#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 0.00 0.35 0.00 0.00 -1.26 -2.86 105.19 101.42 2kc0 n GLY 15 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2kc0 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kc0 h LEU 16 N 0.00 0.91 -1.09 0.99 3.38 -1.96 -1.53 115.31 116.01 2kc0 h LEU 16 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2kc0 h LEU 16 Cb 0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2kc0 h LEU 16 CO 0.00 0.55 0.16 0.00 0.09 0.00 0.00 178.44 179.24 2kc0 h ALA 17 N 1.46 1.27 0.09 1.53 0.00 -1.72 -2.62 119.26 119.27 2kc0 h ALA 17 Ca 0.43 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2kc0 h ALA 17 Cb 0.26 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2kc0 h ALA 17 CO -0.20 0.52 -0.04 0.22 0.00 0.00 0.00 179.25 179.74 2kc0 h ASP 18 N 0.79 -0.10 0.19 0.00 3.58 -1.71 -3.05 116.42 116.11 2kc0 h ASP 18 Ca 0.18 -0.33 0.00 0.00 0.42 0.00 0.00 57.03 57.30 2kc0 h ASP 18 Cb 0.24 0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.32 2kc0 h ASP 18 CO -0.01 0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.64 2kc0 h ALA 19 N 0.35 1.00 -0.00 -0.78 0.00 -1.18 0.19 119.26 118.84 2kc0 h ALA 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kc0 h ALA 19 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kc0 h ALA 19 CO 0.02 0.00 -0.87 1.28 0.00 0.00 0.00 179.25 179.68 2kc0 n LEU 20 N -2.32 0.87 0.00 0.00 7.99 -1.00 -4.40 117.00 118.14 2kc0 n LEU 20 Ca -0.01 -0.37 0.00 0.00 -0.01 0.00 0.00 56.01 55.62 2kc0 n LEU 20 Cb 0.09 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.33 2kc0 n LEU 20 CO 0.13 0.22 -0.31 0.35 -1.51 0.00 0.00 177.39 176.27 2kc0 n THR 21 N -1.49 0.00 -3.78 -5.08 -2.24 -0.24 -4.81 114.28 96.64 2kc0 n THR 21 Ca 0.04 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.58 2kc0 n THR 21 Cb 0.33 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 2kc0 n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kc0 s ALA 22 N -1.53 -0.51 0.92 6.98 0.00 0.51 -5.09 121.76 123.04 2kc0 s ALA 22 Ca 0.00 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 2kc0 s ALA 22 Cb 0.00 0.46 0.14 0.00 0.00 0.00 0.00 23.12 23.73 2kc0 s ALA 22 CO 0.00 -0.50 1.16 -1.25 0.00 0.00 0.00 175.76 175.17 2kc0 s PRO 23 N -3.37 1.10 0.57 0.00 0.04 -1.26 -4.09 135.00 127.99 2kc0 s PRO 23 Ca 0.01 0.18 0.08 0.00 0.04 0.00 0.00 61.00 61.30 2kc0 s PRO 23 Cb 0.02 -1.84 0.08 0.00 0.04 0.00 0.00 34.50 32.79 2kc0 s PRO 23 CO -0.08 -2.20 0.63 1.28 0.04 0.00 0.00 177.00 176.66 2kc0 n LEU 24 N -3.75 0.00 -4.78 -3.56 7.99 -1.26 -4.93 117.00 106.71 2kc0 n LEU 24 Ca 0.08 -2.67 -0.36 0.00 -0.01 0.00 0.00 56.01 53.05 2kc0 n LEU 24 Cb 0.60 -0.25 -0.01 0.00 -0.11 0.00 0.00 43.42 43.64 2kc0 n LEU 24 CO 0.55 -0.66 0.79 -1.81 -1.51 0.00 0.00 177.39 174.76 2kc0 s ASP 25 N -4.44 6.17 0.07 -1.43 1.11 -1.26 -4.98 116.67 111.91 2kc0 s ASP 25 Ca 0.47 2.18 0.25 0.00 0.18 0.00 0.00 52.55 55.63 2kc0 s ASP 25 Cb -0.04 -2.59 0.44 0.00 1.07 0.00 0.00 42.92 41.81 2kc0 s ASP 25 CO 0.30 -0.91 1.38 1.41 1.18 0.00 0.00 175.17 178.53 2kc0 n HIS 26 N -0.69 0.33 0.00 4.23 8.25 -1.26 -4.77 115.22 121.31 2kc0 n HIS 26 Ca 0.08 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2kc0 n HIS 26 Cb 0.50 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.10 2kc0 n HIS 26 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kc0 n LYS 27 N -1.87 0.00 0.00 -0.41 5.02 -1.26 -4.70 118.16 114.94 2kc0 n LYS 27 Ca 0.04 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 2kc0 n LYS 27 Cb 0.40 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2kc0 n ASP 28 N -0.75 0.00 -1.66 4.39 2.03 -1.26 -5.07 116.55 114.23 2kc0 n ASP 28 Ca 0.00 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.28 2kc0 n ASP 28 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2kc0 n ASP 28 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2kc0 n LYS 29 N 0.00 1.22 0.00 -0.67 4.76 -1.26 -4.89 118.16 117.32 2kc0 n LYS 29 Ca 0.00 -0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.18 2kc0 n LYS 29 Cb 0.00 -1.29 0.00 0.00 -1.84 0.00 0.00 35.03 31.90 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kc0 n GLY 30 N 1.80 -1.90 3.55 0.72 0.00 -1.26 -3.94 105.19 104.15 2kc0 n GLY 30 Ca 0.11 -1.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 3.26 0.00 0.99 0.20 -1.26 -4.65 118.68 117.23 2kc0 s LEU 31 Ca 0.00 -0.74 0.26 0.00 0.69 0.00 0.00 54.13 54.35 2kc0 s LEU 31 Cb 0.00 -2.56 1.56 0.00 -0.43 0.00 0.00 46.19 44.75 2kc0 s LEU 31 CO 0.00 -1.74 1.93 0.00 -0.29 0.00 0.00 176.35 176.25 2kc0 n GLN 32 N 9.23 0.78 -3.90 1.98 6.02 -1.26 -4.63 117.38 125.60 2kc0 n GLN 32 Ca 0.12 0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.96 2kc0 n GLN 32 Cb 0.50 -1.50 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 2kc0 n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kc0 s SER 33 N -2.06 0.24 -0.33 1.08 0.15 -1.26 -0.91 113.70 110.61 2kc0 s SER 33 Ca 0.38 -0.01 -0.11 0.00 0.70 0.00 0.00 55.95 56.91 2kc0 s SER 33 Cb 0.18 -0.10 -0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2kc0 s SER 33 CO 0.32 -0.06 0.19 -0.22 1.20 0.00 0.00 173.24 174.67 2kc0 s LEU 34 N 0.60 4.33 -0.16 3.45 1.98 -0.26 -4.95 118.68 123.68 2kc0 s LEU 34 Ca -0.06 -0.57 -0.07 0.00 -2.89 0.00 0.00 54.13 50.54 2kc0 s LEU 34 Cb -0.08 -2.05 -0.04 0.00 0.66 0.00 0.00 46.19 44.68 2kc0 s LEU 34 CO -0.01 -0.24 0.09 -0.89 -1.89 0.00 0.00 176.35 173.41 2kc0 s THR 35 N 1.64 5.05 -0.47 3.68 2.01 -1.26 -0.90 115.64 125.38 2kc0 s THR 35 Ca 0.05 0.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.00 2kc0 s THR 35 Cb -0.17 -3.25 0.12 0.00 0.01 0.00 0.00 72.50 69.21 2kc0 s THR 35 CO 0.08 0.51 0.35 -0.76 -0.69 0.00 0.00 174.62 174.11 2kc0 s LEU 36 N -0.14 5.69 -0.22 4.42 1.02 -1.07 -4.82 118.68 123.56 2kc0 s LEU 36 Ca 0.08 -1.84 0.07 0.00 0.02 0.00 0.00 54.13 52.46 2kc0 s LEU 36 Cb -0.12 -2.03 -0.21 0.00 0.02 0.00 0.00 46.19 43.85 2kc0 s LEU 36 CO 0.01 -0.69 -0.03 -0.67 0.02 0.00 0.00 176.35 174.98 2kc0 n ASP 37 N 4.95 1.31 -3.98 2.29 -0.08 -1.26 -4.14 116.55 115.64 2kc0 n ASP 37 Ca -0.09 -0.03 -0.31 0.00 -1.51 0.00 0.00 54.79 52.85 2kc0 n ASP 37 Cb 0.41 0.01 -0.15 0.00 2.34 0.00 0.00 41.12 43.73 2kc0 n ASP 37 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2kc0 s GLN 38 N -2.52 1.58 0.12 -0.67 2.00 -1.26 -4.87 119.66 114.04 2kc0 s GLN 38 Ca -0.24 -1.50 0.00 0.00 -2.00 0.00 0.00 55.36 51.62 2kc0 s GLN 38 Cb 0.08 -2.87 0.00 0.00 0.80 0.00 0.00 33.01 31.02 2kc0 s GLN 38 CO 0.70 -0.80 0.00 -1.13 -0.50 0.00 0.00 175.29 173.56 2kc0 n SER 39 N 4.44 -1.06 -4.32 6.67 3.41 -1.26 -2.19 113.62 119.30 2kc0 n SER 39 Ca -0.04 0.23 -0.17 0.00 -0.26 0.00 0.00 58.87 58.64 2kc0 n SER 39 Cb 0.42 1.34 -0.10 0.00 -0.26 0.00 0.00 64.21 65.62 2kc0 n SER 39 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2kc0 s VAL 40 N -2.00 1.20 1.02 -3.33 0.11 -1.26 -5.09 120.40 111.05 2kc0 s VAL 40 Ca 0.00 -2.07 -0.12 0.00 -2.93 0.00 0.00 61.98 56.86 2kc0 s VAL 40 Cb 0.00 -2.22 0.20 0.00 -1.53 0.00 0.00 36.38 32.83 2kc0 s VAL 40 CO 0.00 -0.44 1.08 -0.13 -3.33 0.00 0.00 175.10 172.28 2kc0 s ARG 41 N -3.80 0.26 0.39 1.54 1.81 -1.26 -4.95 118.95 112.95 2kc0 s ARG 41 Ca 0.25 0.60 0.28 0.00 -1.72 0.00 0.00 55.73 55.15 2kc0 s ARG 41 Cb 0.04 -1.71 1.23 0.00 -0.45 0.00 0.00 34.95 34.06 2kc0 s ARG 41 CO 0.07 -2.86 1.85 0.87 -0.68 0.00 0.00 175.30 174.54 2kc0 h LYS 42 N -1.99 0.00 0.00 3.54 1.79 -2.01 -3.37 116.57 114.53 2kc0 h LYS 42 Ca -0.55 0.00 -0.36 0.00 -2.18 0.00 0.00 60.65 57.55 2kc0 h LYS 42 Cb 1.33 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.92 2kc0 h LYS 42 CO 0.56 0.00 -2.26 0.09 -1.08 0.00 0.00 179.45 176.76 2kc0 n ASN 43 N -2.60 1.88 -4.77 0.86 3.02 -1.26 -4.45 115.26 107.95 2kc0 n ASN 43 Ca 0.01 0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 54.31 2kc0 n ASN 43 Cb 0.23 -0.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kc0 s GLU 44 N -2.42 4.71 0.27 3.52 8.01 -1.26 -4.83 118.70 126.69 2kc0 s GLU 44 Ca -0.31 1.40 -0.29 0.00 0.01 0.00 0.00 54.97 55.78 2kc0 s GLU 44 Cb 0.11 -3.01 -0.09 0.00 -4.31 0.00 0.00 34.13 26.82 2kc0 s GLU 44 CO 0.44 0.39 1.14 0.15 0.01 0.00 0.00 175.26 177.38 2kc0 s LYS 45 N -1.67 4.58 -0.05 1.61 3.01 -0.30 -4.16 119.74 122.77 2kc0 s LYS 45 Ca 0.46 1.87 -0.04 0.00 -1.01 0.00 0.00 55.97 57.24 2kc0 s LYS 45 Cb -0.22 -3.18 0.01 0.00 -1.01 0.00 0.00 37.83 33.43 2kc0 s LYS 45 CO 0.27 0.12 0.13 -0.48 0.51 0.00 0.00 175.35 175.90 2kc0 s LEU 46 N -1.30 1.52 -0.09 3.17 2.34 -0.57 -0.11 118.68 123.65 2kc0 s LEU 46 Ca 0.46 0.24 0.03 0.00 0.06 0.00 0.00 54.13 54.92 2kc0 s LEU 46 Cb -0.33 0.44 -0.02 0.00 -0.56 0.00 0.00 46.19 45.73 2kc0 s LEU 46 CO 0.42 -0.06 -0.17 -0.75 -1.06 0.00 0.00 176.35 174.73 2kc0 s LYS 47 N 0.01 2.89 0.65 1.48 2.20 0.10 -0.57 119.74 126.50 2kc0 s LYS 47 Ca -0.01 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 2kc0 s LYS 47 Cb -0.01 -2.41 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 2kc0 s LYS 47 CO 0.00 0.37 1.05 -0.51 -0.36 0.00 0.00 175.35 175.90 2kc0 s LEU 48 N -0.10 3.12 -0.24 5.43 2.01 0.19 -1.51 118.68 127.57 2kc0 s LEU 48 Ca -0.03 1.28 -0.10 0.00 0.01 0.00 0.00 54.13 55.29 2kc0 s LEU 48 Cb -0.14 -4.23 0.09 0.00 0.01 0.00 0.00 46.19 41.92 2kc0 s LEU 48 CO 0.04 -1.04 0.54 0.00 1.01 0.00 0.00 176.35 176.90 2kc0 s ALA 49 N -3.23 -1.55 -0.28 4.21 0.00 -0.26 -3.09 121.76 117.55 2kc0 s ALA 49 Ca 0.56 1.96 -0.18 0.00 0.00 0.00 0.00 51.96 54.29 2kc0 s ALA 49 Cb -0.11 -1.40 0.10 0.00 0.00 0.00 0.00 23.12 21.71 2kc0 s ALA 49 CO 0.53 -0.63 0.82 0.00 0.00 0.00 0.00 175.76 176.48 2kc0 s ALA 50 N 2.25 -1.99 -1.59 0.00 0.00 -0.49 -1.33 121.76 118.61 2kc0 s ALA 50 Ca -0.06 2.24 -0.13 0.00 0.00 0.00 0.00 51.96 54.01 2kc0 s ALA 50 Cb -0.10 -1.48 0.10 0.00 0.00 0.00 0.00 23.12 21.65 2kc0 s ALA 50 CO -0.16 -0.35 0.74 0.94 0.00 0.00 0.00 175.76 176.93 2kc0 n GLN 51 N 3.65 -3.71 0.00 0.00 -0.06 -1.26 -1.52 117.38 114.49 2kc0 n GLN 51 Ca -0.18 0.43 0.00 0.00 -2.00 0.00 0.00 57.00 55.25 2kc0 n GLN 51 Cb 0.58 -5.04 0.00 0.00 -4.06 0.00 0.00 30.24 21.72 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kc0 n GLY 52 N -1.60 2.95 3.96 1.69 0.00 -1.26 -4.63 105.19 106.30 2kc0 n GLY 52 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.43 3.89 -0.06 4.61 0.00 -0.57 -5.10 121.76 122.10 2kc0 s ALA 53 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 51.96 50.57 2kc0 s ALA 53 Cb 0.00 -1.82 0.05 0.00 0.00 0.00 0.00 23.12 21.35 2kc0 s ALA 53 CO 0.00 0.16 0.51 -1.83 0.00 0.00 0.00 175.76 174.60 2kc0 s GLU 54 N -4.07 0.84 -0.14 0.00 -1.05 -1.26 -1.39 118.70 111.62 2kc0 s GLU 54 Ca 0.36 0.14 -0.08 0.00 -0.15 0.00 0.00 54.97 55.24 2kc0 s GLU 54 Cb -0.09 0.39 0.05 0.00 -0.44 0.00 0.00 34.13 34.04 2kc0 s GLU 54 CO 0.31 -0.23 0.34 0.21 0.95 0.00 0.00 175.26 176.84 2kc0 s LYS 55 N -1.04 0.33 -0.14 -4.83 2.47 -1.18 -4.94 119.74 110.42 2kc0 s LYS 55 Ca -0.10 0.65 -0.21 0.00 -1.56 0.00 0.00 55.97 54.74 2kc0 s LYS 55 Cb -0.03 -0.02 -0.03 0.00 -1.46 0.00 0.00 37.83 36.29 2kc0 s LYS 55 CO 0.06 -0.14 0.62 0.99 0.16 0.00 0.00 175.35 177.05 2kc0 s THR 56 N 1.14 5.06 0.16 3.43 2.01 -1.26 -0.64 115.64 125.54 2kc0 s THR 56 Ca -0.08 1.23 0.02 0.00 0.31 0.00 0.00 61.69 63.17 2kc0 s THR 56 Cb -0.08 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 2kc0 s THR 56 CO -0.09 0.20 0.06 0.00 -0.69 0.00 0.00 174.62 174.10 2kc0 n TYR 57 N 4.32 0.05 0.00 4.92 4.11 0.26 -4.99 117.16 125.83 2kc0 n TYR 57 Ca -0.02 -1.02 0.00 0.00 -0.00 0.00 0.00 57.90 56.86 2kc0 n TYR 57 Cb 0.51 -0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.85 2kc0 n TYR 57 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2kc0 n GLY 58 N 1.11 -0.31 4.91 -7.48 0.00 -1.26 -1.51 105.19 100.65 2kc0 n GLY 58 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2kc0 n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2kc0 n ASN 59 N 0.00 0.00 0.00 1.61 4.13 -1.26 -4.25 115.26 115.49 2kc0 n ASN 59 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2kc0 n ASN 59 Cb 0.00 -0.19 0.00 0.00 -1.54 0.00 0.00 39.78 38.05 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kc0 n GLY 60 N -0.45 2.46 3.75 7.41 0.00 -1.26 -4.62 105.19 112.47 2kc0 n GLY 60 Ca 0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.66 2kc0 n GLY 60 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc0 s ASP 61 N 0.00 0.19 0.27 1.61 2.15 -1.26 -5.03 116.67 114.60 2kc0 s ASP 61 Ca 0.00 -1.22 0.11 0.00 0.43 0.00 0.00 52.55 51.87 2kc0 s ASP 61 Cb 0.00 0.82 -0.05 0.00 -0.30 0.00 0.00 42.92 43.39 2kc0 s ASP 61 CO 0.00 -1.62 -0.19 -0.94 -0.17 0.00 0.00 175.17 172.25 2kc0 s SER 62 N -3.10 3.38 -0.03 -0.34 1.04 -1.26 -2.59 113.70 110.78 2kc0 s SER 62 Ca 0.18 -1.03 0.03 0.00 0.48 0.00 0.00 55.95 55.61 2kc0 s SER 62 Cb -0.04 -0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2kc0 s SER 62 CO 0.13 -0.01 -0.12 -0.22 0.98 0.00 0.00 173.24 174.01 2kc0 s LEU 63 N -3.47 1.81 -0.01 2.42 2.96 -0.08 -4.99 118.68 117.32 2kc0 s LEU 63 Ca 0.28 -0.24 -0.30 0.00 -0.22 0.00 0.00 54.13 53.65 2kc0 s LEU 63 Cb -0.04 -0.69 -0.04 0.00 0.50 0.00 0.00 46.19 45.92 2kc0 s LEU 63 CO 0.13 0.09 1.18 0.20 -1.32 0.00 0.00 176.35 176.63 2kc0 s ASN 64 N 0.18 7.09 0.00 3.68 0.01 -1.26 -1.10 114.94 123.53 2kc0 s ASN 64 Ca -0.04 1.87 0.02 0.00 -0.71 0.00 0.00 52.86 54.01 2kc0 s ASN 64 Cb -0.10 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 39.03 2kc0 s ASN 64 CO 0.01 -0.52 0.90 1.07 -1.51 0.00 0.00 177.10 177.05 2kc0 n THR 65 N 4.31 0.00 -1.10 1.60 5.66 -0.08 -4.86 114.28 119.80 2kc0 n THR 65 Ca 0.10 -0.08 -0.24 0.00 -3.05 0.00 0.00 64.05 60.77 2kc0 n THR 65 Cb 0.47 0.43 0.20 0.00 -1.55 0.00 0.00 70.33 69.87 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kc0 n GLY 66 N 0.04 -2.46 6.54 1.09 0.00 -0.89 -4.62 105.19 104.88 2kc0 n GLY 66 Ca -0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 2kc0 n GLY 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 67 N -4.03 0.00 0.00 1.61 5.02 -1.25 -4.96 118.16 114.54 2kc0 n LYS 67 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2kc0 n LYS 67 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2kc0 n LYS 67 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kc0 n LEU 68 N 0.00 0.00 -4.69 -0.35 7.99 -1.26 -4.49 117.00 114.19 2kc0 n LEU 68 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 56.01 55.58 2kc0 n LEU 68 Cb 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 43.42 43.28 2kc0 n LEU 68 CO 0.00 -0.37 0.77 -0.75 -1.51 0.00 0.00 177.39 175.54 2kc0 s LYS 69 N 0.00 4.45 0.00 3.23 2.47 -1.26 -5.07 119.74 123.56 2kc0 s LYS 69 Ca 0.00 1.42 0.00 0.00 -1.56 0.00 0.00 55.97 55.83 2kc0 s LYS 69 Cb 0.00 -3.52 0.00 0.00 -1.46 0.00 0.00 37.83 32.85 2kc0 s LYS 69 CO 0.00 -0.26 0.00 0.09 0.16 0.00 0.00 175.35 175.34 2kc0 n ASN 70 N 4.75 -0.14 -1.20 1.43 4.13 -1.26 -4.67 115.26 118.30 2kc0 n ASN 70 Ca 0.08 -0.38 -0.16 0.00 1.68 0.00 0.00 54.58 55.81 2kc0 n ASN 70 Cb 0.49 0.00 -0.07 0.00 -1.54 0.00 0.00 39.78 38.66 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2kc0 n ASP 71 N -1.35 -5.15 -3.86 6.41 2.03 -0.94 -4.96 116.55 108.74 2kc0 n ASP 71 Ca 0.00 0.39 -0.09 0.00 0.52 0.00 0.00 54.79 55.60 2kc0 n ASP 71 Cb 0.00 -4.03 -0.06 0.00 -0.72 0.00 0.00 41.12 36.31 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2kc0 s LYS 72 N -3.29 1.06 -0.01 -0.67 -2.85 -1.10 -5.00 119.74 107.88 2kc0 s LYS 72 Ca 0.00 -1.01 -0.28 0.00 -1.00 0.00 0.00 55.97 53.68 2kc0 s LYS 72 Cb 0.00 0.39 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2kc0 s LYS 72 CO 0.00 -0.38 0.89 0.14 0.10 0.00 0.00 175.35 176.10 2kc0 s VAL 73 N -3.90 4.90 -0.20 1.79 -7.23 -1.26 -0.49 120.40 114.01 2kc0 s VAL 73 Ca 0.10 1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 62.05 2kc0 s VAL 73 Cb 0.03 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 32.69 2kc0 s VAL 73 CO -0.06 0.20 0.12 -0.94 -0.31 0.00 0.00 175.10 174.11 2kc0 s SER 74 N 0.86 6.08 0.20 4.85 1.04 0.39 -4.95 113.70 122.17 2kc0 s SER 74 Ca 0.47 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.79 2kc0 s SER 74 Cb -0.20 -2.07 -0.08 0.00 0.10 0.00 0.00 66.02 63.77 2kc0 s SER 74 CO 0.25 0.16 0.97 0.00 0.98 0.00 0.00 173.24 175.60 2kc0 s ARG 75 N 0.46 4.78 0.00 4.02 1.70 -1.26 -2.60 118.95 126.05 2kc0 s ARG 75 Ca 0.07 1.52 0.01 0.00 -0.47 0.00 0.00 55.73 56.85 2kc0 s ARG 75 Cb -0.12 -3.30 -0.00 0.00 -0.57 0.00 0.00 34.95 30.96 2kc0 s ARG 75 CO -0.01 0.37 -0.02 -0.06 -1.08 0.00 0.00 175.30 174.50 2kc0 s PHE 76 N -0.75 0.22 0.22 5.89 0.08 -0.94 -4.99 117.98 117.70 2kc0 s PHE 76 Ca 0.44 -0.10 -0.11 0.00 0.12 0.00 0.00 56.93 57.27 2kc0 s PHE 76 Cb -0.26 -0.14 -0.07 0.00 -0.57 0.00 0.00 43.02 41.98 2kc0 s PHE 76 CO 0.32 -0.02 0.57 -0.51 -0.10 0.00 0.00 175.22 175.48 2kc0 s ASP 77 N -0.24 6.69 0.01 1.36 1.01 -0.44 -1.76 116.67 123.30 2kc0 s ASP 77 Ca -0.01 0.99 -0.15 0.00 0.71 0.00 0.00 52.55 54.09 2kc0 s ASP 77 Cb -0.02 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.68 2kc0 s ASP 77 CO -0.00 -0.04 0.34 0.72 0.21 0.00 0.00 175.17 176.39 2kc0 s PHE 78 N -1.74 -0.18 -0.04 4.23 -0.71 -0.53 -1.10 117.98 117.91 2kc0 s PHE 78 Ca 0.46 0.18 0.01 0.00 -1.04 0.00 0.00 56.93 56.53 2kc0 s PHE 78 Cb -0.12 0.12 0.02 0.00 -1.21 0.00 0.00 43.02 41.84 2kc0 s PHE 78 CO 0.20 -0.47 -0.03 0.42 -1.34 0.00 0.00 175.22 174.01 2kc0 s ILE 79 N -1.96 0.39 -0.33 -4.49 1.09 -0.57 -2.02 121.20 113.32 2kc0 s ILE 79 Ca -0.09 -0.04 -0.03 0.00 -1.10 0.00 0.00 60.65 59.39 2kc0 s ILE 79 Cb -0.03 -0.45 0.06 0.00 -1.06 0.00 0.00 42.46 40.99 2kc0 s ILE 79 CO 0.01 0.19 0.06 -0.60 -0.10 0.00 0.00 174.94 174.50 2kc0 s ARG 80 N 0.95 2.38 0.15 2.79 3.52 -0.02 -0.72 118.95 128.01 2kc0 s ARG 80 Ca -0.11 -1.36 0.05 0.00 -0.13 0.00 0.00 55.73 54.19 2kc0 s ARG 80 Cb -0.14 -3.32 -0.04 0.00 -1.56 0.00 0.00 34.95 29.89 2kc0 s ARG 80 CO -0.01 -0.72 0.09 1.14 -0.81 0.00 0.00 175.30 174.99 2kc0 s GLN 81 N 1.26 2.76 0.18 5.12 -2.07 0.85 -1.15 119.66 126.61 2kc0 s GLN 81 Ca -0.02 -0.89 -0.13 0.00 -1.82 0.00 0.00 55.36 52.50 2kc0 s GLN 81 Cb -0.20 -2.59 0.01 0.00 -1.09 0.00 0.00 33.01 29.14 2kc0 s GLN 81 CO -0.01 0.49 0.41 -1.50 -1.32 0.00 0.00 175.29 173.36 2kc0 s ILE 82 N -1.66 0.05 0.22 3.63 1.10 -1.25 -1.15 121.20 122.14 2kc0 s ILE 82 Ca 0.29 -1.08 -0.30 0.00 -0.51 0.00 0.00 60.65 59.06 2kc0 s ILE 82 Cb -0.10 -1.71 -0.08 0.00 0.15 0.00 0.00 42.46 40.72 2kc0 s ILE 82 CO 0.22 -0.21 0.93 -0.70 -2.11 0.00 0.00 174.94 173.07 2kc0 s GLU 83 N -3.92 4.82 -0.34 3.50 2.12 -1.26 -4.24 118.70 119.39 2kc0 s GLU 83 Ca 0.13 1.47 0.04 0.00 0.36 0.00 0.00 54.97 56.96 2kc0 s GLU 83 Cb 0.01 -3.29 0.10 0.00 0.26 0.00 0.00 34.13 31.21 2kc0 s GLU 83 CO -0.01 0.48 0.05 0.08 -0.54 0.00 0.00 175.26 175.31 2kc0 s VAL 84 N -1.00 2.16 -1.23 3.70 1.01 -0.14 -4.81 120.40 120.10 2kc0 s VAL 84 Ca 0.42 -2.26 -0.04 0.00 0.00 0.00 0.00 61.98 60.10 2kc0 s VAL 84 Cb -0.25 -2.60 0.03 0.00 0.00 0.00 0.00 36.38 33.55 2kc0 s VAL 84 CO 0.31 -0.60 0.25 -0.67 0.00 0.00 0.00 175.10 174.40 2kc0 n ASP 85 N 4.30 -4.24 0.00 3.32 -0.08 -1.26 -0.67 116.55 117.92 2kc0 n ASP 85 Ca 0.03 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.23 2kc0 n ASP 85 Cb 0.42 -3.53 0.00 0.00 2.34 0.00 0.00 41.12 40.35 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kc0 n GLY 86 N -1.04 0.70 3.36 0.27 0.00 -1.26 -5.08 105.19 102.12 2kc0 n GLY 86 Ca -0.10 -0.20 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.66 1.35 -0.45 1.61 -0.21 0.15 -5.13 119.66 116.32 2kc0 s GLN 87 Ca 0.00 -1.59 -0.10 0.00 0.02 0.00 0.00 55.36 53.69 2kc0 s GLN 87 Cb 0.00 -1.20 0.10 0.00 1.00 0.00 0.00 33.01 32.91 2kc0 s GLN 87 CO 0.00 0.21 0.32 -0.51 -2.12 0.00 0.00 175.29 173.18 2kc0 s LEU 88 N -3.27 5.46 -0.02 2.90 1.02 -1.26 -0.96 118.68 122.55 2kc0 s LEU 88 Ca 0.22 -1.66 0.07 0.00 0.02 0.00 0.00 54.13 52.79 2kc0 s LEU 88 Cb -0.02 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 2kc0 s LEU 88 CO 0.08 -0.62 -0.24 -0.63 0.02 0.00 0.00 176.35 174.96 2kc0 s ILE 89 N 1.43 2.27 -0.13 -0.59 1.01 -1.26 -5.04 121.20 118.89 2kc0 s ILE 89 Ca 0.04 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.43 2kc0 s ILE 89 Cb -0.25 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.36 2kc0 s ILE 89 CO 0.01 0.55 0.51 0.28 0.00 0.00 0.00 174.94 176.29 2kc0 s THR 90 N -0.67 5.15 -0.10 2.92 -1.32 -1.26 -3.90 115.64 116.47 2kc0 s THR 90 Ca 0.11 1.01 -0.15 0.00 -1.21 0.00 0.00 61.69 61.44 2kc0 s THR 90 Cb -0.10 -3.85 -0.28 0.00 -1.51 0.00 0.00 72.50 66.77 2kc0 s THR 90 CO -0.00 0.28 0.58 0.25 -2.21 0.00 0.00 174.62 173.52 2kc0 h LEU 91 N 7.01 0.41 -7.72 9.08 7.12 -1.45 -3.43 115.31 126.33 2kc0 h LEU 91 Ca -0.39 -0.87 -0.17 0.00 0.13 0.00 0.00 57.88 56.58 2kc0 h LEU 91 Cb 1.17 -0.13 -0.23 0.00 -0.53 0.00 0.00 40.66 40.94 2kc0 h LEU 91 CO 0.75 1.63 -0.54 -1.61 -0.13 0.00 0.00 178.44 178.55 2kc0 s GLU 92 N -2.49 0.35 -0.03 1.25 2.02 -1.22 -4.13 118.70 114.45 2kc0 s GLU 92 Ca -0.19 -0.21 -0.22 0.00 0.02 0.00 0.00 54.97 54.37 2kc0 s GLU 92 Cb 0.04 0.15 0.04 0.00 0.10 0.00 0.00 34.13 34.46 2kc0 s GLU 92 CO 0.78 -0.07 0.47 -1.12 0.02 0.00 0.00 175.26 175.33 2kc0 s SER 93 N -0.86 -0.39 0.00 -0.19 0.01 -1.26 -0.84 113.70 110.17 2kc0 s SER 93 Ca -0.09 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.51 2kc0 s SER 93 Cb -0.05 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.59 2kc0 s SER 93 CO 0.01 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.74 2kc0 n GLY 94 N 1.08 -0.66 3.46 3.44 0.00 -0.86 -2.26 105.19 109.39 2kc0 n GLY 94 Ca -0.20 -0.38 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.34 2.98 -0.30 1.61 8.01 -0.23 -1.46 118.70 127.97 2kc0 s GLU 95 Ca 0.00 -1.03 -0.29 0.00 0.01 0.00 0.00 54.97 53.66 2kc0 s GLU 95 Cb 0.00 -3.99 -0.00 0.00 -4.31 0.00 0.00 34.13 25.83 2kc0 s GLU 95 CO 0.00 -0.77 1.39 0.12 0.01 0.00 0.00 175.26 176.00 2kc0 s PHE 96 N 1.70 2.52 -0.13 1.61 5.36 -0.72 -1.31 117.98 127.00 2kc0 s PHE 96 Ca 0.05 0.77 -0.03 0.00 -0.96 0.00 0.00 56.93 56.76 2kc0 s PHE 96 Cb -0.19 -3.98 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2kc0 s PHE 96 CO 0.10 -2.01 -0.02 -1.14 -1.46 0.00 0.00 175.22 170.69 2kc0 s GLN 97 N 4.40 3.45 -0.14 10.12 2.00 -0.44 -2.21 119.66 136.85 2kc0 s GLN 97 Ca 0.60 -0.47 -0.04 0.00 -2.00 0.00 0.00 55.36 53.46 2kc0 s GLN 97 Cb -0.18 -2.90 0.06 0.00 0.80 0.00 0.00 33.01 30.80 2kc0 s GLN 97 CO 0.26 0.41 0.16 0.08 -0.50 0.00 0.00 175.29 175.70 2kc0 s VAL 98 N -0.08 -0.23 -0.16 1.34 1.01 -1.07 -1.76 120.40 119.45 2kc0 s VAL 98 Ca 0.03 0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 2kc0 s VAL 98 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2kc0 s VAL 98 CO 0.02 -0.06 0.46 -0.47 0.00 0.00 0.00 175.10 175.05 2kc0 s TYR 99 N 2.26 3.44 -0.23 5.22 6.14 -0.19 -0.46 117.35 133.53 2kc0 s TYR 99 Ca 0.04 0.78 -0.23 0.00 0.64 0.00 0.00 57.07 58.30 2kc0 s TYR 99 Cb -0.14 -2.56 -0.01 0.00 0.42 0.00 0.00 41.96 39.66 2kc0 s TYR 99 CO -0.08 0.06 0.75 0.15 0.64 0.00 0.00 175.55 177.06 2kc0 s LYS 100 N 1.04 4.18 0.36 4.97 3.01 0.36 -3.10 119.74 130.55 2kc0 s LYS 100 Ca 0.23 0.80 0.04 0.00 -1.01 0.00 0.00 55.97 56.03 2kc0 s LYS 100 Cb -0.15 -3.63 -0.03 0.00 -1.01 0.00 0.00 37.83 33.01 2kc0 s LYS 100 CO 0.09 -0.44 0.16 -0.65 0.51 0.00 0.00 175.35 175.03 2kc0 s GLN 101 N 2.56 1.78 -0.80 1.68 -0.21 -1.09 -2.21 119.66 121.37 2kc0 s GLN 101 Ca 0.32 -2.05 -0.20 0.00 0.02 0.00 0.00 55.36 53.45 2kc0 s GLN 101 Cb -0.16 -0.30 0.11 0.00 1.00 0.00 0.00 33.01 33.67 2kc0 s GLN 101 CO 0.08 -0.48 1.00 -1.12 -2.12 0.00 0.00 175.29 172.65 2kc0 s SER 102 N -3.48 6.44 -1.32 5.90 0.01 -1.26 -4.03 113.70 115.94 2kc0 s SER 102 Ca 0.31 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.89 2kc0 s SER 102 Cb 0.04 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.88 2kc0 s SER 102 CO 0.18 -1.16 0.00 1.41 0.41 0.00 0.00 173.24 174.08 2kc0 n HIS 103 N 6.73 0.00 -4.13 2.43 8.25 -1.26 -4.40 115.22 122.84 2kc0 n HIS 103 Ca 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.44 2kc0 n HIS 103 Cb 0.47 -2.50 -0.08 0.00 1.12 0.00 0.00 29.99 29.00 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kc0 s SER 104 N -2.65 0.29 -0.21 0.41 0.01 -1.26 -4.49 113.70 105.80 2kc0 s SER 104 Ca 0.00 -1.28 -0.28 0.00 1.31 0.00 0.00 55.95 55.70 2kc0 s SER 104 Cb 0.00 0.50 0.13 0.00 0.21 0.00 0.00 66.02 66.86 2kc0 s SER 104 CO 0.00 -1.01 1.04 0.00 0.41 0.00 0.00 173.24 173.68 2kc0 s ALA 105 N -3.92 -1.97 0.10 1.44 0.00 -0.95 -2.69 121.76 113.78 2kc0 s ALA 105 Ca 0.33 1.71 0.05 0.00 0.00 0.00 0.00 51.96 54.04 2kc0 s ALA 105 Cb 0.03 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2kc0 s ALA 105 CO 0.13 -0.27 -0.13 -0.48 0.00 0.00 0.00 175.76 175.01 2kc0 s LEU 106 N -0.57 2.38 0.14 0.00 0.05 -1.18 -1.26 118.68 118.24 2kc0 s LEU 106 Ca 0.01 -0.77 0.08 0.00 0.05 0.00 0.00 54.13 53.49 2kc0 s LEU 106 Cb -0.02 -0.47 -0.04 0.00 -2.05 0.00 0.00 46.19 43.61 2kc0 s LEU 106 CO -0.02 -0.17 -0.10 0.28 -0.55 0.00 0.00 176.35 175.79 2kc0 s THR 107 N -2.06 3.26 0.12 5.48 -1.32 -0.23 -1.02 115.64 119.87 2kc0 s THR 107 Ca 0.06 -1.46 -0.07 0.00 -1.21 0.00 0.00 61.69 59.01 2kc0 s THR 107 Cb -0.05 -2.57 -0.01 0.00 -1.51 0.00 0.00 72.50 68.36 2kc0 s THR 107 CO 0.02 0.01 0.19 0.00 -2.21 0.00 0.00 174.62 172.62 2kc0 s ALA 108 N -1.43 0.06 0.08 11.08 0.00 -0.72 -1.46 121.76 129.37 2kc0 s ALA 108 Ca 0.23 -0.88 0.07 0.00 0.00 0.00 0.00 51.96 51.38 2kc0 s ALA 108 Cb -0.10 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 2kc0 s ALA 108 CO 0.14 -0.54 -0.14 -0.06 0.00 0.00 0.00 175.76 175.16 2kc0 s PHE 109 N -3.93 2.66 -0.37 0.00 0.40 -0.36 -1.32 117.98 115.06 2kc0 s PHE 109 Ca 0.12 -0.19 0.00 0.00 -0.60 0.00 0.00 56.93 56.26 2kc0 s PHE 109 Cb 0.05 -1.44 0.12 0.00 0.51 0.00 0.00 43.02 42.27 2kc0 s PHE 109 CO -0.05 0.37 0.18 -1.14 0.70 0.00 0.00 175.22 175.28 2kc0 s GLN 110 N -1.92 0.89 -0.17 0.44 0.74 -0.43 -2.40 119.66 116.81 2kc0 s GLN 110 Ca 0.18 -1.49 -0.20 0.00 0.05 0.00 0.00 55.36 53.90 2kc0 s GLN 110 Cb -0.11 -1.93 -0.03 0.00 1.10 0.00 0.00 33.01 32.04 2kc0 s GLN 110 CO 0.10 -1.11 0.57 -0.08 -0.55 0.00 0.00 175.29 174.22 2kc0 s THR 111 N 0.99 5.08 0.00 -0.34 -1.32 -0.77 -1.07 115.64 118.21 2kc0 s THR 111 Ca 0.15 1.09 0.00 0.00 -1.21 0.00 0.00 61.69 61.72 2kc0 s THR 111 Cb -0.22 -3.89 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 2kc0 s THR 111 CO -0.09 0.19 0.00 -0.62 -2.21 0.00 0.00 174.62 171.89 2kc0 n GLU 112 N 4.58 0.00 -3.36 7.08 1.02 -0.96 -2.76 120.64 126.23 2kc0 n GLU 112 Ca -0.04 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.70 2kc0 n GLU 112 Cb 0.50 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.84 2kc0 n GLU 112 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2kc0 s GLN 113 N 2.66 3.74 0.16 3.49 -2.07 -1.26 -3.86 119.66 122.53 2kc0 s GLN 113 Ca 0.00 -0.19 -0.01 0.00 -1.82 0.00 0.00 55.36 53.34 2kc0 s GLN 113 Cb 0.00 -3.75 -0.04 0.00 -1.09 0.00 0.00 33.01 28.13 2kc0 s GLN 113 CO 0.00 -0.46 0.08 0.96 -1.32 0.00 0.00 175.29 174.55 2kc0 s ILE 114 N 2.12 0.13 0.35 3.63 -4.36 -1.23 -4.75 121.20 117.09 2kc0 s ILE 114 Ca 0.14 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.65 2kc0 s ILE 114 Cb -0.16 -2.24 -0.07 0.00 1.25 0.00 0.00 42.46 41.24 2kc0 s ILE 114 CO 0.11 -0.28 -0.02 0.00 0.24 0.00 0.00 174.94 175.00 2kc0 s GLN 115 N -4.08 1.79 -0.00 0.37 1.03 -1.26 -1.27 119.66 116.24 2kc0 s GLN 115 Ca 0.30 -1.97 -0.00 0.00 0.04 0.00 0.00 55.36 53.73 2kc0 s GLN 115 Cb 0.07 -1.41 -0.04 0.00 0.03 0.00 0.00 33.01 31.66 2kc0 s GLN 115 CO 0.06 -0.02 0.07 0.34 -2.54 0.00 0.00 175.29 173.20 2kc0 s ASP 116 N -3.59 5.58 -0.87 12.60 -1.08 -1.26 -4.82 116.67 123.23 2kc0 s ASP 116 Ca 0.34 0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.47 2kc0 s ASP 116 Cb 0.07 -1.58 0.35 0.00 -1.46 0.00 0.00 42.92 40.30 2kc0 s ASP 116 CO 0.16 0.27 1.95 -0.24 0.52 0.00 0.00 175.17 177.83 2kc0 n SER 117 N 1.21 7.39 0.00 -0.34 2.88 -1.26 -3.08 113.62 120.42 2kc0 n SER 117 Ca -0.13 -3.81 0.00 0.00 -1.33 0.00 0.00 58.87 53.60 2kc0 n SER 117 Cb 0.53 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2kc0 n GLU 118 N -0.44 0.02 -0.43 -1.46 0.28 -1.26 -4.64 120.64 112.71 2kc0 n GLU 118 Ca 0.52 -0.21 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 2kc0 n GLU 118 Cb 0.25 -0.68 0.00 0.00 1.43 0.00 0.00 31.44 32.44 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 -0.06 0.00 -1.74 -1.84 -0.00 -1.26 -5.02 115.22 105.30 2kc0 n HIS 119 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 2kc0 n HIS 119 Cb 0.11 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.99 30.08 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kc0 n SER 120 N 0.00 -1.84 0.00 0.26 7.64 -1.25 -4.40 113.62 114.02 2kc0 n SER 120 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2kc0 n SER 120 Cb 0.65 -1.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.01 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc0 n GLY 121 N -0.34 0.00 0.00 0.23 0.00 -1.18 -4.99 105.19 98.91 2kc0 n GLY 121 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -0.14 -4.13 1.61 5.02 -1.18 -4.94 118.16 114.41 2kc0 n LYS 122 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 2kc0 n LYS 122 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 34.93 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 -2.57 1.37 -0.22 1.97 -2.45 -1.26 -4.01 119.30 112.12 2kc0 s MET 123 Ca 0.00 -1.52 -0.08 0.00 -1.25 0.00 0.00 55.69 52.84 2kc0 s MET 123 Cb 0.00 0.35 0.10 0.00 1.25 0.00 0.00 34.83 36.53 2kc0 s MET 123 CO 0.00 -0.50 0.48 0.08 1.05 0.00 0.00 175.02 176.13 2kc0 s VAL 124 N -4.04 -0.72 0.30 10.11 1.01 -0.40 -4.68 120.40 121.99 2kc0 s VAL 124 Ca 0.33 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2kc0 s VAL 124 Cb 0.04 -0.75 -0.11 0.00 0.00 0.00 0.00 36.38 35.55 2kc0 s VAL 124 CO 0.12 0.05 1.55 0.00 0.00 0.00 0.00 175.10 176.82 2kc0 s ALA 125 N 2.64 3.70 -0.46 5.51 0.00 -1.26 -3.56 121.76 128.33 2kc0 s ALA 125 Ca -0.03 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 2kc0 s ALA 125 Cb -0.12 -3.63 -0.00 0.00 0.00 0.00 0.00 23.12 19.37 2kc0 s ALA 125 CO -0.14 -0.96 1.63 -1.59 0.00 0.00 0.00 175.76 174.70 2kc0 s LYS 126 N -0.77 3.25 0.00 0.00 -2.85 -1.25 -4.72 119.74 113.40 2kc0 s LYS 126 Ca 0.61 0.93 0.00 0.00 -1.00 0.00 0.00 55.97 56.50 2kc0 s LYS 126 Cb -0.47 -4.18 0.00 0.00 -2.06 0.00 0.00 37.83 31.13 2kc0 s LYS 126 CO 0.50 -1.98 0.17 2.89 0.10 0.00 0.00 175.35 177.03 2kc0 n ARG 127 N 8.54 0.00 -2.86 1.78 1.85 -1.26 -4.97 116.66 119.74 2kc0 n ARG 127 Ca 0.18 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.60 2kc0 n ARG 127 Cb 0.49 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 31.88 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 -0.01 0.00 0.00 177.63 176.97 2kc0 s GLN 128 N 0.00 3.81 0.03 2.89 -1.52 -1.11 -4.97 119.66 118.78 2kc0 s GLN 128 Ca 0.00 -2.01 -0.25 0.00 -1.95 0.00 0.00 55.36 51.16 2kc0 s GLN 128 Cb 0.00 -5.07 -0.05 0.00 -0.22 0.00 0.00 33.01 27.67 2kc0 s GLN 128 CO 0.00 -1.86 0.76 0.12 -0.25 0.00 0.00 175.29 174.06 2kc0 s PHE 129 N 2.67 3.71 0.05 0.91 5.36 -1.26 -1.85 117.98 127.56 2kc0 s PHE 129 Ca 0.40 1.44 -0.05 0.00 -0.96 0.00 0.00 56.93 57.76 2kc0 s PHE 129 Cb -0.03 -2.82 -0.02 0.00 -0.34 0.00 0.00 43.02 39.81 2kc0 s PHE 129 CO -0.05 0.24 0.07 1.03 -1.46 0.00 0.00 175.22 175.06 2kc0 s ARG 130 N 0.09 0.62 0.26 10.12 1.81 -1.01 -4.71 118.95 126.13 2kc0 s ARG 130 Ca 0.39 -0.89 -0.24 0.00 -1.72 0.00 0.00 55.73 53.27 2kc0 s ARG 130 Cb -0.20 0.24 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 2kc0 s ARG 130 CO 0.22 -0.15 0.84 -1.50 -0.68 0.00 0.00 175.30 174.03 2kc0 s ILE 131 N -3.05 4.37 0.00 1.52 1.10 -1.26 -1.22 121.20 122.65 2kc0 s ILE 131 Ca -0.01 1.61 0.00 0.00 -0.51 0.00 0.00 60.65 61.74 2kc0 s ILE 131 Cb 0.01 -3.98 0.00 0.00 0.15 0.00 0.00 42.46 38.65 2kc0 s ILE 131 CO -0.07 0.23 0.00 0.61 -2.11 0.00 0.00 174.94 173.60 2kc0 n GLY 132 N 0.79 4.64 3.80 1.50 0.00 -0.54 -4.81 105.19 110.57 2kc0 n GLY 132 Ca -0.01 -1.94 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 2kc0 n GLY 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kc0 s ASP 133 N 0.21 6.73 -0.53 1.61 -1.08 -0.93 -4.80 116.67 117.88 2kc0 s ASP 133 Ca 0.00 1.83 -0.01 0.00 -0.52 0.00 0.00 52.55 53.85 2kc0 s ASP 133 Cb 0.00 -2.56 0.14 0.00 -1.46 0.00 0.00 42.92 39.04 2kc0 s ASP 133 CO 0.00 -0.50 0.32 -0.63 0.52 0.00 0.00 175.17 174.88 2kc0 s ILE 134 N -2.00 3.33 0.19 4.11 -1.09 -1.26 -1.06 121.20 123.42 2kc0 s ILE 134 Ca 0.62 -2.74 -0.28 0.00 -2.23 0.00 0.00 60.65 56.02 2kc0 s ILE 134 Cb -0.14 -3.23 -0.08 0.00 -1.58 0.00 0.00 42.46 37.43 2kc0 s ILE 134 CO 0.18 -0.80 0.86 0.00 -1.23 0.00 0.00 174.94 173.96 2kc0 s ALA 135 N 0.28 3.38 0.00 9.38 0.00 -0.39 -4.93 121.76 129.48 2kc0 s ALA 135 Ca 0.14 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2kc0 s ALA 135 Cb -0.22 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kc0 s ALA 135 CO -0.03 0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.37 2kc0 n GLY 136 N 1.61 2.26 2.96 0.00 0.00 -1.26 -2.23 105.19 108.52 2kc0 n GLY 136 Ca -0.03 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.64 0.33 0.43 1.61 2.02 -1.26 -5.11 118.70 115.08 2kc0 s GLU 137 Ca 0.00 -0.32 -0.06 0.00 0.02 0.00 0.00 54.97 54.61 2kc0 s GLU 137 Cb 0.00 -0.22 -0.04 0.00 0.10 0.00 0.00 34.13 33.96 2kc0 s GLU 137 CO 0.00 0.05 0.74 -1.01 0.02 0.00 0.00 175.26 175.06 2kc0 s HIS 138 N -0.53 3.53 -0.05 1.61 3.76 -1.26 -4.69 115.29 117.66 2kc0 s HIS 138 Ca -0.03 0.82 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2kc0 s HIS 138 Cb -0.04 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.34 2kc0 s HIS 138 CO -0.00 -0.15 -0.15 0.99 -0.85 0.00 0.00 174.74 174.57 2kc0 s THR 139 N -2.54 2.97 0.12 1.30 2.01 -1.25 -4.65 115.64 113.59 2kc0 s THR 139 Ca 0.47 -0.76 -0.35 0.00 0.31 0.00 0.00 61.69 61.37 2kc0 s THR 139 Cb -0.10 -2.16 -0.17 0.00 0.01 0.00 0.00 72.50 70.08 2kc0 s THR 139 CO 0.39 0.59 1.08 -1.20 -0.69 0.00 0.00 174.62 174.79 2kc0 n SER 140 N 2.38 0.67 0.19 3.53 7.64 -1.22 -4.82 113.62 121.99 2kc0 n SER 140 Ca -0.17 1.14 0.06 0.00 1.01 0.00 0.00 58.87 60.91 2kc0 n SER 140 Cb 0.52 -1.10 0.33 0.00 -1.01 0.00 0.00 64.21 62.96 2kc0 n SER 140 CO 0.00 0.00 0.00 2.19 -3.01 0.00 0.00 175.04 174.22 2kc0 h PHE 141 N 3.13 0.00 0.00 1.43 -0.00 -1.95 -2.68 116.94 116.87 2kc0 h PHE 141 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.53 2kc0 h PHE 141 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.33 2kc0 h PHE 141 CO 0.54 0.37 0.00 -0.40 -0.00 0.00 0.00 178.31 178.82 2kc0 n ASP 142 N -3.53 0.61 -0.02 -0.68 5.75 -1.26 -1.65 116.55 115.76 2kc0 n ASP 142 Ca -0.00 0.67 0.12 0.00 -0.01 0.00 0.00 54.79 55.57 2kc0 n ASP 142 Cb 0.51 -0.79 0.22 0.00 -1.03 0.00 0.00 41.12 40.03 2kc0 n ASP 142 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2kc0 n LYS 143 N -2.20 0.08 -3.53 0.11 4.76 -1.01 -4.86 118.16 111.51 2kc0 n LYS 143 Ca 0.02 -0.05 -0.37 0.00 -2.87 0.00 0.00 58.31 55.03 2kc0 n LYS 143 Cb 0.19 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 31.82 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 -2.95 4.33 1.22 -0.35 1.02 -0.66 -5.08 118.68 116.21 2kc0 s LEU 144 Ca 0.12 0.68 -0.16 0.00 0.02 0.00 0.00 54.13 54.79 2kc0 s LEU 144 Cb 0.18 -2.45 0.29 0.00 0.02 0.00 0.00 46.19 44.23 2kc0 s LEU 144 CO 0.70 0.18 1.02 -2.16 0.02 0.00 0.00 176.35 176.12 2kc0 s PRO 145 N -0.12 -1.33 -0.22 1.29 0.04 -1.26 -5.00 135.00 128.41 2kc0 s PRO 145 Ca 0.20 0.43 0.10 0.00 0.04 0.00 0.00 61.00 61.77 2kc0 s PRO 145 Cb -0.14 -1.54 0.43 0.00 0.04 0.00 0.00 34.50 33.28 2kc0 s PRO 145 CO 0.08 -3.89 1.22 0.39 0.04 0.00 0.00 177.00 174.83 2kc0 n GLU 146 N -4.97 1.93 -0.01 4.56 1.02 -1.26 -4.54 120.64 117.37 2kc0 n GLU 146 Ca 0.07 -3.45 -0.13 0.00 -0.02 0.00 0.00 57.16 53.63 2kc0 n GLU 146 Cb 0.57 -1.73 -0.09 0.00 -0.02 0.00 0.00 31.44 30.17 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2kc0 h GLY 147 N 1.20 0.02 0.00 0.62 0.00 -1.95 -3.37 103.07 99.59 2kc0 h GLY 147 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2kc0 h GLY 147 CO 0.13 0.02 0.00 0.61 0.00 0.00 0.00 176.54 177.30 2kc0 n GLY 148 N 0.06 0.84 3.10 4.60 0.00 -1.26 -4.89 105.19 107.64 2kc0 n GLY 148 Ca -0.08 0.42 -0.08 0.00 0.00 0.00 0.00 46.02 46.28 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 2.50 0.63 -0.04 1.61 1.70 -1.26 -1.07 118.95 123.02 2kc0 s ARG 149 Ca 0.00 -1.21 -0.01 0.00 -0.47 0.00 0.00 55.73 54.04 2kc0 s ARG 149 Cb 0.00 0.13 0.03 0.00 -0.57 0.00 0.00 34.95 34.54 2kc0 s ARG 149 CO 0.00 -0.09 0.03 0.00 -1.08 0.00 0.00 175.30 174.16 2kc0 s ALA 150 N -3.74 0.33 0.49 7.88 0.00 0.32 -4.91 121.76 122.13 2kc0 s ALA 150 Ca 0.07 0.14 -0.22 0.00 0.00 0.00 0.00 51.96 51.95 2kc0 s ALA 150 Cb 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.61 2kc0 s ALA 150 CO -0.09 -0.31 1.15 0.99 0.00 0.00 0.00 175.76 177.50 2kc0 s THR 151 N 1.64 3.14 0.17 0.00 2.01 -1.26 -1.71 115.64 119.62 2kc0 s THR 151 Ca -0.01 0.80 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 2kc0 s THR 151 Cb -0.13 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2kc0 s THR 151 CO -0.03 -0.07 0.23 -0.31 -0.69 0.00 0.00 174.62 173.75 2kc0 s TYR 152 N -1.64 0.60 -0.09 4.92 2.02 -0.09 -4.88 117.35 118.20 2kc0 s TYR 152 Ca 0.67 -0.95 -0.08 0.00 -0.37 0.00 0.00 57.07 56.34 2kc0 s TYR 152 Cb -0.27 -0.20 0.03 0.00 -0.40 0.00 0.00 41.96 41.12 2kc0 s TYR 152 CO 0.31 -0.69 0.24 0.50 -1.57 0.00 0.00 175.55 174.35 2kc0 s ARG 153 N -4.02 0.26 0.07 -0.62 3.00 -1.26 -2.40 118.95 113.99 2kc0 s ARG 153 Ca 0.22 0.37 0.10 0.00 -1.00 0.00 0.00 55.73 55.41 2kc0 s ARG 153 Cb 0.04 0.09 -0.03 0.00 0.00 0.00 0.00 34.95 35.05 2kc0 s ARG 153 CO 0.03 -0.06 -0.26 0.20 0.00 0.00 0.00 175.30 175.21 2kc0 s GLY 154 N 0.33 1.42 -0.23 8.12 0.00 -0.43 -2.41 107.32 114.12 2kc0 s GLY 154 Ca -0.02 -1.31 -0.14 0.00 0.00 0.00 0.00 44.72 43.25 2kc0 s GLY 154 CO -0.01 -1.23 0.34 -1.59 0.00 0.00 0.00 173.10 170.61 2kc0 s THR 155 N -0.89 5.23 -0.01 0.90 2.01 -0.07 -2.64 115.64 120.17 2kc0 s THR 155 Ca 0.12 0.55 0.07 0.00 0.31 0.00 0.00 61.69 62.74 2kc0 s THR 155 Cb -0.10 -3.67 -0.02 0.00 0.01 0.00 0.00 72.50 68.72 2kc0 s THR 155 CO 0.03 0.25 -0.23 0.00 -0.69 0.00 0.00 174.62 173.98 2kc0 s ALA 156 N 1.46 1.94 -0.12 7.40 0.00 -1.26 -2.92 121.76 128.26 2kc0 s ALA 156 Ca 0.15 -1.01 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 2kc0 s ALA 156 Cb -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.54 2kc0 s ALA 156 CO 0.08 0.48 0.25 -0.59 0.00 0.00 0.00 175.76 175.97 2kc0 s PHE 157 N -0.56 -0.37 0.00 0.00 -0.71 -1.25 -4.61 117.98 110.47 2kc0 s PHE 157 Ca 0.09 0.88 0.00 0.00 -1.04 0.00 0.00 56.93 56.86 2kc0 s PHE 157 Cb -0.09 -0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.71 2kc0 s PHE 157 CO -0.01 -0.30 0.00 0.41 -1.34 0.00 0.00 175.22 173.98 2kc0 n GLY 158 N 4.87 3.09 0.80 1.99 0.00 -1.26 -1.85 105.19 112.82 2kc0 n GLY 158 Ca -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.73 2kc0 n GLY 158 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kc0 n SER 159 N -1.08 1.27 -0.00 1.61 3.41 -1.25 -4.04 113.62 113.54 2kc0 n SER 159 Ca 0.00 -1.16 -0.01 0.00 -0.26 0.00 0.00 58.87 57.44 2kc0 n SER 159 Cb 0.00 -0.29 -0.00 0.00 -0.26 0.00 0.00 64.21 63.66 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kc0 n ASP 160 N 0.51 0.30 0.00 4.04 5.75 -1.26 -5.06 116.55 120.83 2kc0 n ASP 160 Ca 0.00 0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.83 2kc0 n ASP 160 Cb 0.23 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 -2.79 0.00 -0.66 -1.12 2.03 -1.26 -4.95 116.55 107.80 2kc0 n ASP 161 Ca -0.01 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.26 2kc0 n ASP 161 Cb 0.05 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.45 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 0.00 -0.16 0.32 -1.67 0.00 -1.26 -4.98 120.51 112.75 2kc0 n ALA 162 Ca 0.00 0.05 -0.07 0.00 0.00 0.00 0.00 53.44 53.42 2kc0 n ALA 162 Cb 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.93 2.73 1.67 0.00 0.00 -1.26 -4.31 105.19 103.09 2kc0 n GLY 163 Ca -0.03 -0.32 0.03 0.00 0.00 0.00 0.00 46.02 45.70 2kc0 n GLY 163 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 164 N 0.09 1.55 3.76 -0.02 0.00 -1.26 -4.73 105.19 104.58 2kc0 n GLY 164 Ca 0.17 -0.95 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2kc0 n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 165 N -0.96 3.50 0.17 1.61 3.01 -1.26 -4.58 119.74 121.23 2kc0 s LYS 165 Ca 0.33 2.33 0.06 0.00 -1.01 0.00 0.00 55.97 57.69 2kc0 s LYS 165 Cb 0.38 -2.51 -0.05 0.00 -1.01 0.00 0.00 37.83 34.64 2kc0 s LYS 165 CO -0.14 -0.94 -0.12 -0.48 0.51 0.00 0.00 175.35 174.18 2kc0 s LEU 166 N -3.01 2.54 -0.05 3.17 -0.00 -1.08 -2.15 118.68 118.10 2kc0 s LEU 166 Ca 0.65 -1.01 -0.03 0.00 -0.00 0.00 0.00 54.13 53.74 2kc0 s LEU 166 Cb -0.42 -0.52 -0.04 0.00 -0.00 0.00 0.00 46.19 45.21 2kc0 s LEU 166 CO 0.52 -0.24 0.11 -0.89 -0.00 0.00 0.00 176.35 175.86 2kc0 s THR 167 N -3.09 5.06 0.07 5.48 2.01 0.46 -1.32 115.64 124.31 2kc0 s THR 167 Ca 0.19 -0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.08 2kc0 s THR 167 Cb 0.01 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2kc0 s THR 167 CO 0.04 0.45 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.81 2kc0 s TYR 168 N -1.15 1.16 0.04 4.92 5.04 -1.01 -1.34 117.35 125.02 2kc0 s TYR 168 Ca 0.21 -0.46 -0.05 0.00 -2.44 0.00 0.00 57.07 54.33 2kc0 s TYR 168 Cb -0.12 -0.66 -0.01 0.00 0.35 0.00 0.00 41.96 41.52 2kc0 s TYR 168 CO 0.11 0.04 0.08 -0.08 -1.34 0.00 0.00 175.55 174.36 2kc0 s THR 169 N -1.28 0.14 -0.02 4.34 -1.32 -0.82 -0.91 115.64 115.78 2kc0 s THR 169 Ca -0.03 -1.16 0.02 0.00 -1.21 0.00 0.00 61.69 59.31 2kc0 s THR 169 Cb -0.10 -0.94 0.00 0.00 -1.51 0.00 0.00 72.50 69.95 2kc0 s THR 169 CO 0.02 -0.64 -0.08 -0.51 -2.21 0.00 0.00 174.62 171.20 2kc0 s ILE 170 N -2.73 0.68 -0.80 5.08 2.07 -0.70 -1.47 121.20 123.34 2kc0 s ILE 170 Ca -0.04 -0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 58.79 2kc0 s ILE 170 Cb -0.00 -0.61 0.21 0.00 0.13 0.00 0.00 42.46 42.18 2kc0 s ILE 170 CO -0.05 0.22 0.71 -1.81 -1.91 0.00 0.00 174.94 172.09 2kc0 s ASP 171 N 0.17 6.33 0.51 4.50 1.11 0.66 -0.52 116.67 129.43 2kc0 s ASP 171 Ca -0.02 -2.88 0.17 0.00 0.18 0.00 0.00 52.55 49.99 2kc0 s ASP 171 Cb -0.08 -2.09 1.24 0.00 1.07 0.00 0.00 42.92 43.07 2kc0 s ASP 171 CO 0.00 -0.47 2.10 -0.26 1.18 0.00 0.00 175.17 177.73 2kc0 h PHE 172 N 7.36 0.07 0.00 4.23 -1.00 -1.41 0.93 116.94 127.12 2kc0 h PHE 172 Ca 0.08 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 2kc0 h PHE 172 Cb 0.99 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 40.52 2kc0 h PHE 172 CO 0.91 0.04 -0.21 0.00 -1.61 0.00 0.00 178.31 177.44 2kc0 h ALA 173 N 1.91 1.31 -0.01 2.45 0.00 -1.28 -3.18 119.26 120.46 2kc0 h ALA 173 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2kc0 h ALA 173 Cb 0.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kc0 h ALA 173 CO -0.01 0.26 -0.14 0.00 0.00 0.00 0.00 179.25 179.37 2kc0 n ALA 174 N -2.34 2.71 -3.21 0.00 0.00 -0.48 -4.97 120.51 112.22 2kc0 n ALA 174 Ca -0.02 -0.49 -0.22 0.00 0.00 0.00 0.00 53.44 52.71 2kc0 n ALA 174 Cb 0.31 -0.35 0.01 0.00 0.00 0.00 0.00 19.45 19.42 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 0.04 -3.72 -4.97 0.00 3.00 0.20 -4.94 118.16 107.77 2kc0 n LYS 175 Ca 0.05 0.60 -0.32 0.00 -0.00 0.00 0.00 58.31 58.63 2kc0 n LYS 175 Cb 0.23 -5.34 -0.15 0.00 0.00 0.00 0.00 35.03 29.77 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 -5.86 2.99 0.50 1.64 -0.21 -1.04 -2.42 119.66 115.25 2kc0 s GLN 176 Ca 0.35 -0.76 -0.04 0.00 0.02 0.00 0.00 55.36 54.92 2kc0 s GLN 176 Cb -0.18 -2.43 -0.02 0.00 1.00 0.00 0.00 33.01 31.38 2kc0 s GLN 176 CO 0.43 0.33 0.78 0.20 -2.12 0.00 0.00 175.29 174.90 2kc0 s GLY 177 N 0.03 1.53 0.34 3.09 0.00 0.54 -0.24 107.32 112.60 2kc0 s GLY 177 Ca -0.06 -0.70 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 2kc0 s GLY 177 CO 0.05 -0.51 0.81 0.21 0.00 0.00 0.00 173.10 173.66 2kc0 s ASN 178 N -4.18 -0.04 0.00 1.64 3.04 -0.54 -1.66 114.94 113.20 2kc0 s ASN 178 Ca 0.49 -1.00 0.00 0.00 0.04 0.00 0.00 52.86 52.39 2kc0 s ASN 178 Cb -0.10 0.79 0.00 0.00 -1.54 0.00 0.00 41.25 40.40 2kc0 s ASN 178 CO 0.43 -1.55 0.00 0.61 -3.04 0.00 0.00 177.10 173.55 2kc0 n GLY 179 N -0.53 0.93 3.61 1.21 0.00 -1.26 -1.94 105.19 107.21 2kc0 n GLY 179 Ca -0.07 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.67 0.43 0.19 1.61 -2.85 -0.45 -3.20 119.74 113.81 2kc0 s LYS 180 Ca 0.00 0.27 -0.30 0.00 -1.00 0.00 0.00 55.97 54.94 2kc0 s LYS 180 Cb 0.00 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.90 2kc0 s LYS 180 CO 0.00 -0.10 0.97 0.42 0.10 0.00 0.00 175.35 176.74 2kc0 s ILE 181 N -0.50 4.17 -0.30 3.79 -1.09 -0.04 -0.40 121.20 126.82 2kc0 s ILE 181 Ca 0.02 2.01 -0.08 0.00 -2.23 0.00 0.00 60.65 60.38 2kc0 s ILE 181 Cb -0.03 -4.28 0.16 0.00 -1.58 0.00 0.00 42.46 36.73 2kc0 s ILE 181 CO -0.04 0.41 0.70 -0.70 -1.23 0.00 0.00 174.94 174.08 2kc0 s GLU 182 N -0.72 0.51 0.00 2.79 2.12 -0.92 -3.85 118.70 118.64 2kc0 s GLU 182 Ca 0.44 1.13 0.00 0.00 0.36 0.00 0.00 54.97 56.90 2kc0 s GLU 182 Cb -0.26 0.66 0.00 0.00 0.26 0.00 0.00 34.13 34.80 2kc0 s GLU 182 CO 0.32 -0.34 0.00 0.72 -0.54 0.00 0.00 175.26 175.42 2kc0 n HIS 183 N 5.39 0.00 -2.69 5.30 8.25 -1.26 -4.63 115.22 125.57 2kc0 n HIS 183 Ca -0.07 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.09 2kc0 n HIS 183 Cb 0.50 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.60 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kc0 s LEU 184 N 0.00 3.71 0.65 2.41 2.01 -1.26 -5.00 118.68 121.20 2kc0 s LEU 184 Ca 0.00 1.09 0.41 0.00 0.01 0.00 0.00 54.13 55.64 2kc0 s LEU 184 Cb 0.00 -4.01 2.28 0.00 0.01 0.00 0.00 46.19 44.48 2kc0 s LEU 184 CO 0.00 -0.50 2.34 0.07 1.01 0.00 0.00 176.35 179.26 2kc0 h LYS 185 N 0.75 0.00 -4.33 1.70 2.10 -1.99 -3.43 116.57 111.37 2kc0 h LYS 185 Ca -0.47 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.00 2kc0 h LYS 185 Cb 1.19 0.00 -0.18 0.00 -0.90 0.00 0.00 32.23 32.35 2kc0 h LYS 185 CO 0.63 0.00 -0.70 -1.12 -2.00 0.00 0.00 179.45 176.26 2kc0 s SER 186 N -5.36 0.65 0.04 7.07 0.01 -1.26 -5.11 113.70 109.74 2kc0 s SER 186 Ca -0.05 -0.79 -0.28 0.00 1.31 0.00 0.00 55.95 56.15 2kc0 s SER 186 Cb 0.13 0.12 -0.17 0.00 0.21 0.00 0.00 66.02 66.31 2kc0 s SER 186 CO 0.44 -0.42 1.44 1.55 0.41 0.00 0.00 173.24 176.66 2kc0 h PRO 187 N 3.75 -0.54 0.00 12.44 0.13 -1.97 -3.20 132.00 142.61 2kc0 h PRO 187 Ca -0.34 0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2kc0 h PRO 187 Cb 1.18 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kc0 h PRO 187 CO 0.54 -0.28 0.00 0.93 -0.23 0.00 0.00 178.00 178.97 2kc0 h GLU 188 N -0.73 0.00 0.00 0.86 5.08 -1.99 -1.25 114.58 116.55 2kc0 h GLU 188 Ca -0.06 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2kc0 h GLU 188 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2kc0 h GLU 188 CO 0.09 0.00 -0.34 -0.07 -1.00 0.00 0.00 179.01 177.70 2kc0 h LEU 189 N 0.00 0.00 -9.27 1.33 -0.00 -1.97 -3.41 115.31 101.99 2kc0 h LEU 189 Ca 0.00 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.31 2kc0 h LEU 189 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.63 2kc0 h LEU 189 CO 0.00 0.34 0.25 0.20 -0.00 0.00 0.00 178.44 179.23 2kc0 s ASN 190 N -6.44 7.01 0.23 -0.43 0.01 -0.47 -4.60 114.94 110.26 2kc0 s ASN 190 Ca -0.00 1.23 0.10 0.00 -0.71 0.00 0.00 52.86 53.48 2kc0 s ASN 190 Cb 0.11 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 2kc0 s ASN 190 CO 0.68 -0.26 -0.12 0.68 -1.51 0.00 0.00 177.10 176.57 2kc0 s VAL 191 N 1.44 2.95 0.25 1.60 -7.23 -1.25 -4.93 120.40 113.23 2kc0 s VAL 191 Ca 0.39 -1.99 -0.21 0.00 -1.81 0.00 0.00 61.98 58.36 2kc0 s VAL 191 Cb -0.18 -2.51 -0.09 0.00 0.56 0.00 0.00 36.38 34.17 2kc0 s VAL 191 CO 0.17 -0.27 0.78 -1.81 -0.31 0.00 0.00 175.10 173.66 2kc0 s ASP 192 N -3.23 7.11 -0.17 4.85 1.11 -1.26 -0.86 116.67 124.22 2kc0 s ASP 192 Ca 0.27 1.51 -0.06 0.00 0.18 0.00 0.00 52.55 54.46 2kc0 s ASP 192 Cb -0.07 -2.46 -0.04 0.00 1.07 0.00 0.00 42.92 41.43 2kc0 s ASP 192 CO 0.16 0.00 0.02 -0.22 1.18 0.00 0.00 175.17 176.31 2kc0 s LEU 193 N -2.02 3.58 -0.42 1.23 0.20 -1.19 -4.37 118.68 115.68 2kc0 s LEU 193 Ca 0.45 -0.01 -0.29 0.00 0.69 0.00 0.00 54.13 54.98 2kc0 s LEU 193 Cb -0.17 -1.89 0.01 0.00 -0.43 0.00 0.00 46.19 43.71 2kc0 s LEU 193 CO 0.21 0.17 1.48 0.00 -0.29 0.00 0.00 176.35 177.93 2kc0 s ALA 194 N 0.36 2.97 0.17 5.97 0.00 -1.01 -4.14 121.76 126.08 2kc0 s ALA 194 Ca -0.00 -0.16 -0.33 0.00 0.00 0.00 0.00 51.96 51.47 2kc0 s ALA 194 Cb -0.13 -3.98 -0.15 0.00 0.00 0.00 0.00 23.12 18.86 2kc0 s ALA 194 CO 0.01 -2.52 1.24 0.00 0.00 0.00 0.00 175.76 174.49 2kc0 n ALA 195 N 9.21 -0.46 -3.33 0.00 0.00 -1.26 -4.08 120.51 120.59 2kc0 n ALA 195 Ca 0.17 0.46 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 2kc0 n ALA 195 Cb 0.48 -2.08 -0.13 0.00 0.00 0.00 0.00 19.45 17.72 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 -0.02 -0.39 0.60 0.00 0.00 -0.66 -4.95 121.76 116.33 2kc0 s ALA 196 Ca 0.74 0.59 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 2kc0 s ALA 196 Cb -0.83 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 2kc0 s ALA 196 CO 0.50 -0.12 0.98 0.16 0.00 0.00 0.00 175.76 177.29 2kc0 s ASP 197 N 0.54 6.14 0.27 0.00 -4.77 -1.26 -0.34 116.67 117.25 2kc0 s ASP 197 Ca -0.04 1.27 -0.30 0.00 -3.30 0.00 0.00 52.55 50.18 2kc0 s ASP 197 Cb -0.05 -2.35 -0.10 0.00 -1.09 0.00 0.00 42.92 39.33 2kc0 s ASP 197 CO -0.03 -0.86 1.48 -0.63 0.70 0.00 0.00 175.17 175.83 2kc0 s ILE 198 N -3.10 2.46 0.17 2.11 -1.09 -1.02 -4.26 121.20 116.47 2kc0 s ILE 198 Ca 0.54 0.40 0.08 0.00 -2.23 0.00 0.00 60.65 59.43 2kc0 s ILE 198 Cb -0.11 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.48 2kc0 s ILE 198 CO 0.52 0.07 -0.16 -0.54 -1.23 0.00 0.00 174.94 173.59 2kc0 s LYS 199 N -0.55 1.24 0.45 2.79 1.02 0.03 -4.98 119.74 119.75 2kc0 s LYS 199 Ca 0.60 -1.43 0.01 0.00 0.02 0.00 0.00 55.97 55.16 2kc0 s LYS 199 Cb -0.44 -1.17 -0.00 0.00 -0.52 0.00 0.00 37.83 35.70 2kc0 s LYS 199 CO 0.46 0.22 0.67 -1.25 -0.92 0.00 0.00 175.35 174.53 2kc0 s PRO 200 N -3.05 3.04 0.00 -1.68 0.04 -1.26 -0.70 135.00 131.39 2kc0 s PRO 200 Ca 0.17 -0.51 0.00 0.00 0.04 0.00 0.00 61.00 60.69 2kc0 s PRO 200 Cb -0.04 -2.56 0.00 0.00 0.04 0.00 0.00 34.50 31.94 2kc0 s PRO 200 CO 0.06 -0.28 0.00 -3.47 0.04 0.00 0.00 177.00 173.34 2kc0 n ASP 201 N -2.08 0.55 -0.48 6.66 2.03 -0.25 -4.81 116.55 118.17 2kc0 n ASP 201 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2kc0 n ASP 201 Cb 0.58 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 2kc0 n ASP 201 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 202 N 2.39 1.95 0.22 0.27 0.00 -0.99 -4.99 105.19 104.04 2kc0 n GLY 202 Ca 0.00 -0.82 0.15 0.00 0.00 0.00 0.00 46.02 45.34 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kc0 h LYS 203 N 0.00 0.00 0.00 1.61 2.10 -2.03 -2.95 116.57 115.29 2kc0 h LYS 203 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2kc0 h LYS 203 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2kc0 h LYS 203 CO 0.00 0.00 0.00 2.89 -2.00 0.00 0.00 179.45 180.34 2kc0 n ARG 204 N -2.52 0.00 -3.95 0.07 1.85 -1.26 -4.96 116.66 105.89 2kc0 n ARG 204 Ca -0.02 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.48 2kc0 n ARG 204 Cb 0.06 -0.36 -0.08 0.00 -1.05 0.00 0.00 32.46 31.03 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2kc0 s HIS 205 N 0.00 3.38 0.20 2.89 3.76 -1.12 -3.37 115.29 121.03 2kc0 s HIS 205 Ca 0.00 0.28 -0.01 0.00 -0.15 0.00 0.00 55.06 55.18 2kc0 s HIS 205 Cb 0.00 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 2kc0 s HIS 205 CO 0.00 0.39 0.13 0.00 -0.85 0.00 0.00 174.74 174.41 2kc0 s ALA 206 N -0.19 1.17 0.20 -1.40 0.00 -1.26 -1.09 121.76 119.20 2kc0 s ALA 206 Ca 0.09 -1.69 -0.12 0.00 0.00 0.00 0.00 51.96 50.23 2kc0 s ALA 206 Cb -0.12 1.36 -0.00 0.00 0.00 0.00 0.00 23.12 24.36 2kc0 s ALA 206 CO 0.01 -0.58 0.41 0.14 0.00 0.00 0.00 175.76 175.73 2kc0 s VAL 207 N -4.14 0.03 -0.15 0.00 -7.23 0.12 -4.64 120.40 104.39 2kc0 s VAL 207 Ca 0.38 -1.29 -0.00 0.00 -1.81 0.00 0.00 61.98 59.26 2kc0 s VAL 207 Cb 0.07 -1.95 -0.01 0.00 0.56 0.00 0.00 36.38 35.05 2kc0 s VAL 207 CO 0.12 -0.13 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.01 2kc0 s ILE 208 N -3.97 2.83 -0.13 -0.62 -1.09 -0.04 -0.79 121.20 117.38 2kc0 s ILE 208 Ca 0.18 -0.72 -0.01 0.00 -2.23 0.00 0.00 60.65 57.87 2kc0 s ILE 208 Cb 0.01 -2.20 0.04 0.00 -1.58 0.00 0.00 42.46 38.73 2kc0 s ILE 208 CO 0.03 0.51 -0.01 -0.55 -1.23 0.00 0.00 174.94 173.69 2kc0 s SER 209 N 0.76 2.27 0.00 3.58 0.15 -1.26 -1.84 113.70 117.36 2kc0 s SER 209 Ca -0.06 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2kc0 s SER 209 Cb -0.15 -0.63 0.00 0.00 -1.71 0.00 0.00 66.02 63.53 2kc0 s SER 209 CO 0.01 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2kc0 n GLY 210 N 5.04 4.01 3.60 9.45 0.00 -0.72 -4.80 105.19 121.77 2kc0 n GLY 210 Ca -0.09 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 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 -0.36 4.57 -0.08 1.61 0.01 -1.26 -1.47 113.70 116.72 2kc0 s SER 211 Ca 0.00 -0.26 0.01 0.00 1.31 0.00 0.00 55.95 57.00 2kc0 s SER 211 Cb 0.00 -0.98 0.02 0.00 0.21 0.00 0.00 66.02 65.27 2kc0 s SER 211 CO 0.00 0.22 -0.08 -0.69 0.41 0.00 0.00 173.24 173.10 2kc0 s VAL 212 N -1.14 0.90 0.39 3.43 1.01 -1.12 -2.41 120.40 121.45 2kc0 s VAL 212 Ca 0.20 -0.27 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2kc0 s VAL 212 Cb -0.11 -0.90 0.07 0.00 0.00 0.00 0.00 36.38 35.44 2kc0 s VAL 212 CO 0.12 0.33 0.53 0.18 0.00 0.00 0.00 175.10 176.26 2kc0 n LEU 213 N 4.44 0.00 -3.64 3.92 7.99 -1.26 -1.21 117.00 127.24 2kc0 n LEU 213 Ca -0.17 -1.28 -0.03 0.00 -0.01 0.00 0.00 56.01 54.51 2kc0 n LEU 213 Cb 0.51 -0.33 -0.07 0.00 -0.11 0.00 0.00 43.42 43.42 2kc0 n LEU 213 CO 0.20 -0.72 0.80 -0.31 -1.51 0.00 0.00 177.39 175.85 2kc0 s TYR 214 N -1.45 -0.40 -1.23 -1.77 2.02 -1.26 -4.90 117.35 108.36 2kc0 s TYR 214 Ca 0.37 0.85 -0.10 0.00 -0.37 0.00 0.00 57.07 57.82 2kc0 s TYR 214 Cb -0.02 0.31 0.08 0.00 -0.40 0.00 0.00 41.96 41.92 2kc0 s TYR 214 CO 0.24 -0.20 0.44 -1.71 -1.57 0.00 0.00 175.55 172.76 2kc0 n ASN 215 N 3.07 -3.26 0.00 2.29 5.15 -1.26 -0.09 115.26 121.15 2kc0 n ASN 215 Ca -0.16 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.43 2kc0 n ASN 215 Cb 0.57 -2.73 0.00 0.00 -0.53 0.00 0.00 39.78 37.09 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 -3.63 -1.79 -3.15 1.20 1.13 -1.26 -4.92 117.38 104.96 2kc0 n GLN 216 Ca -0.00 0.45 0.05 0.00 -1.94 0.00 0.00 57.00 55.55 2kc0 n GLN 216 Cb 0.53 -4.86 -0.01 0.00 0.11 0.00 0.00 30.24 26.01 2kc0 n GLN 216 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kc0 s ALA 217 N -1.06 -2.80 0.03 -1.58 0.00 0.87 -5.09 121.76 112.12 2kc0 s ALA 217 Ca 0.00 1.53 -0.28 0.00 0.00 0.00 0.00 51.96 53.21 2kc0 s ALA 217 Cb 0.00 -2.40 0.10 0.00 0.00 0.00 0.00 23.12 20.82 2kc0 s ALA 217 CO 0.00 -1.54 1.22 -2.00 0.00 0.00 0.00 175.76 173.44 2kc0 s GLU 218 N 2.89 0.60 -0.43 0.00 2.56 -1.25 -4.52 118.70 118.56 2kc0 s GLU 218 Ca 0.14 -0.37 0.05 0.00 0.00 0.00 0.00 54.97 54.78 2kc0 s GLU 218 Cb -0.11 0.18 0.18 0.00 2.00 0.00 0.00 34.13 36.38 2kc0 s GLU 218 CO -0.19 -0.28 0.37 1.17 -0.56 0.00 0.00 175.26 175.77 2kc0 n LYS 219 N -0.68 0.35 -1.94 4.30 4.81 -1.26 -4.79 118.16 118.96 2kc0 n LYS 219 Ca -0.03 -3.26 -0.13 0.00 -0.87 0.00 0.00 58.31 54.02 2kc0 n LYS 219 Cb 0.61 -1.65 0.06 0.00 0.02 0.00 0.00 35.03 34.06 2kc0 n LYS 219 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kc0 n GLY 220 N 2.60 1.20 3.05 3.14 0.00 -0.35 -4.17 105.19 110.65 2kc0 n GLY 220 Ca 0.28 -2.08 -0.08 0.00 0.00 0.00 0.00 46.02 44.15 2kc0 n GLY 220 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kc0 s SER 221 N -3.31 0.39 0.02 1.61 0.01 -0.08 -2.81 113.70 109.53 2kc0 s SER 221 Ca 0.38 -0.80 0.04 0.00 1.31 0.00 0.00 55.95 56.89 2kc0 s SER 221 Cb -0.02 0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.35 2kc0 s SER 221 CO 0.25 -0.48 -0.13 -0.72 0.41 0.00 0.00 173.24 172.57 2kc0 s TYR 222 N -2.92 1.17 -0.05 2.43 1.13 -0.54 -1.54 117.35 117.03 2kc0 s TYR 222 Ca -0.02 -0.31 0.01 0.00 -1.41 0.00 0.00 57.07 55.34 2kc0 s TYR 222 Cb 0.01 -0.71 0.02 0.00 -1.10 0.00 0.00 41.96 40.17 2kc0 s TYR 222 CO -0.06 0.01 -0.05 -1.12 -2.51 0.00 0.00 175.55 171.82 2kc0 s SER 223 N -0.85 1.05 0.21 -0.18 0.01 -0.32 -1.76 113.70 111.87 2kc0 s SER 223 Ca 0.02 -0.14 -0.10 0.00 1.31 0.00 0.00 55.95 57.04 2kc0 s SER 223 Cb -0.07 -0.49 -0.01 0.00 0.21 0.00 0.00 66.02 65.67 2kc0 s SER 223 CO 0.01 -0.05 0.36 -1.48 0.41 0.00 0.00 173.24 172.49 2kc0 s LEU 224 N 0.94 0.64 0.25 2.44 0.05 -0.76 -1.16 118.68 121.07 2kc0 s LEU 224 Ca -0.11 -0.97 0.04 0.00 0.05 0.00 0.00 54.13 53.14 2kc0 s LEU 224 Cb -0.14 1.37 -0.05 0.00 -2.05 0.00 0.00 46.19 45.32 2kc0 s LEU 224 CO 0.00 -1.01 -0.01 -0.83 -0.55 0.00 0.00 176.35 173.95 2kc0 s GLY 225 N -3.02 1.64 0.13 -3.48 0.00 -0.69 -0.86 107.32 101.03 2kc0 s GLY 225 Ca 0.23 -1.81 -0.25 0.00 0.00 0.00 0.00 44.72 42.89 2kc0 s GLY 225 CO 0.06 -1.70 0.77 -0.42 0.00 0.00 0.00 173.10 171.81 2kc0 s ILE 226 N -3.35 4.49 0.28 0.90 -1.09 -1.26 -2.83 121.20 118.34 2kc0 s ILE 226 Ca 0.29 1.67 0.02 0.00 -2.23 0.00 0.00 60.65 60.40 2kc0 s ILE 226 Cb 0.06 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 2kc0 s ILE 226 CO 0.10 0.47 0.14 -0.36 -1.23 0.00 0.00 174.94 174.06 2kc0 s PHE 227 N -0.80 1.53 0.00 3.97 0.08 -0.40 -4.25 117.98 118.10 2kc0 s PHE 227 Ca 0.36 -1.31 0.00 0.00 0.12 0.00 0.00 56.93 56.10 2kc0 s PHE 227 Cb -0.22 -0.83 0.00 0.00 -0.57 0.00 0.00 43.02 41.39 2kc0 s PHE 227 CO 0.25 -0.48 0.00 0.41 -0.10 0.00 0.00 175.22 175.30 2kc0 n GLY 228 N -0.50 0.77 4.54 4.36 0.00 -1.26 -1.67 105.19 111.42 2kc0 n GLY 228 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.36 2kc0 n GLY 228 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 229 N -0.77 0.80 1.66 -0.02 0.00 -1.26 -3.71 105.19 101.89 2kc0 n GLY 229 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2kc0 n GLY 229 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kc0 n LYS 230 N 0.00 0.00 -3.15 1.61 4.81 -1.26 -4.62 118.16 115.55 2kc0 n LYS 230 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.48 2kc0 n LYS 230 Cb 0.00 -0.15 -0.00 0.00 0.02 0.00 0.00 35.03 34.90 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kc0 s ALA 231 N -2.00 -2.87 0.00 3.14 0.00 -1.24 -4.78 121.76 114.01 2kc0 s ALA 231 Ca 0.00 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2kc0 s ALA 231 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.57 2kc0 s ALA 231 CO 0.00 -1.78 0.00 1.04 0.00 0.00 0.00 175.76 175.02 2kc0 n GLN 232 N 5.35 1.02 -3.83 0.00 1.13 -0.67 -4.96 117.38 115.42 2kc0 n GLN 232 Ca 0.04 0.00 -0.07 0.00 -1.94 0.00 0.00 57.00 55.03 2kc0 n GLN 232 Cb 0.54 -0.77 0.01 0.00 0.11 0.00 0.00 30.24 30.13 2kc0 n GLN 232 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2kc0 s GLU 233 N -1.55 1.83 -0.01 -1.09 -1.05 -1.20 -1.99 118.70 113.65 2kc0 s GLU 233 Ca 0.00 -1.12 0.00 0.00 -0.15 0.00 0.00 54.97 53.71 2kc0 s GLU 233 Cb 0.00 0.55 0.02 0.00 -0.44 0.00 0.00 34.13 34.26 2kc0 s GLU 233 CO 0.00 -0.85 0.01 0.14 0.95 0.00 0.00 175.26 175.51 2kc0 s VAL 234 N -2.88 0.01 0.13 1.83 -7.23 0.04 -1.28 120.40 111.02 2kc0 s VAL 234 Ca 0.15 0.11 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 2kc0 s VAL 234 Cb -0.04 -0.08 -0.00 0.00 0.56 0.00 0.00 36.38 36.81 2kc0 s VAL 234 CO 0.08 0.06 0.26 0.00 -0.31 0.00 0.00 175.10 175.20 2kc0 s ALA 235 N 0.62 -0.19 0.00 1.32 0.00 -1.13 -1.49 121.76 120.89 2kc0 s ALA 235 Ca -0.05 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.22 2kc0 s ALA 235 Cb -0.08 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.74 2kc0 s ALA 235 CO -0.02 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.56 2kc0 n GLY 236 N -0.16 -0.56 3.09 0.00 0.00 -1.19 -1.70 105.19 104.68 2kc0 n GLY 236 Ca -0.11 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.31 2kc0 n GLY 236 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 237 N -4.00 0.04 -0.00 1.61 1.04 -0.31 -1.61 113.70 110.46 2kc0 s SER 237 Ca 0.00 -0.22 0.01 0.00 0.48 0.00 0.00 55.95 56.23 2kc0 s SER 237 Cb 0.00 0.20 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 2kc0 s SER 237 CO 0.00 -0.35 -0.04 0.00 0.98 0.00 0.00 173.24 173.83 2kc0 s ALA 238 N -1.34 0.33 -0.01 5.32 0.00 -0.57 -1.17 121.76 124.32 2kc0 s ALA 238 Ca -0.14 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.70 2kc0 s ALA 238 Cb -0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2kc0 s ALA 238 CO 0.01 0.08 -0.19 -1.21 0.00 0.00 0.00 175.76 174.45 2kc0 s GLU 239 N -0.10 1.53 -0.06 0.00 8.01 -0.59 -0.77 118.70 126.72 2kc0 s GLU 239 Ca 0.01 -0.71 0.03 0.00 0.01 0.00 0.00 54.97 54.32 2kc0 s GLU 239 Cb -0.02 -1.50 0.01 0.00 -4.31 0.00 0.00 34.13 28.31 2kc0 s GLU 239 CO -0.00 0.41 -0.15 0.54 0.01 0.00 0.00 175.26 176.06 2kc0 s VAL 240 N -0.49 1.35 -0.24 2.63 0.11 -0.71 -0.90 120.40 122.15 2kc0 s VAL 240 Ca 0.07 -0.63 -0.10 0.00 -2.93 0.00 0.00 61.98 58.39 2kc0 s VAL 240 Cb -0.08 -1.19 -0.05 0.00 -1.53 0.00 0.00 36.38 33.54 2kc0 s VAL 240 CO -0.00 0.40 0.16 -1.59 -3.33 0.00 0.00 175.10 170.73 2kc0 s LYS 241 N 0.38 4.08 0.44 1.54 -2.85 -1.26 -1.02 119.74 121.05 2kc0 s LYS 241 Ca -0.11 -0.27 0.04 0.00 -1.00 0.00 0.00 55.97 54.63 2kc0 s LYS 241 Cb -0.14 -3.52 -0.04 0.00 -2.06 0.00 0.00 37.83 32.06 2kc0 s LYS 241 CO 0.04 0.08 0.02 -0.08 0.10 0.00 0.00 175.35 175.51 2kc0 s THR 242 N 0.99 1.40 0.43 3.79 -1.32 0.29 -4.34 115.64 116.88 2kc0 s THR 242 Ca 0.07 -2.00 0.20 0.00 -1.21 0.00 0.00 61.69 58.76 2kc0 s THR 242 Cb -0.13 -2.54 0.41 0.00 -1.51 0.00 0.00 72.50 68.72 2kc0 s THR 242 CO 0.04 0.00 1.82 0.58 -2.21 0.00 0.00 174.62 174.85 2kc0 h VAL 243 N 1.63 0.59 0.00 5.08 2.07 -2.00 -0.37 116.25 123.24 2kc0 h VAL 243 Ca -0.43 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 66.98 2kc0 h VAL 243 Cb 1.28 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 2kc0 h VAL 243 CO 0.74 0.06 0.00 0.59 0.02 0.00 0.00 177.57 178.98 2kc0 n ASN 244 N -4.51 0.86 0.00 0.57 3.02 -1.26 -5.02 115.26 108.92 2kc0 n ASN 244 Ca 0.22 -1.93 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 2kc0 n ASN 244 Cb 0.83 -0.43 0.00 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.07 -0.42 3.86 7.41 0.00 -0.15 -4.90 105.19 111.06 2kc0 n GLY 245 Ca 0.00 -1.12 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 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 5.45 -0.22 -0.61 2.07 -1.26 -0.55 121.20 126.08 2kc0 s ILE 246 Ca 0.00 0.19 -0.04 0.00 -1.41 0.00 0.00 60.65 59.39 2kc0 s ILE 246 Cb 0.00 -3.37 -0.01 0.00 0.13 0.00 0.00 42.46 39.20 2kc0 s ILE 246 CO 0.00 0.61 -0.04 -0.13 -1.91 0.00 0.00 174.94 173.47 2kc0 s ARG 247 N -0.94 3.40 -0.02 3.50 3.00 -0.19 -4.99 118.95 122.71 2kc0 s ARG 247 Ca 0.14 -0.61 -0.20 0.00 0.00 0.00 0.00 55.73 55.06 2kc0 s ARG 247 Cb -0.12 -3.02 -0.05 0.00 0.00 0.00 0.00 34.95 31.76 2kc0 s ARG 247 CO 0.04 -0.18 0.57 -1.01 0.00 0.00 0.00 175.30 174.72 2kc0 s HIS 248 N 1.44 3.66 -0.01 -0.53 3.76 -1.26 -1.74 115.29 120.60 2kc0 s HIS 248 Ca 0.05 1.14 0.01 0.00 -0.15 0.00 0.00 55.06 56.11 2kc0 s HIS 248 Cb -0.14 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 30.97 2kc0 s HIS 248 CO -0.02 0.34 -0.04 0.42 -0.85 0.00 0.00 174.74 174.58 2kc0 s ILE 249 N -0.10 0.37 0.25 0.60 1.01 0.05 -3.82 121.20 119.56 2kc0 s ILE 249 Ca 0.30 -0.16 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 2kc0 s ILE 249 Cb -0.18 -0.34 -0.09 0.00 0.01 0.00 0.00 42.46 41.86 2kc0 s ILE 249 CO 0.16 0.13 0.76 -0.83 0.00 0.00 0.00 174.94 175.15 2kc0 s GLY 250 N 0.14 2.61 -0.20 6.18 0.00 -0.77 -1.51 107.32 113.77 2kc0 s GLY 250 Ca -0.01 0.20 -0.08 0.00 0.00 0.00 0.00 44.72 44.83 2kc0 s GLY 250 CO -0.00 0.55 0.09 1.08 0.00 0.00 0.00 173.10 174.82 2kc0 s LEU 251 N -2.10 3.94 -0.35 0.66 2.01 -0.64 -3.83 118.68 118.37 2kc0 s LEU 251 Ca 0.45 0.11 0.02 0.00 0.01 0.00 0.00 54.13 54.73 2kc0 s LEU 251 Cb -0.16 -2.01 0.15 0.00 0.01 0.00 0.00 46.19 44.18 2kc0 s LEU 251 CO 0.21 0.16 0.35 0.00 1.01 0.00 0.00 176.35 178.07 2kc0 s ALA 252 N 0.49 -0.37 -0.15 4.21 0.00 -1.15 -3.15 121.76 121.64 2kc0 s ALA 252 Ca 0.05 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.15 2kc0 s ALA 252 Cb -0.12 -1.97 0.02 0.00 0.00 0.00 0.00 23.12 21.04 2kc0 s ALA 252 CO 0.00 -2.04 -0.19 0.00 0.00 0.00 0.00 175.76 173.53 2kc0 s ALA 253 N 1.62 2.15 0.04 0.00 0.00 -0.56 -0.89 121.76 124.13 2kc0 s ALA 253 Ca 0.15 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.10 2kc0 s ALA 253 Cb -0.15 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 21.90 2kc0 s ALA 253 CO -0.10 -0.19 -0.14 0.21 0.00 0.00 0.00 175.76 175.54 2kc0 s LYS 254 N 1.09 0.90 0.00 0.00 2.20 -1.01 -0.78 119.74 122.14 2kc0 s LYS 254 Ca -0.01 -0.78 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 2kc0 s LYS 254 Cb -0.14 -0.90 0.00 0.00 -1.51 0.00 0.00 37.83 35.28 2kc0 s LYS 254 CO -0.07 0.22 0.38 0.94 -0.36 0.00 0.00 175.35 176.45