03 105.19 101.01 2kc0 n GLY 121 Ca 0.03 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 122 N -1.86 0.43 -4.54 1.61 5.02 -1.22 -4.99 118.16 112.62 2kc0 n LYS 122 Ca -0.01 -2.14 -0.32 0.00 -2.02 0.00 0.00 58.31 53.82 2kc0 n LYS 122 Cb 0.52 1.51 -0.11 0.00 -0.02 0.00 0.00 35.03 36.94 2kc0 n LYS 122 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2kc0 s MET 123 N -2.91 2.46 0.03 1.97 -2.45 -1.26 -0.47 119.30 116.67 2kc0 s MET 123 Ca 0.20 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.91 2kc0 s MET 123 Cb 0.01 -2.43 -0.02 0.00 1.25 0.00 0.00 34.83 33.64 2kc0 s MET 123 CO 0.14 0.59 -0.11 0.14 1.05 0.00 0.00 175.02 176.84 2kc0 s VAL 124 N -0.95 0.85 -0.56 10.11 -7.23 -0.11 -4.90 120.40 117.61 2kc0 s VAL 124 Ca 0.16 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 2kc0 s VAL 124 Cb -0.11 -0.80 0.14 0.00 0.56 0.00 0.00 36.38 36.18 2kc0 s VAL 124 CO 0.06 -0.07 0.33 0.00 -0.31 0.00 0.00 175.10 175.11 2kc0 s ALA 125 N -0.85 3.41 -0.29 1.32 0.00 -1.26 -1.45 121.76 122.64 2kc0 s ALA 125 Ca -0.01 -3.24 0.00 0.00 0.00 0.00 0.00 51.96 48.71 2kc0 s ALA 125 Cb -0.07 -2.37 0.06 0.00 0.00 0.00 0.00 23.12 20.74 2kc0 s ALA 125 CO 0.01 -2.04 -0.04 0.15 0.00 0.00 0.00 175.76 173.84 2kc0 s LYS 126 N -0.15 2.33 -0.84 0.00 3.01 -0.51 -4.96 119.74 118.62 2kc0 s LYS 126 Ca 0.17 -1.32 -0.17 0.00 -1.01 0.00 0.00 55.97 53.64 2kc0 s LYS 126 Cb -0.23 -3.08 -0.12 0.00 -1.01 0.00 0.00 37.83 33.39 2kc0 s LYS 126 CO -0.02 -0.62 1.99 0.54 0.51 0.00 0.00 175.35 177.76 2kc0 n ARG 127 N 4.54 1.73 -2.88 1.68 1.74 -1.25 -4.03 116.66 118.19 2kc0 n ARG 127 Ca -0.13 -1.75 -0.43 0.00 -0.77 0.00 0.00 57.85 54.77 2kc0 n ARG 127 Cb 0.43 -2.79 -0.04 0.00 -1.02 0.00 0.00 32.46 29.04 2kc0 n ARG 127 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 2kc0 s GLN 128 N 4.44 3.13 0.01 5.56 -0.44 -0.47 -4.91 119.66 126.98 2kc0 s GLN 128 Ca 0.51 -0.78 -0.18 0.00 -2.50 0.00 0.00 55.36 52.41 2kc0 s GLN 128 Cb 0.13 -4.20 -0.06 0.00 -1.64 0.00 0.00 33.01 27.24 2kc0 s GLN 128 CO 0.06 -1.74 0.51 0.12 0.50 0.00 0.00 175.29 174.75 2kc0 s PHE 129 N 3.94 3.72 0.10 1.67 2.19 -1.26 -2.25 117.98 126.10 2kc0 s PHE 129 Ca 0.22 1.13 -0.07 0.00 0.33 0.00 0.00 56.93 58.54 2kc0 s PHE 129 Cb -0.17 -2.47 -0.01 0.00 -1.31 0.00 0.00 43.02 39.07 2kc0 s PHE 129 CO 0.11 0.50 0.16 0.50 1.83 0.00 0.00 175.22 178.33 2kc0 s ARG 130 N -0.70 0.86 0.76 10.12 6.06 -0.70 -4.71 118.95 130.64 2kc0 s ARG 130 Ca 0.27 -1.06 -0.11 0.00 -2.50 0.00 0.00 55.73 52.34 2kc0 s ARG 130 Cb -0.18 0.32 0.05 0.00 0.06 0.00 0.00 34.95 35.20 2kc0 s ARG 130 CO 0.16 -0.27 1.08 -1.50 -2.50 0.00 0.00 175.30 172.27 2kc0 s ILE 131 N -3.90 3.48 0.00 4.11 1.10 -1.26 -0.84 121.20 123.89 2kc0 s ILE 131 Ca 0.08 0.48 0.00 0.00 -0.51 0.00 0.00 60.65 60.70 2kc0 s ILE 131 Cb 0.05 -3.10 0.00 0.00 0.15 0.00 0.00 42.46 39.56 2kc0 s ILE 131 CO -0.09 -0.63 0.00 0.61 -2.11 0.00 0.00 174.94 172.73 2kc0 n GLY 132 N -1.64 6.30 3.74 1.50 0.00 -0.34 -4.54 105.19 110.21 2kc0 n GLY 132 Ca 0.08 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.81 2kc0 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 133 N 0.52 6.75 -0.36 1.61 1.01 -1.26 -4.72 116.67 120.22 2kc0 s ASP 133 Ca 0.00 2.56 -0.16 0.00 0.71 0.00 0.00 52.55 55.66 2kc0 s ASP 133 Cb 0.00 -2.62 -0.00 0.00 1.01 0.00 0.00 42.92 41.31 2kc0 s ASP 133 CO 0.00 -0.64 0.40 -0.63 0.21 0.00 0.00 175.17 174.51 2kc0 s ILE 134 N 0.10 5.13 -0.15 0.77 -1.09 -1.26 -2.25 121.20 122.45 2kc0 s ILE 134 Ca 0.59 -0.01 -0.09 0.00 -2.23 0.00 0.00 60.65 58.91 2kc0 s ILE 134 Cb -0.40 -3.89 -0.05 0.00 -1.58 0.00 0.00 42.46 36.54 2kc0 s ILE 134 CO 0.41 -0.19 0.16 0.00 -1.23 0.00 0.00 174.94 174.08 2kc0 s ALA 135 N 2.10 3.77 0.00 9.38 0.00 -0.05 -4.99 121.76 131.97 2kc0 s ALA 135 Ca 0.13 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2kc0 s ALA 135 Cb -0.16 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 20.85 2kc0 s ALA 135 CO 0.12 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.67 2kc0 n GLY 136 N 2.75 2.93 3.57 0.00 0.00 -1.26 -1.10 105.19 112.08 2kc0 n GLY 136 Ca -0.17 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 2kc0 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 137 N -2.00 3.02 -0.02 1.61 8.01 -1.26 -4.98 118.70 123.09 2kc0 s GLU 137 Ca 0.00 0.81 -0.30 0.00 0.01 0.00 0.00 54.97 55.49 2kc0 s GLU 137 Cb 0.00 -4.26 -0.05 0.00 -4.31 0.00 0.00 34.13 25.51 2kc0 s GLU 137 CO 0.00 -2.25 1.38 -1.01 0.01 0.00 0.00 175.26 173.38 2kc0 s HIS 138 N 7.60 2.86 0.02 1.61 3.76 -1.26 -3.29 115.29 126.59 2kc0 s HIS 138 Ca 0.67 0.86 0.06 0.00 -0.15 0.00 0.00 55.06 56.49 2kc0 s HIS 138 Cb -0.15 -3.63 -0.02 0.00 1.11 0.00 0.00 32.58 29.89 2kc0 s HIS 138 CO 0.26 -2.32 -0.17 0.95 -0.85 0.00 0.00 174.74 172.61 2kc0 s THR 139 N 2.49 1.38 0.20 1.30 -4.23 -1.24 -4.89 115.64 110.65 2kc0 s THR 139 Ca 0.63 -0.94 -0.32 0.00 -1.18 0.00 0.00 61.69 59.88 2kc0 s THR 139 Cb -0.30 -1.19 -0.11 0.00 1.34 0.00 0.00 72.50 72.24 2kc0 s THR 139 CO 0.25 0.23 1.68 -0.44 -0.54 0.00 0.00 174.62 175.80 2kc0 s SER 140 N -0.83 6.43 0.33 3.99 0.01 -0.74 -3.99 113.70 118.90 2kc0 s SER 140 Ca 0.06 2.81 0.17 0.00 1.31 0.00 0.00 55.95 60.29 2kc0 s SER 140 Cb -0.08 -2.60 0.46 0.00 0.21 0.00 0.00 66.02 64.01 2kc0 s SER 140 CO 0.01 -0.94 1.63 2.19 0.41 0.00 0.00 173.24 176.54 2kc0 h PHE 141 N 6.76 0.00 0.00 2.43 -0.00 -1.91 -3.21 116.94 121.01 2kc0 h PHE 141 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.54 2kc0 h PHE 141 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.15 2kc0 h PHE 141 CO 0.64 0.46 0.00 -3.47 -0.00 0.00 0.00 178.31 175.94 2kc0 n ASP 142 N -3.46 0.00 -0.00 -0.68 2.03 -1.26 -1.79 116.55 111.39 2kc0 n ASP 142 Ca 0.00 -0.82 0.03 0.00 0.52 0.00 0.00 54.79 54.52 2kc0 n ASP 142 Cb 0.60 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 143 N -0.73 2.54 -1.30 -0.67 4.76 -1.21 -5.01 118.16 116.54 2kc0 n LYS 143 Ca 0.06 -0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 2kc0 n LYS 143 Cb 0.03 -0.99 0.12 0.00 -1.84 0.00 0.00 35.03 32.35 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -2.89 2.48 0.86 -0.35 1.02 -0.74 -5.06 118.68 114.00 2kc0 s LEU 144 Ca 0.00 1.51 -0.11 0.00 0.02 0.00 0.00 54.13 55.54 2kc0 s LEU 144 Cb 0.05 -4.02 0.11 0.00 0.02 0.00 0.00 46.19 42.34 2kc0 s LEU 144 CO 0.28 -2.37 1.09 -2.16 0.02 0.00 0.00 176.35 173.22 2kc0 s PRO 145 N -4.98 1.58 -0.29 1.29 0.04 -1.26 -5.00 135.00 126.38 2kc0 s PRO 145 Ca 0.62 0.84 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2kc0 s PRO 145 Cb -0.17 -1.84 0.46 0.00 0.04 0.00 0.00 34.50 32.99 2kc0 s PRO 145 CO 0.56 -2.02 1.34 -1.91 0.04 0.00 0.00 177.00 175.01 2kc0 n GLU 146 N -3.74 2.34 -3.57 4.56 2.13 -1.26 -4.86 120.64 116.25 2kc0 n GLU 146 Ca 0.07 -3.53 -0.09 0.00 0.66 0.00 0.00 57.16 54.27 2kc0 n GLU 146 Cb 0.55 -1.92 -0.04 0.00 0.27 0.00 0.00 31.44 30.30 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kc0 s GLY 147 N -3.05 -0.29 0.00 8.31 0.00 -1.23 -4.04 107.32 107.02 2kc0 s GLY 147 Ca 0.46 1.83 0.00 0.00 0.00 0.00 0.00 44.72 47.00 2kc0 s GLY 147 CO -0.01 0.84 0.00 0.61 0.00 0.00 0.00 173.10 174.54 2kc0 n GLY 148 N 0.44 -0.53 3.31 0.20 0.00 -1.26 -4.63 105.19 102.72 2kc0 n GLY 148 Ca -0.08 -1.79 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 2kc0 n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kc0 s ARG 149 N -1.10 1.22 -0.07 1.61 1.70 -1.26 -0.50 118.95 120.55 2kc0 s ARG 149 Ca 0.00 -1.46 -0.00 0.00 -0.47 0.00 0.00 55.73 53.80 2kc0 s ARG 149 Cb 0.00 -1.07 0.02 0.00 -0.57 0.00 0.00 34.95 33.33 2kc0 s ARG 149 CO 0.00 0.19 -0.04 0.00 -1.08 0.00 0.00 175.30 174.38 2kc0 s ALA 150 N -2.62 0.87 0.36 7.88 0.00 -0.56 -4.95 121.76 122.74 2kc0 s ALA 150 Ca 0.17 -0.22 -0.25 0.00 0.00 0.00 0.00 51.96 51.67 2kc0 s ALA 150 Cb -0.02 -0.68 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 2kc0 s ALA 150 CO 0.05 -0.30 0.98 0.99 0.00 0.00 0.00 175.76 177.48 2kc0 s THR 151 N 1.55 4.10 0.01 0.00 2.01 -1.26 -1.69 115.64 120.35 2kc0 s THR 151 Ca -0.01 1.64 0.02 0.00 0.31 0.00 0.00 61.69 63.66 2kc0 s THR 151 Cb -0.13 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.51 2kc0 s THR 151 CO -0.04 0.04 -0.08 -0.31 -0.69 0.00 0.00 174.62 173.54 2kc0 s TYR 152 N -1.70 0.68 -0.18 4.92 2.02 0.18 -4.60 117.35 118.65 2kc0 s TYR 152 Ca 0.54 -0.21 -0.01 0.00 -0.37 0.00 0.00 57.07 57.02 2kc0 s TYR 152 Cb -0.18 -0.42 0.00 0.00 -0.40 0.00 0.00 41.96 40.96 2kc0 s TYR 152 CO 0.23 -0.02 -0.13 0.50 -1.57 0.00 0.00 175.55 174.56 2kc0 s ARG 153 N -0.52 3.20 0.00 -0.62 3.00 -0.50 -1.92 118.95 121.60 2kc0 s ARG 153 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 55.73 54.00 2kc0 s ARG 153 Cb -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 34.95 32.17 2kc0 s ARG 153 CO 0.00 -0.13 0.00 0.41 0.00 0.00 0.00 175.30 175.58 2kc0 n GLY 154 N 4.48 3.69 3.27 8.12 0.00 -1.15 -1.61 105.19 121.99 2kc0 n GLY 154 Ca -0.19 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.21 2kc0 n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s THR 155 N -2.14 0.02 0.03 2.61 2.01 -0.30 -4.02 115.64 113.84 2kc0 s THR 155 Ca 0.00 -0.13 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2kc0 s THR 155 Cb 0.00 -0.57 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2kc0 s THR 155 CO 0.00 -0.07 0.27 0.00 -0.69 0.00 0.00 174.62 174.13 2kc0 s ALA 156 N -0.28 3.86 -0.19 7.40 0.00 -0.29 -3.36 121.76 128.90 2kc0 s ALA 156 Ca -0.04 -0.60 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 2kc0 s ALA 156 Cb -0.03 -2.05 0.09 0.00 0.00 0.00 0.00 23.12 21.13 2kc0 s ALA 156 CO 0.02 0.67 0.36 -0.59 0.00 0.00 0.00 175.76 176.22 2kc0 s PHE 157 N -1.36 -0.69 0.35 0.00 -0.71 -1.18 -3.78 117.98 110.62 2kc0 s PHE 157 Ca 0.30 1.21 -0.06 0.00 -1.04 0.00 0.00 56.93 57.34 2kc0 s PHE 157 Cb -0.13 0.14 0.02 0.00 -1.21 0.00 0.00 43.02 41.84 2kc0 s PHE 157 CO 0.18 -0.49 0.56 0.20 -1.34 0.00 0.00 175.22 174.33 2kc0 s GLY 158 N 2.54 1.17 0.62 1.99 0.00 -0.87 -0.89 107.32 111.89 2kc0 s GLY 158 Ca 0.02 -1.30 0.36 0.00 0.00 0.00 0.00 44.72 43.80 2kc0 s GLY 158 CO -0.12 -0.81 2.31 1.48 0.00 0.00 0.00 173.10 175.96 2kc0 h SER 159 N 2.08 0.00 0.00 1.64 4.64 -1.94 -2.68 113.55 117.29 2kc0 h SER 159 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2kc0 h SER 159 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2kc0 h SER 159 CO 0.39 0.00 -0.57 -0.90 -0.87 0.00 0.00 176.83 174.88 2kc0 n ASP 160 N -3.54 2.86 -2.83 4.97 5.75 -1.26 -4.83 116.55 117.67 2kc0 n ASP 160 Ca -0.03 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.36 2kc0 n ASP 160 Cb 0.08 0.47 0.04 0.00 -1.03 0.00 0.00 41.12 40.68 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kc0 n ASP 161 N -1.03 7.52 -0.55 -1.12 2.03 -1.22 -4.74 116.55 117.43 2kc0 n ASP 161 Ca 0.00 -3.81 0.00 0.00 0.52 0.00 0.00 54.79 51.50 2kc0 n ASP 161 Cb 0.10 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kc0 n ALA 162 N -0.53 1.71 -1.33 -1.67 0.00 -1.01 -2.05 120.51 115.62 2kc0 n ALA 162 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.99 2kc0 n ALA 162 Cb 0.30 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.75 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kc0 n GLY 163 N 0.32 0.92 3.69 0.00 0.00 -1.25 -4.90 105.19 103.98 2kc0 n GLY 163 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2kc0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 164 N 0.00 1.69 0.06 -0.02 0.00 -1.25 -4.86 107.32 102.94 2kc0 s GLY 164 Ca 0.00 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.26 2kc0 s GLY 164 CO 0.00 0.93 -0.06 0.54 0.00 0.00 0.00 173.10 174.51 2kc0 s LYS 165 N -4.70 0.62 0.06 2.90 -0.14 -0.60 -1.14 119.74 116.73 2kc0 s LYS 165 Ca 0.66 -0.99 -0.06 0.00 -1.36 0.00 0.00 55.97 54.22 2kc0 s LYS 165 Cb -0.22 -0.17 -0.01 0.00 -1.68 0.00 0.00 37.83 35.75 2kc0 s LYS 165 CO 0.58 -0.00 0.11 -0.48 -0.76 0.00 0.00 175.35 174.79 2kc0 s LEU 166 N -2.21 1.79 -0.11 3.17 -0.00 -1.26 -0.95 118.68 119.11 2kc0 s LEU 166 Ca -0.01 -0.65 0.02 0.00 -0.00 0.00 0.00 54.13 53.49 2kc0 s LEU 166 Cb -0.03 0.68 -0.01 0.00 -0.00 0.00 0.00 46.19 46.84 2kc0 s LEU 166 CO -0.03 -0.60 -0.19 -0.89 -0.00 0.00 0.00 176.35 174.64 2kc0 s THR 167 N -3.26 2.46 0.15 5.48 2.01 -1.05 -2.93 115.64 118.50 2kc0 s THR 167 Ca 0.01 -0.87 0.09 0.00 0.31 0.00 0.00 61.69 61.22 2kc0 s THR 167 Cb 0.03 -1.99 -0.04 0.00 0.01 0.00 0.00 72.50 70.51 2kc0 s THR 167 CO -0.08 0.54 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.97 2kc0 s TYR 168 N 0.38 2.62 -0.01 4.92 1.51 -0.81 -2.01 117.35 123.95 2kc0 s TYR 168 Ca -0.15 -0.22 -0.17 0.00 -1.01 0.00 0.00 57.07 55.52 2kc0 s TYR 168 Cb -0.17 -1.32 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 2kc0 s TYR 168 CO 0.07 0.47 0.35 -0.08 -1.11 0.00 0.00 175.55 175.25 2kc0 s THR 169 N -1.49 0.05 -0.08 -0.71 -1.32 -1.05 -0.65 115.64 110.40 2kc0 s THR 169 Ca 0.22 -0.44 -0.02 0.00 -1.21 0.00 0.00 61.69 60.24 2kc0 s THR 169 Cb -0.10 -0.71 0.04 0.00 -1.51 0.00 0.00 72.50 70.22 2kc0 s THR 169 CO 0.14 -0.24 0.05 -0.51 -2.21 0.00 0.00 174.62 171.84 2kc0 s ILE 170 N -1.51 0.04 -0.62 5.08 2.07 -0.68 -2.32 121.20 123.26 2kc0 s ILE 170 Ca -0.12 0.19 -0.27 0.00 -1.41 0.00 0.00 60.65 59.04 2kc0 s ILE 170 Cb -0.04 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.19 2kc0 s ILE 170 CO 0.04 0.09 1.50 -1.81 -1.91 0.00 0.00 174.94 172.84 2kc0 s ASP 171 N 2.10 5.92 0.51 4.50 1.01 -1.22 -1.50 116.67 127.98 2kc0 s ASP 171 Ca 0.04 0.12 0.34 0.00 0.71 0.00 0.00 52.55 53.76 2kc0 s ASP 171 Cb -0.13 -2.55 1.63 0.00 1.01 0.00 0.00 42.92 42.89 2kc0 s ASP 171 CO -0.05 -1.91 2.02 -0.26 0.21 0.00 0.00 175.17 175.18 2kc0 h PHE 172 N 11.79 0.00 0.06 4.23 0.04 -1.06 0.17 116.94 132.17 2kc0 h PHE 172 Ca -0.27 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.26 2kc0 h PHE 172 Cb 1.10 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.25 2kc0 h PHE 172 CO 1.06 0.00 -1.06 0.00 -0.60 0.00 0.00 178.31 177.71 2kc0 h ALA 173 N 2.04 0.27 -0.00 2.45 0.00 -1.70 -3.26 119.26 119.06 2kc0 h ALA 173 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 54.91 54.12 2kc0 h ALA 173 Cb 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2kc0 h ALA 173 CO 0.00 0.91 -0.62 0.00 0.00 0.00 0.00 179.25 179.54 2kc0 n ALA 174 N -2.52 3.84 -2.12 0.00 0.00 -0.61 -4.93 120.51 114.17 2kc0 n ALA 174 Ca -0.07 -0.41 -0.17 0.00 0.00 0.00 0.00 53.44 52.79 2kc0 n ALA 174 Cb 0.91 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.30 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kc0 n LYS 175 N -1.49 -1.74 -4.82 0.00 3.00 0.50 -4.98 118.16 108.63 2kc0 n LYS 175 Ca 0.05 0.90 -0.31 0.00 -0.00 0.00 0.00 58.31 58.96 2kc0 n LYS 175 Cb 0.33 -5.44 -0.17 0.00 0.00 0.00 0.00 35.03 29.75 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2kc0 s GLN 176 N -4.53 2.71 -0.35 1.64 -0.21 -1.23 -4.04 119.66 113.64 2kc0 s GLN 176 Ca 0.00 -0.75 -0.11 0.00 0.02 0.00 0.00 55.36 54.52 2kc0 s GLN 176 Cb 0.00 -2.15 0.01 0.00 1.00 0.00 0.00 33.01 31.87 2kc0 s GLN 176 CO 0.00 0.05 0.19 0.20 -2.12 0.00 0.00 175.29 173.61 2kc0 s GLY 177 N 0.66 1.91 0.49 3.09 0.00 -0.00 -3.45 107.32 110.02 2kc0 s GLY 177 Ca -0.12 -1.58 0.07 0.00 0.00 0.00 0.00 44.72 43.08 2kc0 s GLY 177 CO 0.03 0.79 0.41 0.21 0.00 0.00 0.00 173.10 174.53 2kc0 s ASN 178 N 1.58 4.79 0.03 1.64 3.04 -0.98 -1.62 114.94 123.42 2kc0 s ASN 178 Ca 0.03 -1.03 -0.01 0.00 0.04 0.00 0.00 52.86 51.89 2kc0 s ASN 178 Cb -0.18 -0.01 0.00 0.00 -1.54 0.00 0.00 41.25 39.52 2kc0 s ASN 178 CO 0.07 -0.92 0.07 0.61 -3.04 0.00 0.00 177.10 173.88 2kc0 n GLY 179 N -1.68 2.00 3.61 1.21 0.00 -1.26 -2.52 105.19 106.55 2kc0 n GLY 179 Ca 0.02 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N -2.01 0.87 -0.02 1.61 -2.85 -0.85 -4.22 119.74 112.27 2kc0 s LYS 180 Ca 0.01 0.88 -0.05 0.00 -1.00 0.00 0.00 55.97 55.81 2kc0 s LYS 180 Cb -0.00 0.42 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2kc0 s LYS 180 CO 0.01 -0.14 0.21 0.42 0.10 0.00 0.00 175.35 175.96 2kc0 s ILE 181 N 0.13 5.39 0.17 3.79 -1.09 -0.96 -2.54 121.20 126.09 2kc0 s ILE 181 Ca -0.02 0.03 -0.07 0.00 -2.23 0.00 0.00 60.65 58.36 2kc0 s ILE 181 Cb -0.04 -3.53 0.03 0.00 -1.58 0.00 0.00 42.46 37.34 2kc0 s ILE 181 CO 0.02 0.39 0.38 1.21 -1.23 0.00 0.00 174.94 175.71 2kc0 n GLU 182 N 1.17 0.50 -1.02 2.79 2.13 -0.13 -3.69 120.64 122.41 2kc0 n GLU 182 Ca -0.12 -1.00 -0.01 0.00 0.66 0.00 0.00 57.16 56.69 2kc0 n GLU 182 Cb 0.53 1.25 -0.00 0.00 0.27 0.00 0.00 31.44 33.49 2kc0 n GLU 182 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2kc0 n HIS 183 N -0.26 0.00 -0.80 4.31 -0.00 -1.26 -1.56 115.22 115.65 2kc0 n HIS 183 Ca -0.04 0.00 -0.29 0.00 0.46 0.00 0.00 57.72 57.85 2kc0 n HIS 183 Cb 0.28 -0.65 0.24 0.00 -0.12 0.00 0.00 29.99 29.74 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kc0 s LEU 184 N -0.12 0.43 0.27 0.27 2.01 -1.26 -4.72 118.68 115.56 2kc0 s LEU 184 Ca 0.00 1.00 -0.03 0.00 0.01 0.00 0.00 54.13 55.11 2kc0 s LEU 184 Cb 0.00 -2.79 0.37 0.00 0.01 0.00 0.00 46.19 43.78 2kc0 s LEU 184 CO 0.00 -4.27 1.92 0.11 1.01 0.00 0.00 176.35 175.12 2kc0 h LYS 185 N -2.67 1.20 -5.58 1.70 6.56 -1.98 -3.44 116.57 112.36 2kc0 h LYS 185 Ca -0.51 -0.07 -0.45 0.00 -1.06 0.00 0.00 60.65 58.56 2kc0 h LYS 185 Cb 1.33 -0.27 -0.19 0.00 -0.57 0.00 0.00 32.23 32.53 2kc0 h LYS 185 CO 0.42 0.79 -0.77 -1.12 -2.06 0.00 0.00 179.45 176.71 2kc0 s SER 186 N -6.07 2.17 0.36 0.86 0.01 -1.26 -5.05 113.70 104.70 2kc0 s SER 186 Ca -0.12 -0.80 0.13 0.00 1.31 0.00 0.00 55.95 56.46 2kc0 s SER 186 Cb 0.19 -0.09 0.67 0.00 0.21 0.00 0.00 66.02 66.99 2kc0 s SER 186 CO 0.81 -0.10 1.79 1.55 0.41 0.00 0.00 173.24 177.70 2kc0 h PRO 187 N 3.54 0.00 -1.39 12.44 0.13 -1.99 -3.20 132.00 141.53 2kc0 h PRO 187 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kc0 h PRO 187 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kc0 h PRO 187 CO 0.49 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.06 2kc0 n GLU 188 N -4.02 0.90 0.00 0.86 1.02 -1.26 -1.92 120.64 116.22 2kc0 n GLU 188 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2kc0 n GLU 188 Cb 0.44 -1.05 0.00 0.00 -0.02 0.00 0.00 31.44 30.81 2kc0 n GLU 188 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2kc0 n LEU 189 N 0.87 0.00 -4.71 -4.62 4.77 -1.21 -4.97 117.00 107.13 2kc0 n LEU 189 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 2kc0 n LEU 189 Cb 0.45 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2kc0 n LEU 189 CO 0.00 0.00 0.65 0.20 -1.33 0.00 0.00 177.39 176.91 2kc0 s ASN 190 N 0.00 7.32 0.22 -1.43 0.02 -0.81 -4.92 114.94 115.33 2kc0 s ASN 190 Ca 0.00 1.59 0.01 0.00 -1.02 0.00 0.00 52.86 53.44 2kc0 s ASN 190 Cb 0.00 -2.55 -0.05 0.00 0.02 0.00 0.00 41.25 38.67 2kc0 s ASN 190 CO 0.00 -0.25 0.09 0.68 0.02 0.00 0.00 177.10 177.64 2kc0 s VAL 191 N 1.02 0.39 0.26 1.60 -7.23 -1.24 -4.77 120.40 110.43 2kc0 s VAL 191 Ca 0.50 -1.99 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2kc0 s VAL 191 Cb -0.20 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.20 2kc0 s VAL 191 CO 0.26 -0.12 0.58 -1.81 -0.31 0.00 0.00 175.10 173.71 2kc0 s ASP 192 N -3.23 6.62 -0.09 4.85 1.01 -1.25 -2.27 116.67 122.31 2kc0 s ASP 192 Ca 0.35 0.95 0.01 0.00 0.71 0.00 0.00 52.55 54.57 2kc0 s ASP 192 Cb 0.07 -2.24 -0.02 0.00 1.01 0.00 0.00 42.92 41.74 2kc0 s ASP 192 CO 0.11 -0.12 -0.11 -0.76 0.21 0.00 0.00 175.17 174.50 2kc0 s LEU 193 N -2.97 2.91 -0.32 1.23 1.02 -1.26 -2.39 118.68 116.90 2kc0 s LEU 193 Ca 0.48 -0.17 -0.28 0.00 0.02 0.00 0.00 54.13 54.18 2kc0 s LEU 193 Cb -0.11 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.48 2kc0 s LEU 193 CO 0.22 0.28 1.03 0.00 0.02 0.00 0.00 176.35 177.91 2kc0 s ALA 194 N -0.34 3.50 -0.40 4.21 0.00 -0.27 -4.47 121.76 123.98 2kc0 s ALA 194 Ca 0.04 -0.12 -0.41 0.00 0.00 0.00 0.00 51.96 51.46 2kc0 s ALA 194 Cb -0.13 -3.62 -0.16 0.00 0.00 0.00 0.00 23.12 19.21 2kc0 s ALA 194 CO 0.02 -1.46 1.92 0.00 0.00 0.00 0.00 175.76 176.25 2kc0 n ALA 195 N 6.78 -0.01 -2.76 0.00 0.00 -1.26 -3.97 120.51 119.29 2kc0 n ALA 195 Ca 0.11 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.50 2kc0 n ALA 195 Cb 0.47 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.65 2kc0 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 s ALA 196 N 4.95 3.51 0.37 0.00 0.00 -0.64 -4.90 121.76 125.04 2kc0 s ALA 196 Ca 1.08 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 52.10 2kc0 s ALA 196 Cb -1.22 -1.40 -0.04 0.00 0.00 0.00 0.00 23.12 20.46 2kc0 s ALA 196 CO 0.65 0.73 0.20 0.16 0.00 0.00 0.00 175.76 177.51 2kc0 s ASP 197 N -2.27 4.71 0.03 0.00 -4.77 -1.26 -0.82 116.67 112.28 2kc0 s ASP 197 Ca 0.28 -0.84 -0.30 0.00 -3.30 0.00 0.00 52.55 48.38 2kc0 s ASP 197 Cb -0.12 -0.65 -0.06 0.00 -1.09 0.00 0.00 42.92 41.01 2kc0 s ASP 197 CO 0.20 -0.43 1.31 -0.63 0.70 0.00 0.00 175.17 176.32 2kc0 s ILE 198 N -2.48 3.81 0.03 2.11 -1.09 -1.26 -3.88 121.20 118.44 2kc0 s ILE 198 Ca 0.41 1.25 0.02 0.00 -2.23 0.00 0.00 60.65 60.10 2kc0 s ILE 198 Cb -0.01 -3.80 -0.04 0.00 -1.58 0.00 0.00 42.46 37.03 2kc0 s ILE 198 CO 0.24 0.05 0.01 -0.54 -1.23 0.00 0.00 174.94 173.47 2kc0 s LYS 199 N 1.71 2.76 -1.46 2.79 1.02 -1.23 -5.05 119.74 120.27 2kc0 s LYS 199 Ca 0.61 -0.66 -0.11 0.00 0.02 0.00 0.00 55.97 55.83 2kc0 s LYS 199 Cb -0.31 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 2kc0 s LYS 199 CO 0.27 0.60 2.38 -0.35 -0.92 0.00 0.00 175.35 177.33 2kc0 n PRO 200 N 1.11 3.35 0.00 -1.68 -0.04 -1.26 -4.47 135.00 132.01 2kc0 n PRO 200 Ca -0.13 -2.73 0.00 0.00 -0.04 0.00 0.00 63.50 60.60 2kc0 n PRO 200 Cb 0.52 -3.05 0.00 0.00 -0.04 0.00 0.00 33.50 30.94 2kc0 n PRO 200 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kc0 n ASP 201 N 4.70 0.00 -4.70 3.54 -0.08 -1.26 -4.99 116.55 113.77 2kc0 n ASP 201 Ca 0.58 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.44 2kc0 n ASP 201 Cb 0.33 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.76 2kc0 n ASP 201 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 2kc0 s GLY 202 N 0.00 2.47 0.00 0.27 0.00 -1.17 -4.93 107.32 103.96 2kc0 s GLY 202 Ca 0.00 0.53 0.18 0.00 0.00 0.00 0.00 44.72 45.43 2kc0 s GLY 202 CO 0.00 1.93 1.52 0.58 0.00 0.00 0.00 173.10 177.12 2kc0 n LYS 203 N 4.59 0.34 0.00 2.90 2.85 -1.26 -2.94 118.16 124.64 2kc0 n LYS 203 Ca 0.08 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2kc0 n LYS 203 Cb 0.49 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.37 2kc0 n LYS 203 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2kc0 n ARG 204 N -1.20 4.16 -3.64 -1.58 0.00 -1.26 -4.91 116.66 108.23 2kc0 n ARG 204 Ca 0.10 -0.03 -0.08 0.00 -0.00 0.00 0.00 57.85 57.84 2kc0 n ARG 204 Cb 0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 32.46 32.13 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2kc0 s HIS 205 N -0.60 -0.48 0.11 -0.14 5.04 -1.15 -1.79 115.29 116.27 2kc0 s HIS 205 Ca 0.00 1.13 0.02 0.00 -1.54 0.00 0.00 55.06 54.67 2kc0 s HIS 205 Cb 0.00 0.37 0.02 0.00 0.04 0.00 0.00 32.58 33.00 2kc0 s HIS 205 CO 0.00 -0.23 0.13 0.00 -2.34 0.00 0.00 174.74 172.30 2kc0 n ALA 206 N 2.45 0.21 -3.07 1.58 0.00 -1.26 -3.04 120.51 117.38 2kc0 n ALA 206 Ca -0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 53.44 52.79 2kc0 n ALA 206 Cb 0.56 0.13 -0.11 0.00 0.00 0.00 0.00 19.45 20.03 2kc0 n ALA 206 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kc0 s VAL 207 N 0.08 0.07 -0.14 0.00 1.01 -1.26 -4.47 120.40 115.69 2kc0 s VAL 207 Ca 0.10 -0.58 0.02 0.00 0.00 0.00 0.00 61.98 61.52 2kc0 s VAL 207 Cb -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2kc0 s VAL 207 CO 0.06 -0.32 -0.20 -0.63 0.00 0.00 0.00 175.10 174.02 2kc0 s ILE 208 N -1.11 2.31 -0.05 2.22 -1.09 -0.56 -3.56 121.20 119.36 2kc0 s ILE 208 Ca -0.12 -0.90 -0.02 0.00 -2.23 0.00 0.00 60.65 57.38 2kc0 s ILE 208 Cb -0.07 -1.93 0.04 0.00 -1.58 0.00 0.00 42.46 38.92 2kc0 s ILE 208 CO 0.01 0.54 0.11 -0.55 -1.23 0.00 0.00 174.94 173.82 2kc0 s SER 209 N 0.70 0.08 0.00 3.58 0.15 -1.25 -2.06 113.70 114.89 2kc0 s SER 209 Ca -0.09 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2kc0 s SER 209 Cb -0.16 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 2kc0 s SER 209 CO 0.01 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2kc0 n GLY 210 N 4.36 4.18 3.72 9.45 0.00 -0.74 -4.44 105.19 121.72 2kc0 n GLY 210 Ca -0.24 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 2kc0 n GLY 210 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kc0 s SER 211 N -0.54 5.21 -0.31 1.61 0.01 -1.25 -1.49 113.70 116.92 2kc0 s SER 211 Ca 0.00 -0.11 0.02 0.00 1.31 0.00 0.00 55.95 57.16 2kc0 s SER 211 Cb 0.00 -1.30 0.09 0.00 0.21 0.00 0.00 66.02 65.02 2kc0 s SER 211 CO 0.00 0.18 0.06 -0.69 0.41 0.00 0.00 173.24 173.19 2kc0 s VAL 212 N -1.33 1.62 -0.50 3.43 1.01 -0.81 -1.12 120.40 122.70 2kc0 s VAL 212 Ca 0.27 -1.82 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 2kc0 s VAL 212 Cb -0.12 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2kc0 s VAL 212 CO 0.19 -0.57 0.49 -0.22 0.00 0.00 0.00 175.10 175.00 2kc0 s LEU 213 N 1.25 5.46 -0.45 3.92 0.20 -1.00 -1.65 118.68 126.41 2kc0 s LEU 213 Ca 0.08 -1.25 -0.18 0.00 0.69 0.00 0.00 54.13 53.47 2kc0 s LEU 213 Cb -0.18 -2.27 0.03 0.00 -0.43 0.00 0.00 46.19 43.34 2kc0 s LEU 213 CO -0.15 -0.77 0.51 -0.47 -0.29 0.00 0.00 176.35 175.18 2kc0 s TYR 214 N 2.00 3.13 -1.47 5.38 6.14 -0.12 -3.79 117.35 128.61 2kc0 s TYR 214 Ca 0.08 -0.40 -0.12 0.00 0.64 0.00 0.00 57.07 57.26 2kc0 s TYR 214 Cb -0.23 -3.12 0.09 0.00 0.42 0.00 0.00 41.96 39.11 2kc0 s TYR 214 CO 0.08 -0.81 0.73 -1.71 0.64 0.00 0.00 175.55 174.49 2kc0 n ASN 215 N 5.80 -4.24 -3.77 4.32 5.15 -1.26 -1.19 115.26 120.06 2kc0 n ASN 215 Ca -0.07 -0.63 -0.27 0.00 -0.60 0.00 0.00 54.58 53.01 2kc0 n ASN 215 Cb 0.47 -3.44 0.05 0.00 -0.53 0.00 0.00 39.78 36.33 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kc0 n GLN 216 N -4.22 -6.67 0.09 1.20 1.13 -1.25 -4.78 117.38 102.89 2kc0 n GLN 216 Ca 0.02 0.70 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 2kc0 n GLN 216 Cb 0.53 -5.68 0.00 0.00 0.11 0.00 0.00 30.24 25.21 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 n ALA 217 N -4.84 1.88 -1.72 -1.58 0.00 -0.55 -5.15 120.51 108.56 2kc0 n ALA 217 Ca 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.16 2kc0 n ALA 217 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 2kc0 n ALA 217 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kc0 s GLU 218 N -1.50 3.23 -0.46 0.00 2.56 -0.34 -4.72 118.70 117.46 2kc0 s GLU 218 Ca 0.00 0.84 0.03 0.00 0.00 0.00 0.00 54.97 55.84 2kc0 s GLU 218 Cb 0.00 -2.03 0.14 0.00 2.00 0.00 0.00 34.13 34.24 2kc0 s GLU 218 CO 0.00 -0.86 0.27 0.21 -0.56 0.00 0.00 175.26 174.31 2kc0 s LYS 219 N -5.12 1.39 0.55 4.30 2.20 -1.26 -0.95 119.74 120.86 2kc0 s LYS 219 Ca 0.57 -2.14 0.06 0.00 -0.36 0.00 0.00 55.97 54.09 2kc0 s LYS 219 Cb -0.13 -2.41 0.10 0.00 -1.51 0.00 0.00 37.83 33.89 2kc0 s LYS 219 CO 0.54 -1.18 0.76 0.41 -0.36 0.00 0.00 175.35 175.53 2kc0 n GLY 220 N 3.36 1.55 3.12 5.54 0.00 -0.66 -3.90 105.19 114.21 2kc0 n GLY 220 Ca 0.11 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.85 2kc0 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 221 N -4.31 -0.33 0.11 1.61 1.04 0.21 -1.92 113.70 110.10 2kc0 s SER 221 Ca 0.55 0.62 0.09 0.00 0.48 0.00 0.00 55.95 57.70 2kc0 s SER 221 Cb -0.04 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 2kc0 s SER 221 CO 0.36 -0.16 -0.23 -0.72 0.98 0.00 0.00 173.24 173.46 2kc0 s TYR 222 N 1.12 2.01 -0.12 5.02 1.13 -0.56 -1.06 117.35 124.89 2kc0 s TYR 222 Ca -0.08 -0.40 -0.09 0.00 -1.41 0.00 0.00 57.07 55.09 2kc0 s TYR 222 Cb -0.09 -1.10 0.04 0.00 -1.10 0.00 0.00 41.96 39.71 2kc0 s TYR 222 CO -0.08 0.25 0.31 0.45 -2.51 0.00 0.00 175.55 173.97 2kc0 s SER 223 N -1.91 -0.33 0.15 -0.18 0.15 -0.04 -1.79 113.70 109.74 2kc0 s SER 223 Ca 0.10 0.63 -0.21 0.00 0.70 0.00 0.00 55.95 57.17 2kc0 s SER 223 Cb -0.10 0.60 0.06 0.00 -1.71 0.00 0.00 66.02 64.87 2kc0 s SER 223 CO 0.05 -0.13 0.54 -1.48 1.20 0.00 0.00 173.24 173.42 2kc0 s LEU 224 N 0.53 -0.27 0.37 3.45 0.05 -0.88 -0.96 118.68 120.98 2kc0 s LEU 224 Ca -0.03 -0.10 0.08 0.00 0.05 0.00 0.00 54.13 54.13 2kc0 s LEU 224 Cb -0.05 2.36 -0.04 0.00 -2.05 0.00 0.00 46.19 46.42 2kc0 s LEU 224 CO -0.03 -0.93 0.20 -0.83 -0.55 0.00 0.00 176.35 174.21 2kc0 s GLY 225 N -2.77 2.08 -0.14 -3.48 0.00 -0.70 -1.49 107.32 100.83 2kc0 s GLY 225 Ca 0.02 -1.91 -0.15 0.00 0.00 0.00 0.00 44.72 42.68 2kc0 s GLY 225 CO -0.13 -1.78 0.35 -0.42 0.00 0.00 0.00 173.10 171.12 2kc0 s ILE 226 N -2.48 5.26 0.11 0.90 -1.09 -1.26 -3.10 121.20 119.54 2kc0 s ILE 226 Ca 0.41 0.67 0.09 0.00 -2.23 0.00 0.00 60.65 59.59 2kc0 s ILE 226 Cb -0.01 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 37.15 2kc0 s ILE 226 CO 0.24 0.39 -0.24 -0.36 -1.23 0.00 0.00 174.94 173.74 2kc0 s PHE 227 N 0.37 2.06 0.00 3.97 0.08 -0.95 -4.34 117.98 119.16 2kc0 s PHE 227 Ca 0.20 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.85 2kc0 s PHE 227 Cb -0.14 -1.14 0.00 0.00 -0.57 0.00 0.00 43.02 41.18 2kc0 s PHE 227 CO 0.06 0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.84 2kc0 n GLY 228 N 1.11 -1.63 0.11 4.36 0.00 -1.21 -2.38 105.19 105.55 2kc0 n GLY 228 Ca -0.18 -1.53 -0.03 0.00 0.00 0.00 0.00 46.02 44.27 2kc0 n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kc0 h GLY 229 N 0.00 -0.23 -4.00 -0.02 0.00 -1.98 -3.37 103.07 93.47 2kc0 h GLY 229 Ca 0.00 0.08 -0.38 0.00 0.00 0.00 0.00 47.33 47.04 2kc0 h GLY 229 CO 0.00 -0.08 0.30 0.28 0.00 0.00 0.00 176.54 177.03 2kc0 n LYS 230 N -3.89 2.07 -3.81 4.80 5.02 -1.26 -4.83 118.16 116.26 2kc0 n LYS 230 Ca -0.03 -1.79 -0.32 0.00 -2.02 0.00 0.00 58.31 54.14 2kc0 n LYS 230 Cb 0.09 -1.87 0.02 0.00 -0.02 0.00 0.00 35.03 33.24 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 n ALA 231 N 0.88 -2.65 0.03 7.82 0.00 -1.26 -4.91 120.51 120.42 2kc0 n ALA 231 Ca 0.39 -0.36 -0.07 0.00 0.00 0.00 0.00 53.44 53.40 2kc0 n ALA 231 Cb 0.60 -2.33 0.10 0.00 0.00 0.00 0.00 19.45 17.82 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kc0 h GLN 232 N -1.48 0.44 -3.18 0.00 1.08 -1.78 -3.46 115.11 106.73 2kc0 h GLN 232 Ca -0.62 -0.26 0.02 0.00 -1.45 0.00 0.00 58.65 56.34 2kc0 h GLN 232 Cb 1.36 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 28.74 2kc0 h GLN 232 CO 0.44 0.85 0.12 -1.83 -0.95 0.00 0.00 178.83 177.46 2kc0 s GLU 233 N -4.01 1.62 -0.02 1.46 -1.05 -1.24 -2.42 118.70 113.03 2kc0 s GLU 233 Ca -0.06 -0.97 0.00 0.00 -0.15 0.00 0.00 54.97 53.79 2kc0 s GLU 233 Cb 0.12 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.40 2kc0 s GLU 233 CO 0.82 -0.72 0.01 0.14 0.95 0.00 0.00 175.26 176.47 2kc0 s VAL 234 N -3.91 0.03 0.04 1.83 -7.23 -0.63 -2.25 120.40 108.28 2kc0 s VAL 234 Ca 0.12 0.13 -0.09 0.00 -1.81 0.00 0.00 61.98 60.33 2kc0 s VAL 234 Cb -0.04 -0.13 0.00 0.00 0.56 0.00 0.00 36.38 36.77 2kc0 s VAL 234 CO 0.04 0.09 0.18 0.00 -0.31 0.00 0.00 175.10 175.10 2kc0 s ALA 235 N 0.84 -0.31 0.00 1.32 0.00 -1.18 -2.49 121.76 119.94 2kc0 s ALA 235 Ca -0.07 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2kc0 s ALA 235 Cb -0.11 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2kc0 s ALA 235 CO -0.02 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2kc0 n GLY 236 N 0.66 -0.50 3.47 0.00 0.00 -1.12 -1.72 105.19 105.98 2kc0 n GLY 236 Ca -0.19 0.12 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2kc0 n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kc0 s SER 237 N -4.00 -0.60 -0.08 1.61 0.15 -0.13 -1.42 113.70 109.23 2kc0 s SER 237 Ca 0.00 0.41 0.03 0.00 0.70 0.00 0.00 55.95 57.09 2kc0 s SER 237 Cb 0.00 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.87 2kc0 s SER 237 CO 0.00 -0.74 -0.15 0.00 1.20 0.00 0.00 173.24 173.55 2kc0 s ALA 238 N -2.19 1.52 -0.10 5.45 0.00 0.05 -0.86 121.76 125.64 2kc0 s ALA 238 Ca -0.06 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2kc0 s ALA 238 Cb -0.00 -0.66 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2kc0 s ALA 238 CO 0.01 0.12 -0.20 -1.21 0.00 0.00 0.00 175.76 174.48 2kc0 s GLU 239 N 0.65 3.02 -0.01 0.00 2.02 -0.23 -0.56 118.70 123.59 2kc0 s GLU 239 Ca -0.14 -0.82 0.03 0.00 0.02 0.00 0.00 54.97 54.06 2kc0 s GLU 239 Cb -0.16 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.69 2kc0 s GLU 239 CO 0.04 0.26 -0.10 0.54 0.02 0.00 0.00 175.26 176.02 2kc0 s VAL 240 N 0.18 0.78 -0.12 2.63 0.11 -0.32 -0.62 120.40 123.03 2kc0 s VAL 240 Ca -0.12 -0.43 -0.05 0.00 -2.93 0.00 0.00 61.98 58.46 2kc0 s VAL 240 Cb -0.16 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.00 2kc0 s VAL 240 CO 0.07 0.22 0.05 -1.59 -3.33 0.00 0.00 175.10 170.51 2kc0 s LYS 241 N -0.24 3.41 0.22 1.54 0.00 -1.25 -0.58 119.74 122.84 2kc0 s LYS 241 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 55.97 55.69 2kc0 s LYS 241 Cb -0.04 -3.01 -0.05 0.00 0.00 0.00 0.00 37.83 34.73 2kc0 s LYS 241 CO -0.00 0.57 0.05 0.99 0.00 0.00 0.00 175.35 176.96 2kc0 s THR 242 N -0.49 0.66 0.54 3.79 2.01 0.19 -4.11 115.64 118.23 2kc0 s THR 242 Ca 0.10 -2.00 0.27 0.00 0.31 0.00 0.00 61.69 60.38 2kc0 s THR 242 Cb -0.12 -2.40 0.42 0.00 0.01 0.00 0.00 72.50 70.41 2kc0 s THR 242 CO 0.02 -0.22 1.96 1.62 -0.69 0.00 0.00 174.62 177.31 2kc0 h VAL 243 N 2.52 0.64 0.00 3.82 3.04 -2.02 0.12 116.25 124.37 2kc0 h VAL 243 Ca -0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 2kc0 h VAL 243 Cb 1.23 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2kc0 h VAL 243 CO 0.62 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.77 2kc0 n ASN 244 N -4.26 0.00 0.00 3.17 3.02 -1.26 -5.03 115.26 110.89 2kc0 n ASN 244 Ca 0.12 -0.80 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2kc0 n ASN 244 Cb 0.70 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 2kc0 n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kc0 n GLY 245 N 0.38 -1.72 3.81 7.41 0.00 0.43 -4.99 105.19 110.50 2kc0 n GLY 245 Ca 0.15 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 2kc0 n GLY 245 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kc0 s ILE 246 N 0.00 4.16 -0.03 -0.61 1.10 -1.26 -0.63 121.20 123.92 2kc0 s ILE 246 Ca 0.00 1.40 0.02 0.00 -0.51 0.00 0.00 60.65 61.57 2kc0 s ILE 246 Cb 0.00 -3.60 0.01 0.00 0.15 0.00 0.00 42.46 39.02 2kc0 s ILE 246 CO 0.00 -0.23 -0.09 -0.13 -2.11 0.00 0.00 174.94 172.38 2kc0 s ARG 247 N -3.04 1.06 -0.14 3.50 1.81 0.25 -4.95 118.95 117.43 2kc0 s ARG 247 Ca 0.62 -0.31 -0.08 0.00 -1.72 0.00 0.00 55.73 54.24 2kc0 s ARG 247 Cb -0.13 -0.97 -0.04 0.00 -0.45 0.00 0.00 34.95 33.36 2kc0 s ARG 247 CO 0.17 0.09 0.15 -1.01 -0.68 0.00 0.00 175.30 174.02 2kc0 s HIS 248 N 0.31 3.54 -0.05 -0.53 3.76 -1.26 -1.18 115.29 119.88 2kc0 s HIS 248 Ca -0.05 0.48 0.01 0.00 -0.15 0.00 0.00 55.06 55.35 2kc0 s HIS 248 Cb -0.10 -2.03 0.02 0.00 1.11 0.00 0.00 32.58 31.58 2kc0 s HIS 248 CO 0.01 0.58 -0.06 0.42 -0.85 0.00 0.00 174.74 174.84 2kc0 s ILE 249 N -0.54 0.68 0.29 0.60 1.01 0.27 -4.20 121.20 119.31 2kc0 s ILE 249 Ca 0.13 -0.20 -0.29 0.00 0.00 0.00 0.00 60.65 60.30 2kc0 s ILE 249 Cb -0.12 -0.69 -0.09 0.00 0.01 0.00 0.00 42.46 41.57 2kc0 s ILE 249 CO 0.02 0.26 1.03 -0.83 0.00 0.00 0.00 174.94 175.43 2kc0 s GLY 250 N 0.95 3.01 -0.20 6.18 0.00 -0.07 -0.77 107.32 116.43 2kc0 s GLY 250 Ca -0.10 0.76 -0.11 0.00 0.00 0.00 0.00 44.72 45.27 2kc0 s GLY 250 CO 0.00 1.32 0.17 1.08 0.00 0.00 0.00 173.10 175.67 2kc0 s LEU 251 N -1.60 4.20 -0.12 0.66 2.01 -0.51 -3.57 118.68 119.76 2kc0 s LEU 251 Ca 0.46 0.26 -0.04 0.00 0.01 0.00 0.00 54.13 54.83 2kc0 s LEU 251 Cb -0.28 -2.15 0.05 0.00 0.01 0.00 0.00 46.19 43.82 2kc0 s LEU 251 CO 0.35 0.14 0.09 0.00 1.01 0.00 0.00 176.35 177.94 2kc0 s ALA 252 N 0.52 0.29 -0.05 4.21 0.00 -1.21 -2.81 121.76 122.71 2kc0 s ALA 252 Ca 0.10 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.92 2kc0 s ALA 252 Cb -0.12 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.15 2kc0 s ALA 252 CO 0.00 -0.87 0.23 0.00 0.00 0.00 0.00 175.76 175.12 2kc0 s ALA 253 N 2.17 -0.57 0.12 0.00 0.00 -1.04 -1.15 121.76 121.28 2kc0 s ALA 253 Ca 0.03 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.22 2kc0 s ALA 253 Cb -0.14 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2kc0 s ALA 253 CO -0.07 -0.18 0.33 0.21 0.00 0.00 0.00 175.76 176.05 2kc0 s LYS 254 N -0.68 1.01 0.00 0.00 2.20 -0.63 -1.60 119.74 120.03 2kc0 s LYS 254 Ca -0.08 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 2kc0 s LYS 254 Cb -0.04 0.42 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 2kc0 s LYS 254 CO 0.02 -0.37 0.38 0.94 -0.36 0.00 0.00 175.35 175.95