#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 0.28 0.35 0.00 0.00 -1.26 -3.56 105.19 100.99 2kc0 n GLY 15 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.03 0.92 -1.29 0.99 3.38 -1.94 -1.70 115.31 116.70 2kc0 h LEU 16 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2kc0 h LEU 16 Cb 0.10 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2kc0 h LEU 16 CO 0.00 0.73 0.17 0.00 0.09 0.00 0.00 178.44 179.43 2kc0 h ALA 17 N 1.43 1.44 0.41 1.53 0.00 -1.72 -2.51 119.26 119.83 2kc0 h ALA 17 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kc0 h ALA 17 Cb -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2kc0 h ALA 17 CO -0.05 0.42 -0.20 0.22 0.00 0.00 0.00 179.25 179.65 2kc0 h ASP 18 N 0.65 -0.46 -0.91 0.00 3.58 -1.61 -2.26 116.42 115.41 2kc0 h ASP 18 Ca 0.16 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.55 2kc0 h ASP 18 Cb 0.15 0.12 -0.06 0.00 1.72 0.00 0.00 39.33 41.26 2kc0 h ASP 18 CO -0.01 -0.14 0.60 0.00 -2.88 0.00 0.00 179.24 176.80 2kc0 h ALA 19 N -0.35 1.46 -0.00 -0.78 0.00 -1.44 -0.51 119.26 117.64 2kc0 h ALA 19 Ca -0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kc0 h ALA 19 Cb 0.54 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kc0 h ALA 19 CO 0.09 0.43 -0.06 1.28 0.00 0.00 0.00 179.25 180.99 2kc0 n LEU 20 N -4.46 0.15 -0.10 0.00 7.99 -0.95 -3.76 117.00 115.86 2kc0 n LEU 20 Ca 0.13 0.26 -0.13 0.00 -0.01 0.00 0.00 56.01 56.26 2kc0 n LEU 20 Cb 0.14 -0.32 -0.10 0.00 -0.11 0.00 0.00 43.42 43.03 2kc0 n LEU 20 CO 0.34 0.03 -1.15 0.35 -1.51 0.00 0.00 177.39 175.45 2kc0 n THR 21 N -1.28 1.18 -3.65 -5.08 -2.24 -0.86 -4.71 114.28 97.64 2kc0 n THR 21 Ca 0.12 -0.51 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 2kc0 n THR 21 Cb 0.28 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.36 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 -2.41 -1.16 0.83 6.98 0.00 -0.25 -5.11 121.76 120.63 2kc0 s ALA 22 Ca -0.24 0.58 -0.11 0.00 0.00 0.00 0.00 51.96 52.19 2kc0 s ALA 22 Cb 0.07 0.20 0.09 0.00 0.00 0.00 0.00 23.12 23.47 2kc0 s ALA 22 CO 0.53 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.74 2kc0 s PRO 23 N -1.86 1.84 0.00 0.00 0.04 -1.26 -3.90 135.00 129.86 2kc0 s PRO 23 Ca -0.09 0.82 0.00 0.00 0.04 0.00 0.00 61.00 61.77 2kc0 s PRO 23 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.65 2kc0 s PRO 23 CO 0.02 -1.83 0.00 1.47 0.04 0.00 0.00 177.00 176.70 2kc0 n LEU 24 N -3.61 0.00 0.00 -3.56 -0.00 -1.26 -5.04 117.00 103.53 2kc0 n LEU 24 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 2kc0 n LEU 24 Cb 0.55 0.09 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 2kc0 n LEU 24 CO 0.56 -0.27 0.00 0.47 -0.00 0.00 0.00 177.39 178.15 2kc0 n ASP 25 N -2.04 0.00 0.00 1.45 8.00 -1.26 -4.79 116.55 117.91 2kc0 n ASP 25 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kc0 n ASP 25 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 2kc0 n HIS 26 N 0.00 0.00 -0.06 1.24 -0.00 -1.26 -2.21 115.22 112.93 2kc0 n HIS 26 Ca 0.00 0.00 -0.14 0.00 0.46 0.00 0.00 57.72 58.04 2kc0 n HIS 26 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 2kc0 n HIS 26 CO 0.00 0.00 0.00 1.57 0.46 0.00 0.00 176.34 178.37 2kc0 h LYS 27 N 0.00 0.53 -2.75 1.57 2.10 -1.93 -3.49 116.57 112.60 2kc0 h LYS 27 Ca 0.00 -0.32 0.32 0.00 -2.00 0.00 0.00 60.65 58.65 2kc0 h LYS 27 Cb 0.00 0.03 -0.10 0.00 -0.90 0.00 0.00 32.23 31.27 2kc0 h LYS 27 CO 0.00 0.93 -0.55 -0.25 -2.00 0.00 0.00 179.45 177.58 2kc0 n ASP 28 N -4.35 -7.25 -0.67 7.07 8.00 -1.26 -4.92 116.55 113.15 2kc0 n ASP 28 Ca -0.06 0.61 -0.09 0.00 0.71 0.00 0.00 54.79 55.97 2kc0 n ASP 28 Cb 0.47 -3.77 -0.04 0.00 -0.02 0.00 0.00 41.12 37.77 2kc0 n ASP 28 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2kc0 n LYS 29 N -3.83 -1.76 -0.14 -1.24 4.76 -1.26 -4.84 118.16 109.85 2kc0 n LYS 29 Ca -0.01 0.78 0.00 0.00 -2.87 0.00 0.00 58.31 56.21 2kc0 n LYS 29 Cb 0.56 -5.16 0.00 0.00 -1.84 0.00 0.00 35.03 28.59 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 0.39 2.53 3.68 0.72 0.00 -1.26 -5.13 105.19 106.12 2kc0 n GLY 30 Ca -0.09 -0.76 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 2kc0 n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2kc0 n LEU 31 N 0.00 3.62 0.00 0.99 7.94 -1.26 -4.84 117.00 123.45 2kc0 n LEU 31 Ca 0.00 0.96 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 2kc0 n LEU 31 Cb 0.00 -1.41 0.00 0.00 0.53 0.00 0.00 43.42 42.54 2kc0 n LEU 31 CO 0.00 0.01 0.08 0.00 -1.11 0.00 0.00 177.39 176.37 2kc0 n GLN 32 N 6.74 0.72 -3.85 1.96 1.13 -1.26 -4.91 117.38 117.90 2kc0 n GLN 32 Ca 0.22 -0.16 -0.08 0.00 -1.94 0.00 0.00 57.00 55.04 2kc0 n GLN 32 Cb 0.32 -0.58 -0.00 0.00 0.11 0.00 0.00 30.24 30.09 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kc0 s SER 33 N -0.15 -0.10 0.19 1.08 1.04 -1.26 -0.66 113.70 113.83 2kc0 s SER 33 Ca 0.00 -0.88 0.11 0.00 0.48 0.00 0.00 55.95 55.66 2kc0 s SER 33 Cb 0.00 0.77 -0.04 0.00 0.10 0.00 0.00 66.02 66.85 2kc0 s SER 33 CO 0.00 -1.48 -0.21 -0.76 0.98 0.00 0.00 173.24 171.77 2kc0 s LEU 34 N -3.00 2.56 -0.07 2.42 1.43 -0.26 -4.96 118.68 116.79 2kc0 s LEU 34 Ca 0.14 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2kc0 s LEU 34 Cb -0.05 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.89 2kc0 s LEU 34 CO 0.09 0.12 -0.11 -0.89 0.23 0.00 0.00 176.35 175.79 2kc0 s THR 35 N -1.64 1.12 -0.48 5.49 2.01 -1.26 -0.53 115.64 120.35 2kc0 s THR 35 Ca 0.21 -0.45 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 2kc0 s THR 35 Cb -0.08 -1.04 0.08 0.00 0.01 0.00 0.00 72.50 71.46 2kc0 s THR 35 CO 0.11 0.36 0.40 -0.76 -0.69 0.00 0.00 174.62 174.04 2kc0 s LEU 36 N 0.84 5.66 0.00 4.42 1.02 -1.07 -4.75 118.68 124.80 2kc0 s LEU 36 Ca -0.11 -1.38 0.00 0.00 0.02 0.00 0.00 54.13 52.66 2kc0 s LEU 36 Cb -0.15 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 43.88 2kc0 s LEU 36 CO 0.02 -0.66 0.00 -0.67 0.02 0.00 0.00 176.35 175.05 2kc0 n ASP 37 N 5.20 3.68 0.08 2.29 2.03 -1.26 -4.35 116.55 124.22 2kc0 n ASP 37 Ca -0.12 0.00 0.08 0.00 0.52 0.00 0.00 54.79 55.26 2kc0 n ASP 37 Cb 0.43 0.68 -0.03 0.00 -0.72 0.00 0.00 41.12 41.48 2kc0 n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kc0 n GLN 38 N -1.18 0.61 0.12 -0.67 0.00 -1.26 -4.36 117.38 110.64 2kc0 n GLN 38 Ca 0.00 0.15 -0.21 0.00 0.00 0.00 0.00 57.00 56.94 2kc0 n GLN 38 Cb 0.06 -1.82 -0.15 0.00 0.00 0.00 0.00 30.24 28.33 2kc0 n GLN 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 2kc0 h SER 39 N 0.00 0.65 -5.12 2.61 4.64 -1.94 -3.48 113.55 110.91 2kc0 h SER 39 Ca -0.05 -0.72 -0.13 0.00 -0.47 0.00 0.00 61.79 60.41 2kc0 h SER 39 Cb 1.19 -0.21 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 2kc0 h SER 39 CO 0.01 1.57 -0.60 0.54 -0.87 0.00 0.00 176.83 177.49 2kc0 s VAL 40 N -2.62 0.16 0.41 0.95 0.11 -1.26 -5.09 120.40 113.06 2kc0 s VAL 40 Ca -0.08 -1.31 0.08 0.00 -2.93 0.00 0.00 61.98 57.74 2kc0 s VAL 40 Cb 0.05 -1.03 -0.04 0.00 -1.53 0.00 0.00 36.38 33.84 2kc0 s VAL 40 CO 0.91 -0.72 0.27 0.00 -3.33 0.00 0.00 175.10 172.23 2kc0 s ARG 41 N -2.94 2.39 0.17 1.54 1.70 -1.26 -4.77 118.95 115.78 2kc0 s ARG 41 Ca -0.02 -1.67 -0.12 0.00 -0.47 0.00 0.00 55.73 53.45 2kc0 s ARG 41 Cb 0.01 -2.19 0.18 0.00 -0.57 0.00 0.00 34.95 32.38 2kc0 s ARG 41 CO -0.06 -0.12 1.13 1.63 -1.08 0.00 0.00 175.30 176.80 2kc0 n LYS 42 N -1.37 -0.17 -0.27 3.89 5.02 -1.26 -1.05 118.16 122.95 2kc0 n LYS 42 Ca 0.01 1.12 0.07 0.00 -2.02 0.00 0.00 58.31 57.50 2kc0 n LYS 42 Cb 0.63 -1.67 0.22 0.00 -0.02 0.00 0.00 35.03 34.19 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kc0 n ASN 43 N -5.08 2.71 -4.10 4.39 6.94 -1.26 -4.79 115.26 114.07 2kc0 n ASN 43 Ca 0.08 -2.05 -0.31 0.00 -0.02 0.00 0.00 54.58 52.27 2kc0 n ASN 43 Cb 0.30 -0.35 -0.16 0.00 -2.36 0.00 0.00 39.78 37.20 2kc0 n ASN 43 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 2kc0 s GLU 44 N -1.42 2.68 -0.41 -3.83 2.12 -0.21 -4.30 118.70 113.32 2kc0 s GLU 44 Ca 0.33 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.91 2kc0 s GLU 44 Cb 0.18 -2.29 0.11 0.00 0.26 0.00 0.00 34.13 32.39 2kc0 s GLU 44 CO 0.21 -0.14 0.21 0.21 -0.54 0.00 0.00 175.26 175.21 2kc0 s LYS 45 N 1.15 2.00 0.34 4.30 2.20 0.65 -4.43 119.74 125.95 2kc0 s LYS 45 Ca -0.00 -1.83 -0.06 0.00 -0.36 0.00 0.00 55.97 53.72 2kc0 s LYS 45 Cb -0.14 -3.58 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2kc0 s LYS 45 CO -0.07 -1.07 0.63 -0.48 -0.36 0.00 0.00 175.35 173.99 2kc0 s LEU 46 N 1.12 3.95 -0.11 5.43 0.05 -0.19 -1.11 118.68 127.83 2kc0 s LEU 46 Ca 0.08 0.80 0.03 0.00 0.05 0.00 0.00 54.13 55.09 2kc0 s LEU 46 Cb -0.23 -3.65 0.01 0.00 -2.05 0.00 0.00 46.19 40.27 2kc0 s LEU 46 CO -0.04 -0.30 -0.21 -0.75 -0.55 0.00 0.00 176.35 174.50 2kc0 s LYS 47 N -3.84 2.85 -0.10 1.48 2.20 -0.32 -0.78 119.74 121.23 2kc0 s LYS 47 Ca 0.45 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 55.27 2kc0 s LYS 47 Cb -0.10 -2.24 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 2kc0 s LYS 47 CO 0.33 0.07 -0.13 -1.17 -0.36 0.00 0.00 175.35 174.09 2kc0 s LEU 48 N 0.60 2.76 -0.22 5.43 1.98 -0.24 -1.40 118.68 127.60 2kc0 s LEU 48 Ca -0.13 -0.26 -0.26 0.00 -2.89 0.00 0.00 54.13 50.58 2kc0 s LEU 48 Cb -0.17 -1.60 0.07 0.00 0.66 0.00 0.00 46.19 45.15 2kc0 s LEU 48 CO 0.04 0.23 0.72 0.00 -1.89 0.00 0.00 176.35 175.45 2kc0 s ALA 49 N -0.05 -1.78 -0.04 5.97 0.00 -0.99 -0.61 121.76 124.26 2kc0 s ALA 49 Ca -0.02 1.87 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 2kc0 s ALA 49 Cb -0.14 -0.93 0.08 0.00 0.00 0.00 0.00 23.12 22.13 2kc0 s ALA 49 CO 0.04 -0.34 0.73 0.00 0.00 0.00 0.00 175.76 176.19 2kc0 s ALA 50 N 0.03 -1.78 -1.46 0.00 0.00 -0.79 -2.44 121.76 115.33 2kc0 s ALA 50 Ca -0.02 1.24 -0.10 0.00 0.00 0.00 0.00 51.96 53.09 2kc0 s ALA 50 Cb -0.04 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.14 2kc0 s ALA 50 CO 0.03 -0.43 0.79 1.04 0.00 0.00 0.00 175.76 177.19 2kc0 n GLN 51 N 0.66 -5.20 -0.68 0.00 6.02 -1.26 -2.00 117.38 114.92 2kc0 n GLN 51 Ca -0.17 0.69 0.00 0.00 -0.01 0.00 0.00 57.00 57.51 2kc0 n GLN 51 Cb 0.58 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 26.29 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2kc0 n GLY 52 N -1.57 0.67 3.50 1.08 0.00 -1.26 -4.45 105.19 103.16 2kc0 n GLY 52 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.10 2.82 -0.05 4.61 0.00 -0.85 -5.04 121.76 121.15 2kc0 s ALA 53 Ca 0.00 -1.89 -0.11 0.00 0.00 0.00 0.00 51.96 49.96 2kc0 s ALA 53 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kc0 s ALA 53 CO 0.00 0.25 0.26 -1.83 0.00 0.00 0.00 175.76 174.44 2kc0 s GLU 54 N -3.54 0.48 -0.03 0.00 -1.05 -1.26 -1.88 118.70 111.42 2kc0 s GLU 54 Ca 0.31 0.02 -0.01 0.00 -0.15 0.00 0.00 54.97 55.13 2kc0 s GLU 54 Cb -0.04 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.89 2kc0 s GLU 54 CO 0.16 -0.11 0.06 0.21 0.95 0.00 0.00 175.26 176.53 2kc0 s LYS 55 N -0.70 0.02 -0.11 -4.83 2.47 0.23 -4.99 119.74 111.83 2kc0 s LYS 55 Ca -0.08 0.20 -0.25 0.00 -1.56 0.00 0.00 55.97 54.28 2kc0 s LYS 55 Cb -0.04 -0.15 -0.03 0.00 -1.46 0.00 0.00 37.83 36.15 2kc0 s LYS 55 CO 0.02 -0.12 0.78 0.99 0.16 0.00 0.00 175.35 177.18 2kc0 s THR 56 N 0.78 4.96 -0.08 3.43 2.01 -1.26 -1.07 115.64 124.42 2kc0 s THR 56 Ca -0.06 1.57 -0.00 0.00 0.31 0.00 0.00 61.69 63.51 2kc0 s THR 56 Cb -0.09 -4.10 -0.03 0.00 0.01 0.00 0.00 72.50 68.29 2kc0 s THR 56 CO -0.03 0.15 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.70 2kc0 s TYR 57 N 1.41 3.03 -0.46 4.92 2.02 0.04 -5.00 117.35 123.31 2kc0 s TYR 57 Ca 0.39 0.09 0.06 0.00 -0.37 0.00 0.00 57.07 57.25 2kc0 s TYR 57 Cb -0.18 -1.74 0.32 0.00 -0.40 0.00 0.00 41.96 39.96 2kc0 s TYR 57 CO 0.17 0.39 1.10 0.41 -1.57 0.00 0.00 175.55 176.05 2kc0 n GLY 58 N 2.19 0.73 1.10 0.71 0.00 -1.26 -1.02 105.19 107.65 2kc0 n GLY 58 Ca -0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2kc0 n GLY 58 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kc0 n ASN 59 N 0.35 -6.25 -0.23 1.61 5.15 -1.26 -4.95 115.26 109.68 2kc0 n ASN 59 Ca 0.07 0.91 -0.03 0.00 -0.60 0.00 0.00 54.58 54.93 2kc0 n ASN 59 Cb 0.70 -3.06 -0.01 0.00 -0.53 0.00 0.00 39.78 36.88 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 -1.06 0.57 4.03 8.20 0.00 -1.26 -5.05 105.19 110.62 2kc0 n GLY 60 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.88 2kc0 n GLY 60 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 61 N -2.96 5.00 0.26 1.61 1.01 -1.26 -5.01 116.67 115.32 2kc0 s ASP 61 Ca 0.00 -0.77 -0.21 0.00 0.71 0.00 0.00 52.55 52.28 2kc0 s ASP 61 Cb 0.00 0.24 0.04 0.00 1.01 0.00 0.00 42.92 44.21 2kc0 s ASP 61 CO 0.00 -1.41 0.81 -0.94 0.21 0.00 0.00 175.17 173.84 2kc0 s SER 62 N -4.67 -0.18 -0.26 0.27 1.04 -1.26 -2.59 113.70 106.05 2kc0 s SER 62 Ca 0.62 -0.66 -0.04 0.00 0.48 0.00 0.00 55.95 56.36 2kc0 s SER 62 Cb -0.06 0.68 0.10 0.00 0.10 0.00 0.00 66.02 66.84 2kc0 s SER 62 CO 0.40 -1.28 0.15 -0.22 0.98 0.00 0.00 173.24 173.27 2kc0 s LEU 63 N -2.98 0.34 0.18 2.42 0.20 0.31 -4.95 118.68 114.20 2kc0 s LEU 63 Ca 0.13 -1.01 -0.30 0.00 0.69 0.00 0.00 54.13 53.64 2kc0 s LEU 63 Cb -0.05 -0.15 -0.08 0.00 -0.43 0.00 0.00 46.19 45.49 2kc0 s LEU 63 CO 0.07 -0.41 0.95 0.20 -0.29 0.00 0.00 176.35 176.86 2kc0 s ASN 64 N 2.16 7.58 -0.02 3.68 -0.87 -1.26 -1.10 114.94 125.11 2kc0 s ASN 64 Ca 0.08 1.88 0.09 0.00 -1.57 0.00 0.00 52.86 53.34 2kc0 s ASN 64 Cb -0.16 -2.60 0.17 0.00 -0.02 0.00 0.00 41.25 38.64 2kc0 s ASN 64 CO -0.30 0.07 1.08 1.07 -2.57 0.00 0.00 177.10 176.45 2kc0 n THR 65 N 2.04 0.03 0.00 1.60 5.66 0.16 -4.72 114.28 119.05 2kc0 n THR 65 Ca -0.00 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.57 2kc0 n THR 65 Cb 0.48 0.70 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 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 0.08 -2.90 2.44 1.09 0.00 -0.87 -3.68 105.19 101.36 2kc0 n GLY 66 Ca -0.16 0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2kc0 n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kc0 n LYS 67 N -0.86 3.90 -3.04 1.61 4.81 -0.94 -4.77 118.16 118.87 2kc0 n LYS 67 Ca 0.00 -2.98 -0.26 0.00 -0.87 0.00 0.00 58.31 54.20 2kc0 n LYS 67 Cb 0.00 -2.51 -0.05 0.00 0.02 0.00 0.00 35.03 32.50 2kc0 n LYS 67 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kc0 n LEU 68 N 1.74 3.90 -1.19 3.14 0.00 -1.24 -4.95 117.00 118.39 2kc0 n LEU 68 Ca 0.60 -5.56 0.16 0.00 0.00 0.00 0.00 56.01 51.21 2kc0 n LEU 68 Cb 0.34 -0.41 -0.04 0.00 0.00 0.00 0.00 43.42 43.31 2kc0 n LEU 68 CO 0.60 2.30 -0.22 1.17 0.00 0.00 0.00 177.39 181.24 2kc0 n LYS 69 N 0.00 -2.39 -4.29 1.96 0.00 -1.26 -4.98 118.16 107.20 2kc0 n LYS 69 Ca 0.30 1.58 -0.16 0.00 0.00 0.00 0.00 58.31 60.04 2kc0 n LYS 69 Cb 0.43 -2.92 -0.10 0.00 0.00 0.00 0.00 35.03 32.43 2kc0 n LYS 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kc0 s ASN 70 N -6.05 1.97 -1.28 3.14 0.01 -1.26 -4.92 114.94 106.54 2kc0 s ASN 70 Ca 0.00 -1.05 -0.00 0.00 -0.71 0.00 0.00 52.86 51.10 2kc0 s ASN 70 Cb 0.00 -0.03 0.00 0.00 0.41 0.00 0.00 41.25 41.63 2kc0 s ASN 70 CO 0.00 -0.33 0.76 -0.67 -1.51 0.00 0.00 177.10 175.35 2kc0 n ASP 71 N -0.28 -1.36 -4.12 -1.22 2.03 -0.12 -4.94 116.55 106.54 2kc0 n ASP 71 Ca -0.09 -0.78 -0.10 0.00 0.52 0.00 0.00 54.79 54.34 2kc0 n ASP 71 Cb 0.61 -4.29 -0.09 0.00 -0.72 0.00 0.00 41.12 36.63 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 -5.85 1.12 -0.22 -0.67 -2.85 -0.23 -4.98 119.74 106.06 2kc0 s LYS 72 Ca 0.01 -1.45 -0.22 0.00 -1.00 0.00 0.00 55.97 53.31 2kc0 s LYS 72 Cb -0.00 0.30 -0.02 0.00 -2.06 0.00 0.00 37.83 36.04 2kc0 s LYS 72 CO 0.79 -0.37 0.69 0.14 0.10 0.00 0.00 175.35 176.71 2kc0 s VAL 73 N -4.07 4.96 -0.29 1.79 -7.23 -1.26 -0.72 120.40 113.58 2kc0 s VAL 73 Ca 0.28 1.29 -0.22 0.00 -1.81 0.00 0.00 61.98 61.52 2kc0 s VAL 73 Cb 0.06 -4.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.00 2kc0 s VAL 73 CO 0.06 0.04 0.73 -0.44 -0.31 0.00 0.00 175.10 175.18 2kc0 s SER 74 N 1.31 6.64 -0.04 4.85 0.01 0.03 -4.97 113.70 121.53 2kc0 s SER 74 Ca 0.30 0.67 -0.19 0.00 1.31 0.00 0.00 55.95 58.05 2kc0 s SER 74 Cb -0.16 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.64 2kc0 s SER 74 CO 0.09 -0.53 0.53 0.00 0.41 0.00 0.00 173.24 173.74 2kc0 s ARG 75 N 2.79 4.25 -0.10 12.44 1.70 -1.26 -2.07 118.95 136.70 2kc0 s ARG 75 Ca 0.30 0.59 -0.09 0.00 -0.47 0.00 0.00 55.73 56.06 2kc0 s ARG 75 Cb -0.15 -3.35 0.03 0.00 -0.57 0.00 0.00 34.95 30.91 2kc0 s ARG 75 CO 0.11 0.37 0.27 -0.06 -1.08 0.00 0.00 175.30 174.91 2kc0 s PHE 76 N -0.13 -0.30 0.18 5.89 0.08 -1.00 -4.86 117.98 117.84 2kc0 s PHE 76 Ca 0.28 0.73 -0.07 0.00 0.12 0.00 0.00 56.93 57.99 2kc0 s PHE 76 Cb -0.17 0.10 -0.06 0.00 -0.57 0.00 0.00 43.02 42.32 2kc0 s PHE 76 CO 0.14 -0.14 0.46 0.34 -0.10 0.00 0.00 175.22 175.92 2kc0 s ASP 77 N 0.16 6.56 -0.02 1.36 -1.08 -1.02 -2.03 116.67 120.60 2kc0 s ASP 77 Ca -0.00 0.75 -0.05 0.00 -0.52 0.00 0.00 52.55 52.72 2kc0 s ASP 77 Cb -0.02 -2.16 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 2kc0 s ASP 77 CO 0.00 0.00 0.12 0.12 0.52 0.00 0.00 175.17 175.94 2kc0 s PHE 78 N -1.71 -0.01 -0.00 -5.34 2.19 -0.96 -2.35 117.98 109.80 2kc0 s PHE 78 Ca 0.43 0.02 0.01 0.00 0.33 0.00 0.00 56.93 57.73 2kc0 s PHE 78 Cb -0.12 -0.02 -0.00 0.00 -1.31 0.00 0.00 43.02 41.56 2kc0 s PHE 78 CO 0.23 -0.19 -0.03 0.42 1.83 0.00 0.00 175.22 177.47 2kc0 s ILE 79 N -0.81 0.24 -0.16 3.12 1.01 -0.49 0.40 121.20 124.50 2kc0 s ILE 79 Ca -0.09 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.33 2kc0 s ILE 79 Cb -0.05 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.17 2kc0 s ILE 79 CO 0.01 0.05 0.07 -0.13 0.00 0.00 0.00 174.94 174.93 2kc0 s ARG 80 N -0.12 3.82 0.03 2.79 1.81 0.28 -1.17 118.95 126.39 2kc0 s ARG 80 Ca 0.01 -0.32 0.05 0.00 -1.72 0.00 0.00 55.73 53.75 2kc0 s ARG 80 Cb -0.01 -3.18 -0.02 0.00 -0.45 0.00 0.00 34.95 31.29 2kc0 s ARG 80 CO -0.00 0.38 -0.14 -0.65 -0.68 0.00 0.00 175.30 174.21 2kc0 s GLN 81 N 0.06 0.97 0.02 3.54 -0.21 -0.26 -4.19 119.66 119.58 2kc0 s GLN 81 Ca 0.06 -0.73 0.05 0.00 0.02 0.00 0.00 55.36 54.76 2kc0 s GLN 81 Cb -0.12 -0.97 -0.02 0.00 1.00 0.00 0.00 33.01 32.90 2kc0 s GLN 81 CO 0.01 0.24 -0.15 0.42 -2.12 0.00 0.00 175.29 173.69 2kc0 s ILE 82 N -0.79 1.23 -0.85 1.08 1.01 -1.26 -0.25 121.20 121.37 2kc0 s ILE 82 Ca 0.02 -0.87 -0.16 0.00 0.00 0.00 0.00 60.65 59.64 2kc0 s ILE 82 Cb -0.08 -1.06 0.18 0.00 0.01 0.00 0.00 42.46 41.51 2kc0 s ILE 82 CO 0.01 0.18 0.90 -0.70 0.00 0.00 0.00 174.94 175.33 2kc0 s GLU 83 N -0.80 3.56 -0.46 2.79 2.12 -1.26 -4.25 118.70 120.40 2kc0 s GLU 83 Ca 0.04 -2.12 -0.23 0.00 0.36 0.00 0.00 54.97 53.03 2kc0 s GLU 83 Cb -0.07 -4.60 0.03 0.00 0.26 0.00 0.00 34.13 29.75 2kc0 s GLU 83 CO 0.01 -1.49 0.80 0.08 -0.54 0.00 0.00 175.26 174.11 2kc0 s VAL 84 N 1.29 4.63 -1.27 3.70 1.01 -0.01 -3.87 120.40 125.88 2kc0 s VAL 84 Ca 0.23 0.38 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 2kc0 s VAL 84 Cb -0.09 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2kc0 s VAL 84 CO -0.08 -0.76 0.07 -0.67 0.00 0.00 0.00 175.10 173.66 2kc0 n ASP 85 N 6.77 -4.50 -0.12 3.32 2.03 -1.26 -0.61 116.55 122.19 2kc0 n ASP 85 Ca 0.02 0.07 -0.02 0.00 0.52 0.00 0.00 54.79 55.39 2kc0 n ASP 85 Cb 0.48 -3.78 -0.01 0.00 -0.72 0.00 0.00 41.12 37.10 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 86 N -0.92 0.52 3.66 0.27 0.00 -1.25 -5.05 105.19 102.41 2kc0 n GLY 86 Ca -0.16 -0.37 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.17 2.42 0.02 1.61 -1.52 0.22 -5.05 119.66 116.20 2kc0 s GLN 87 Ca 0.00 -0.94 0.08 0.00 -1.95 0.00 0.00 55.36 52.55 2kc0 s GLN 87 Cb 0.00 -2.45 -0.03 0.00 -0.22 0.00 0.00 33.01 30.31 2kc0 s GLN 87 CO 0.00 0.51 -0.24 -0.51 -0.25 0.00 0.00 175.29 174.81 2kc0 s LEU 88 N -2.42 2.27 -0.06 2.90 1.02 -1.26 -0.83 118.68 120.29 2kc0 s LEU 88 Ca 0.25 -0.50 0.05 0.00 0.02 0.00 0.00 54.13 53.95 2kc0 s LEU 88 Cb -0.11 -1.36 -0.01 0.00 0.02 0.00 0.00 46.19 44.73 2kc0 s LEU 88 CO 0.17 0.28 -0.23 -0.63 0.02 0.00 0.00 176.35 175.96 2kc0 s ILE 89 N -0.78 1.91 -0.47 -0.59 1.01 -1.26 -5.06 121.20 115.96 2kc0 s ILE 89 Ca 0.12 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.86 2kc0 s ILE 89 Cb -0.10 -1.62 0.39 0.00 0.01 0.00 0.00 42.46 41.14 2kc0 s ILE 89 CO 0.02 0.53 1.01 0.35 0.00 0.00 0.00 174.94 176.85 2kc0 n THR 90 N 3.10 2.32 -1.65 2.92 -2.24 -1.26 -4.61 114.28 112.86 2kc0 n THR 90 Ca -0.18 -4.96 0.00 0.00 -2.27 0.00 0.00 64.05 56.64 2kc0 n THR 90 Cb 0.52 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 2kc0 n THR 90 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kc0 n LEU 91 N -0.31 0.05 -4.53 3.22 4.77 -1.26 -5.03 117.00 113.90 2kc0 n LEU 91 Ca 0.32 -0.71 -0.37 0.00 -0.03 0.00 0.00 56.01 55.23 2kc0 n LEU 91 Cb 0.58 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.55 2kc0 n LEU 91 CO 0.32 0.18 -0.24 -1.61 -1.33 0.00 0.00 177.39 174.70 2kc0 s GLU 92 N -0.05 3.81 0.00 3.23 2.02 -1.26 -2.91 118.70 123.55 2kc0 s GLU 92 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.59 2kc0 s GLU 92 Cb 0.00 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2kc0 s GLU 92 CO 0.00 -0.09 0.00 -1.13 0.02 0.00 0.00 175.26 174.06 2kc0 n SER 93 N 4.68 0.00 0.00 -0.19 3.41 -1.26 -0.55 113.62 119.71 2kc0 n SER 93 Ca -0.16 -0.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.84 2kc0 n SER 93 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2kc0 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kc0 n GLY 94 N 5.00 -0.41 3.11 5.00 0.00 0.16 -4.28 105.19 113.78 2kc0 n GLY 94 Ca 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.96 2kc0 n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kc0 s GLU 95 N -2.00 0.69 -0.31 1.61 -6.30 0.43 -2.26 118.70 110.57 2kc0 s GLU 95 Ca 0.00 -1.24 0.00 0.00 -2.50 0.00 0.00 54.97 51.23 2kc0 s GLU 95 Cb 0.00 0.23 0.14 0.00 0.00 0.00 0.00 34.13 34.50 2kc0 s GLU 95 CO 0.00 -0.15 0.29 0.12 0.02 0.00 0.00 175.26 175.54 2kc0 s PHE 96 N -3.94 -0.25 -1.10 5.30 5.36 -0.86 -1.90 117.98 120.60 2kc0 s PHE 96 Ca 0.10 -0.51 -0.07 0.00 -0.96 0.00 0.00 56.93 55.50 2kc0 s PHE 96 Cb 0.08 -0.53 0.29 0.00 -0.34 0.00 0.00 43.02 42.52 2kc0 s PHE 96 CO -0.08 -0.92 1.27 0.94 -1.46 0.00 0.00 175.22 174.97 2kc0 n GLN 97 N 4.96 3.92 -2.87 10.12 0.00 -0.77 -2.37 117.38 130.38 2kc0 n GLN 97 Ca 0.02 -4.50 -0.32 0.00 -0.00 0.00 0.00 57.00 52.19 2kc0 n GLN 97 Cb 0.45 -2.53 -0.06 0.00 0.00 0.00 0.00 30.24 28.11 2kc0 n GLN 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2kc0 s VAL 98 N -1.95 4.58 0.10 1.69 1.01 -0.88 -3.71 120.40 121.24 2kc0 s VAL 98 Ca 0.31 1.12 0.10 0.00 0.00 0.00 0.00 61.98 63.51 2kc0 s VAL 98 Cb -0.03 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 2kc0 s VAL 98 CO -0.00 -0.36 -0.25 -0.47 0.00 0.00 0.00 175.10 174.01 2kc0 s TYR 99 N -2.21 2.36 -0.15 5.22 6.14 -0.28 -0.79 117.35 127.64 2kc0 s TYR 99 Ca 0.57 -0.37 -0.03 0.00 0.64 0.00 0.00 57.07 57.89 2kc0 s TYR 99 Cb -0.10 -1.32 0.05 0.00 0.42 0.00 0.00 41.96 41.01 2kc0 s TYR 99 CO 0.20 0.28 0.03 0.21 0.64 0.00 0.00 175.55 176.91 2kc0 s LYS 100 N -1.78 0.54 0.00 4.97 2.36 0.11 -2.04 119.74 123.90 2kc0 s LYS 100 Ca 0.14 -0.19 0.00 0.00 -2.55 0.00 0.00 55.97 53.36 2kc0 s LYS 100 Cb -0.10 -1.69 0.00 0.00 -1.05 0.00 0.00 37.83 34.99 2kc0 s LYS 100 CO 0.05 -0.53 0.00 1.04 1.55 0.00 0.00 175.35 177.46 2kc0 n GLN 101 N 5.12 3.74 0.03 4.03 6.02 -0.15 -0.94 117.38 135.22 2kc0 n GLN 101 Ca -0.08 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.69 2kc0 n GLN 101 Cb 0.48 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.60 2kc0 n GLN 101 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2kc0 h SER 102 N 0.00 0.48 0.00 1.08 0.87 -1.95 -3.36 113.55 110.67 2kc0 h SER 102 Ca 0.00 -0.91 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2kc0 h SER 102 Cb 0.00 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 2kc0 h SER 102 CO 0.00 1.75 -0.02 1.41 -0.53 0.00 0.00 176.83 179.44 2kc0 n HIS 103 N -3.69 0.00 -4.33 2.24 8.25 -1.26 -5.04 115.22 111.39 2kc0 n HIS 103 Ca -0.27 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 56.93 2kc0 n HIS 103 Cb 1.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 32.02 2kc0 n HIS 103 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2kc0 s SER 104 N -0.70 4.07 -0.17 0.41 1.04 -1.26 -3.66 113.70 113.42 2kc0 s SER 104 Ca 0.00 -0.67 -0.18 0.00 0.48 0.00 0.00 55.95 55.58 2kc0 s SER 104 Cb 0.00 -0.61 0.05 0.00 0.10 0.00 0.00 66.02 65.56 2kc0 s SER 104 CO 0.00 0.09 0.49 0.00 0.98 0.00 0.00 173.24 174.81 2kc0 s ALA 105 N -1.81 -1.23 0.03 5.32 0.00 -0.49 -0.98 121.76 122.60 2kc0 s ALA 105 Ca 0.25 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.52 2kc0 s ALA 105 Cb -0.08 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 2kc0 s ALA 105 CO 0.14 -0.24 -0.02 -0.48 0.00 0.00 0.00 175.76 175.16 2kc0 s LEU 106 N 0.06 2.27 0.03 0.00 0.05 -0.86 -1.49 118.68 118.74 2kc0 s LEU 106 Ca -0.02 -0.60 0.08 0.00 0.05 0.00 0.00 54.13 53.64 2kc0 s LEU 106 Cb -0.03 0.14 -0.02 0.00 -2.05 0.00 0.00 46.19 44.22 2kc0 s LEU 106 CO 0.01 -0.37 -0.23 0.28 -0.55 0.00 0.00 176.35 175.50 2kc0 s THR 107 N -1.98 1.84 0.04 5.48 -1.32 -0.90 -1.13 115.64 117.67 2kc0 s THR 107 Ca -0.11 -1.22 0.06 0.00 -1.21 0.00 0.00 61.69 59.20 2kc0 s THR 107 Cb -0.06 -1.58 -0.02 0.00 -1.51 0.00 0.00 72.50 69.33 2kc0 s THR 107 CO -0.03 0.31 -0.16 0.00 -2.21 0.00 0.00 174.62 172.53 2kc0 s ALA 108 N -0.75 1.35 0.18 11.08 0.00 -1.24 -1.84 121.76 130.54 2kc0 s ALA 108 Ca 0.09 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2kc0 s ALA 108 Cb -0.09 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2kc0 s ALA 108 CO 0.01 0.28 0.34 -0.06 0.00 0.00 0.00 175.76 176.33 2kc0 s PHE 109 N -0.78 3.48 0.02 0.00 0.08 -0.03 -1.85 117.98 118.90 2kc0 s PHE 109 Ca 0.04 0.21 -0.06 0.00 0.12 0.00 0.00 56.93 57.24 2kc0 s PHE 109 Cb -0.08 -1.75 -0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2kc0 s PHE 109 CO 0.01 0.44 0.12 -1.14 -0.10 0.00 0.00 175.22 174.55 2kc0 s GLN 110 N -3.33 0.52 0.00 0.44 0.74 -0.80 -1.98 119.66 115.26 2kc0 s GLN 110 Ca 0.36 -0.55 -0.29 0.00 0.05 0.00 0.00 55.36 54.93 2kc0 s GLN 110 Cb -0.11 0.21 0.07 0.00 1.10 0.00 0.00 33.01 34.28 2kc0 s GLN 110 CO 0.29 -0.13 0.67 -0.08 -0.55 0.00 0.00 175.29 175.49 2kc0 s THR 111 N -1.89 0.00 0.00 -0.34 -1.32 -0.69 -0.43 115.64 110.98 2kc0 s THR 111 Ca -0.11 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.37 2kc0 s THR 111 Cb -0.05 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2kc0 s THR 111 CO -0.01 0.00 0.00 -0.62 -2.21 0.00 0.00 174.62 171.78 2kc0 n GLU 112 N 0.53 0.13 -3.78 7.08 1.02 -1.26 -1.68 120.64 122.67 2kc0 n GLU 112 Ca -0.18 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 56.83 2kc0 n GLU 112 Cb 0.59 -0.80 -0.12 0.00 -0.02 0.00 0.00 31.44 31.09 2kc0 n GLU 112 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2kc0 s GLN 113 N -1.60 0.27 0.21 3.49 0.74 -1.26 -3.52 119.66 117.99 2kc0 s GLN 113 Ca 0.00 0.35 -0.07 0.00 0.05 0.00 0.00 55.36 55.69 2kc0 s GLN 113 Cb 0.00 0.11 -0.02 0.00 1.10 0.00 0.00 33.01 34.20 2kc0 s GLN 113 CO 0.00 -0.05 0.30 0.96 -0.55 0.00 0.00 175.29 175.96 2kc0 s ILE 114 N 0.24 0.01 0.29 -2.34 -4.36 -1.10 -3.98 121.20 109.97 2kc0 s ILE 114 Ca -0.01 -1.66 0.08 0.00 -0.26 0.00 0.00 60.65 58.81 2kc0 s ILE 114 Cb -0.03 -2.27 -0.06 0.00 1.25 0.00 0.00 42.46 41.36 2kc0 s ILE 114 CO -0.01 -0.05 -0.10 0.00 0.24 0.00 0.00 174.94 175.03 2kc0 s GLN 115 N -4.07 1.61 0.00 0.37 1.03 -1.15 -1.49 119.66 115.97 2kc0 s GLN 115 Ca 0.28 -1.80 0.03 0.00 0.04 0.00 0.00 55.36 53.91 2kc0 s GLN 115 Cb 0.03 -1.38 -0.03 0.00 0.03 0.00 0.00 33.01 31.66 2kc0 s GLN 115 CO 0.09 0.12 -0.04 -0.51 -2.54 0.00 0.00 175.29 172.40 2kc0 s ASP 116 N -3.48 4.79 0.19 12.60 1.01 0.60 -4.77 116.67 127.61 2kc0 s ASP 116 Ca 0.30 -0.10 0.25 0.00 0.71 0.00 0.00 52.55 53.71 2kc0 s ASP 116 Cb 0.02 -1.16 0.66 0.00 1.01 0.00 0.00 42.92 43.45 2kc0 s ASP 116 CO 0.13 0.28 1.64 -1.54 0.21 0.00 0.00 175.17 175.89 2kc0 n SER 117 N 1.49 0.81 0.28 0.27 3.41 -1.26 -2.92 113.62 115.70 2kc0 n SER 117 Ca -0.15 0.45 0.14 0.00 -0.26 0.00 0.00 58.87 59.05 2kc0 n SER 117 Cb 0.53 -0.53 0.82 0.00 -0.26 0.00 0.00 64.21 64.77 2kc0 n SER 117 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2kc0 h GLU 118 N 0.00 0.00 -0.00 4.33 4.11 -1.97 -1.25 114.58 119.79 2kc0 h GLU 118 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2kc0 h GLU 118 Cb 0.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.00 2kc0 h GLU 118 CO 0.00 0.07 -0.00 1.58 0.07 0.00 0.00 179.01 180.73 2kc0 n HIS 119 N -3.63 0.00 -2.01 2.06 -0.00 -1.25 -5.03 115.22 105.36 2kc0 n HIS 119 Ca -0.02 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.54 2kc0 n HIS 119 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.14 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2kc0 n SER 120 N 0.16 -4.51 0.00 0.26 2.88 -0.47 -4.57 113.62 107.37 2kc0 n SER 120 Ca 0.02 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2kc0 n SER 120 Cb 0.08 -3.92 0.00 0.00 -0.75 0.00 0.00 64.21 59.62 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 -0.64 0.00 3.37 0.46 0.00 -1.19 -4.98 105.19 102.21 2kc0 n GLY 121 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2kc0 n GLY 121 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 122 N 0.00 2.92 0.15 1.61 0.00 -1.25 -4.96 119.74 118.21 2kc0 s LYS 122 Ca 0.00 -0.75 0.10 0.00 0.00 0.00 0.00 55.97 55.32 2kc0 s LYS 122 Cb 0.00 -2.43 -0.04 0.00 0.00 0.00 0.00 37.83 35.36 2kc0 s LYS 122 CO 0.00 0.37 -0.23 0.00 0.00 0.00 0.00 175.35 175.49 2kc0 s MET 123 N -0.09 1.36 -0.03 1.78 0.23 -1.26 -0.29 119.30 121.01 2kc0 s MET 123 Ca -0.03 -1.38 -0.08 0.00 -1.03 0.00 0.00 55.69 53.16 2kc0 s MET 123 Cb -0.14 -1.68 0.01 0.00 -1.53 0.00 0.00 34.83 31.49 2kc0 s MET 123 CO 0.04 0.38 0.19 0.14 -2.03 0.00 0.00 175.02 173.73 2kc0 s VAL 124 N -1.46 0.05 -0.91 5.16 -7.23 -0.56 -4.99 120.40 110.48 2kc0 s VAL 124 Ca 0.15 -0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2kc0 s VAL 124 Cb -0.09 -0.42 0.13 0.00 0.56 0.00 0.00 36.38 36.57 2kc0 s VAL 124 CO 0.07 -0.24 2.47 0.00 -0.31 0.00 0.00 175.10 177.09 2kc0 n ALA 125 N 1.92 6.58 -2.67 1.32 0.00 -1.26 -2.69 120.51 123.71 2kc0 n ALA 125 Ca -0.19 -3.71 -0.42 0.00 0.00 0.00 0.00 53.44 49.12 2kc0 n ALA 125 Cb 0.57 -2.41 -0.03 0.00 0.00 0.00 0.00 19.45 17.58 2kc0 n ALA 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kc0 s LYS 126 N -1.89 3.47 -0.97 0.00 3.01 -1.23 -4.88 119.74 117.26 2kc0 s LYS 126 Ca 0.55 -1.06 -0.09 0.00 -1.01 0.00 0.00 55.97 54.35 2kc0 s LYS 126 Cb 0.28 -4.92 -0.07 0.00 -1.01 0.00 0.00 37.83 32.11 2kc0 s LYS 126 CO -0.17 -2.06 2.15 -2.13 0.51 0.00 0.00 175.35 173.64 2kc0 n ARG 127 N 8.36 2.14 -2.97 1.68 0.63 -1.26 -4.41 116.66 120.82 2kc0 n ARG 127 Ca 0.22 -1.63 -0.43 0.00 -0.92 0.00 0.00 57.85 55.08 2kc0 n ARG 127 Cb 0.50 -2.60 -0.05 0.00 0.45 0.00 0.00 32.46 30.76 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2kc0 s GLN 128 N 3.60 3.28 -0.06 -0.14 -1.52 -0.68 -4.85 119.66 119.29 2kc0 s GLN 128 Ca 0.45 -0.42 0.05 0.00 -1.95 0.00 0.00 55.36 53.50 2kc0 s GLN 128 Cb 0.12 -4.04 -0.01 0.00 -0.22 0.00 0.00 33.01 28.86 2kc0 s GLN 128 CO -0.01 -1.31 -0.23 -0.59 -0.25 0.00 0.00 175.29 172.90 2kc0 s PHE 129 N 3.38 2.26 -0.05 0.91 -0.71 -1.26 -1.70 117.98 120.81 2kc0 s PHE 129 Ca 0.25 -0.70 -0.21 0.00 -1.04 0.00 0.00 56.93 55.24 2kc0 s PHE 129 Cb -0.14 -1.49 0.04 0.00 -1.21 0.00 0.00 43.02 40.22 2kc0 s PHE 129 CO 0.18 -0.22 0.47 -0.98 -1.34 0.00 0.00 175.22 173.33 2kc0 s ARG 130 N -0.06 0.80 -0.22 1.99 1.70 -0.84 -4.61 118.95 117.71 2kc0 s ARG 130 Ca -0.05 0.10 -0.15 0.00 -0.47 0.00 0.00 55.73 55.16 2kc0 s ARG 130 Cb -0.14 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2kc0 s ARG 130 CO 0.04 -0.22 0.38 -1.50 -1.08 0.00 0.00 175.30 172.92 2kc0 s ILE 131 N -1.04 5.20 0.00 4.99 2.07 -1.26 -0.85 121.20 130.31 2kc0 s ILE 131 Ca -0.11 0.64 0.00 0.00 -1.41 0.00 0.00 60.65 59.78 2kc0 s ILE 131 Cb -0.03 -3.71 0.00 0.00 0.13 0.00 0.00 42.46 38.85 2kc0 s ILE 131 CO 0.06 0.23 0.43 0.61 -1.91 0.00 0.00 174.94 174.36 2kc0 n GLY 132 N 4.12 -2.44 3.13 1.50 0.00 -0.76 -4.99 105.19 105.76 2kc0 n GLY 132 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.19 -0.24 1.61 -1.08 -1.04 -4.98 116.67 110.76 2kc0 s ASP 133 Ca 0.00 0.29 -0.03 0.00 -0.52 0.00 0.00 52.55 52.30 2kc0 s ASP 133 Cb 0.00 0.41 0.08 0.00 -1.46 0.00 0.00 42.92 41.95 2kc0 s ASP 133 CO 0.00 -0.19 0.07 -0.63 0.52 0.00 0.00 175.17 174.95 2kc0 s ILE 134 N -0.36 0.45 0.08 4.11 -1.09 -1.26 -2.12 121.20 121.01 2kc0 s ILE 134 Ca -0.05 -0.77 0.07 0.00 -2.23 0.00 0.00 60.65 57.68 2kc0 s ILE 134 Cb -0.03 -1.14 -0.04 0.00 -1.58 0.00 0.00 42.46 39.67 2kc0 s ILE 134 CO 0.01 -0.42 -0.14 0.00 -1.23 0.00 0.00 174.94 173.16 2kc0 s ALA 135 N 1.87 2.80 0.00 9.38 0.00 -0.55 -5.04 121.76 130.21 2kc0 s ALA 135 Ca 0.04 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.77 2kc0 s ALA 135 Cb -0.17 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2kc0 s ALA 135 CO -0.17 0.61 0.00 0.41 0.00 0.00 0.00 175.76 176.60 2kc0 n GLY 136 N 1.08 3.53 3.70 0.00 0.00 -1.26 -1.39 105.19 110.85 2kc0 n GLY 136 Ca -0.15 -1.78 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 -2.61 4.38 -0.19 1.61 0.41 -1.24 -4.99 118.70 116.07 2kc0 s GLU 137 Ca 0.00 0.85 -0.05 0.00 -0.41 0.00 0.00 54.97 55.36 2kc0 s GLU 137 Cb 0.00 -3.49 0.09 0.00 -1.78 0.00 0.00 34.13 28.96 2kc0 s GLU 137 CO 0.00 -0.05 0.33 -3.38 -0.49 0.00 0.00 175.26 171.67 2kc0 s HIS 138 N 1.19 -0.61 0.14 1.61 -3.43 -1.26 -0.87 115.29 112.07 2kc0 s HIS 138 Ca 0.36 0.97 -0.19 0.00 -0.80 0.00 0.00 55.06 55.40 2kc0 s HIS 138 Cb -0.17 0.02 0.05 0.00 -1.43 0.00 0.00 32.58 31.05 2kc0 s HIS 138 CO 0.16 -0.52 0.49 -0.08 -2.00 0.00 0.00 174.74 172.78 2kc0 s THR 139 N 2.49 0.04 -0.85 -5.38 -1.32 -1.26 -4.60 115.64 104.75 2kc0 s THR 139 Ca 0.04 -0.37 -0.02 0.00 -1.21 0.00 0.00 61.69 60.13 2kc0 s THR 139 Cb -0.13 -1.13 -0.03 0.00 -1.51 0.00 0.00 72.50 69.70 2kc0 s THR 139 CO -0.12 -0.18 0.78 -1.20 -2.21 0.00 0.00 174.62 171.69 2kc0 n SER 140 N -0.29 -7.26 0.10 8.08 7.64 -0.15 -4.92 113.62 116.82 2kc0 n SER 140 Ca -0.16 -0.33 -0.20 0.00 1.01 0.00 0.00 58.87 59.19 2kc0 n SER 140 Cb 0.64 -5.21 -0.15 0.00 -1.01 0.00 0.00 64.21 58.48 2kc0 n SER 140 CO 0.00 0.00 0.00 0.15 -3.01 0.00 0.00 175.04 172.18 2kc0 h PHE 141 N -0.17 0.68 0.00 1.43 3.04 -1.89 -3.27 116.94 116.76 2kc0 h PHE 141 Ca -0.25 -0.49 0.00 0.00 3.98 0.00 0.00 57.97 61.21 2kc0 h PHE 141 Cb 1.13 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.61 2kc0 h PHE 141 CO 0.24 1.46 0.00 -3.47 -2.02 0.00 0.00 178.31 174.52 2kc0 n ASP 142 N -3.58 0.06 -0.14 0.41 2.03 -1.26 -1.79 116.55 112.28 2kc0 n ASP 142 Ca -0.16 -0.88 0.02 0.00 0.52 0.00 0.00 54.79 54.30 2kc0 n ASP 142 Cb 1.06 -0.03 0.01 0.00 -0.72 0.00 0.00 41.12 41.44 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 -0.40 1.38 -3.36 -0.67 4.76 -1.23 -5.04 118.16 113.60 2kc0 n LYS 143 Ca 0.00 -0.56 -0.36 0.00 -2.87 0.00 0.00 58.31 54.52 2kc0 n LYS 143 Cb 0.01 -0.98 -0.06 0.00 -1.84 0.00 0.00 35.03 32.17 2kc0 n LYS 143 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 2kc0 s LEU 144 N -0.93 4.39 0.61 -0.35 2.96 -0.74 -5.10 118.68 119.53 2kc0 s LEU 144 Ca 0.05 1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 54.90 2kc0 s LEU 144 Cb 0.04 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.58 2kc0 s LEU 144 CO 0.09 0.16 1.06 -2.16 -1.32 0.00 0.00 176.35 174.18 2kc0 s PRO 145 N -1.72 3.23 -0.45 0.98 0.04 -1.26 -5.01 135.00 130.82 2kc0 s PRO 145 Ca 0.35 1.16 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2kc0 s PRO 145 Cb -0.16 -2.02 0.48 0.00 0.04 0.00 0.00 34.50 32.84 2kc0 s PRO 145 CO 0.19 -0.88 1.63 0.39 0.04 0.00 0.00 177.00 178.36 2kc0 n GLU 146 N -2.25 2.77 0.00 4.56 1.02 -1.26 -4.81 120.64 120.67 2kc0 n GLU 146 Ca 0.09 -3.53 -0.01 0.00 -0.02 0.00 0.00 57.16 53.68 2kc0 n GLU 146 Cb 0.53 -2.17 -0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 1.76 -0.05 0.00 0.62 0.00 -1.94 -3.36 103.07 100.09 2kc0 h GLY 147 Ca 0.45 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.80 2kc0 h GLY 147 CO 1.02 -0.02 0.00 0.61 0.00 0.00 0.00 176.54 178.15 2kc0 n GLY 148 N 1.60 3.87 3.13 4.60 0.00 -1.26 -4.59 105.19 112.55 2kc0 n GLY 148 Ca -0.01 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 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 3.35 0.69 -0.26 1.61 1.70 -1.26 -1.33 118.95 123.45 2kc0 s ARG 149 Ca 0.00 -1.04 0.02 0.00 -0.47 0.00 0.00 55.73 54.24 2kc0 s ARG 149 Cb 0.00 0.26 0.07 0.00 -0.57 0.00 0.00 34.95 34.71 2kc0 s ARG 149 CO 0.00 -0.17 -0.06 0.00 -1.08 0.00 0.00 175.30 173.99 2kc0 s ALA 150 N -3.66 2.32 0.46 7.88 0.00 -0.28 -4.88 121.76 123.60 2kc0 s ALA 150 Ca 0.04 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.10 2kc0 s ALA 150 Cb 0.05 -1.57 -0.08 0.00 0.00 0.00 0.00 23.12 21.53 2kc0 s ALA 150 CO -0.09 -1.27 1.11 0.99 0.00 0.00 0.00 175.76 176.49 2kc0 s THR 151 N 1.22 3.41 0.04 0.00 2.01 -1.26 -1.34 115.64 119.72 2kc0 s THR 151 Ca -0.05 1.01 -0.02 0.00 0.31 0.00 0.00 61.69 62.94 2kc0 s THR 151 Cb -0.19 -3.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.81 2kc0 s THR 151 CO -0.07 -0.06 0.02 -0.31 -0.69 0.00 0.00 174.62 173.51 2kc0 s TYR 152 N -1.68 0.35 -0.02 4.92 2.02 0.48 -4.85 117.35 118.56 2kc0 s TYR 152 Ca 0.64 -0.75 0.01 0.00 -0.37 0.00 0.00 57.07 56.60 2kc0 s TYR 152 Cb -0.24 -0.25 0.02 0.00 -0.40 0.00 0.00 41.96 41.08 2kc0 s TYR 152 CO 0.29 -0.33 -0.02 0.50 -1.57 0.00 0.00 175.55 174.42 2kc0 s ARG 153 N -2.91 0.41 0.31 -0.62 6.06 -1.26 -1.52 118.95 119.42 2kc0 s ARG 153 Ca -0.02 -0.02 -0.05 0.00 -2.50 0.00 0.00 55.73 53.13 2kc0 s ARG 153 Cb 0.01 -0.50 -0.00 0.00 0.06 0.00 0.00 34.95 34.51 2kc0 s ARG 153 CO -0.06 -0.06 0.46 0.20 -2.50 0.00 0.00 175.30 173.33 2kc0 s GLY 154 N 0.69 1.22 -0.15 8.12 0.00 -0.48 -3.19 107.32 113.53 2kc0 s GLY 154 Ca -0.07 -1.36 -0.06 0.00 0.00 0.00 0.00 44.72 43.23 2kc0 s GLY 154 CO -0.01 -0.92 0.06 -1.59 0.00 0.00 0.00 173.10 170.64 2kc0 s THR 155 N -3.35 4.81 -0.16 0.90 2.01 -0.01 -1.62 115.64 118.23 2kc0 s THR 155 Ca 0.29 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.16 2kc0 s THR 155 Cb -0.00 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 2kc0 s THR 155 CO 0.17 0.51 0.14 0.00 -0.69 0.00 0.00 174.62 174.75 2kc0 s ALA 156 N -0.10 3.77 -0.10 7.40 0.00 -0.59 -2.95 121.76 129.19 2kc0 s ALA 156 Ca 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.35 2kc0 s ALA 156 Cb -0.12 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 20.95 2kc0 s ALA 156 CO 0.01 0.37 0.02 -0.59 0.00 0.00 0.00 175.76 175.57 2kc0 s PHE 157 N -0.28 0.64 0.19 0.00 -0.71 -1.04 -4.17 117.98 112.61 2kc0 s PHE 157 Ca 0.12 -0.28 -0.16 0.00 -1.04 0.00 0.00 56.93 55.56 2kc0 s PHE 157 Cb -0.12 -0.81 0.02 0.00 -1.21 0.00 0.00 43.02 40.91 2kc0 s PHE 157 CO 0.01 -0.39 0.48 0.20 -1.34 0.00 0.00 175.22 174.18 2kc0 s GLY 158 N 1.98 -0.03 0.23 1.99 0.00 -1.26 -0.43 107.32 109.80 2kc0 s GLY 158 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 44.72 44.35 2kc0 s GLY 158 CO -0.06 -0.34 1.62 0.23 0.00 0.00 0.00 173.10 174.55 2kc0 h SER 159 N 2.26 -0.56 -0.51 1.64 0.87 -1.99 -0.99 113.55 114.26 2kc0 h SER 159 Ca -0.30 0.20 -0.37 0.00 -1.23 0.00 0.00 61.79 60.10 2kc0 h SER 159 Cb 1.26 0.41 -0.34 0.00 -0.44 0.00 0.00 62.40 63.28 2kc0 h SER 159 CO 0.39 -0.22 -0.82 -0.67 -0.53 0.00 0.00 176.83 174.99 2kc0 n ASP 160 N -5.43 3.57 0.00 6.23 2.03 -1.26 -4.69 116.55 116.99 2kc0 n ASP 160 Ca 0.10 -3.42 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2kc0 n ASP 160 Cb 0.39 -0.40 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 2kc0 n ASP 160 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kc0 n ASP 161 N -0.71 1.59 0.00 1.67 8.00 -0.44 -4.90 116.55 121.76 2kc0 n ASP 161 Ca 0.31 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.84 2kc0 n ASP 161 Cb 0.90 0.32 0.13 0.00 -0.02 0.00 0.00 41.12 42.45 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kc0 n ALA 162 N -0.48 1.59 0.13 2.24 0.00 -0.83 -1.05 120.51 122.11 2kc0 n ALA 162 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2kc0 n ALA 162 Cb 0.00 -1.08 0.15 0.00 0.00 0.00 0.00 19.45 18.52 2kc0 n ALA 162 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kc0 h GLY 163 N 0.74 0.00 -4.04 0.00 0.00 -1.89 -3.47 103.07 94.41 2kc0 h GLY 163 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2kc0 h GLY 163 CO 0.00 0.00 0.48 -0.32 0.00 0.00 0.00 176.54 176.70 2kc0 s GLY 164 N -4.49 2.87 0.21 4.60 0.00 -0.22 -4.91 107.32 105.39 2kc0 s GLY 164 Ca -0.01 0.84 0.11 0.00 0.00 0.00 0.00 44.72 45.66 2kc0 s GLY 164 CO 0.76 1.64 -0.17 0.54 0.00 0.00 0.00 173.10 175.88 2kc0 s LYS 165 N -0.54 1.77 0.09 2.90 3.01 -1.26 -1.54 119.74 124.17 2kc0 s LYS 165 Ca 0.49 -1.48 0.06 0.00 -1.01 0.00 0.00 55.97 54.02 2kc0 s LYS 165 Cb -0.30 -1.95 -0.03 0.00 -1.01 0.00 0.00 37.83 34.54 2kc0 s LYS 165 CO 0.36 0.39 -0.15 -0.48 0.51 0.00 0.00 175.35 175.98 2kc0 s LEU 166 N -2.95 2.32 -0.06 3.17 -0.00 -0.64 -1.16 118.68 119.37 2kc0 s LEU 166 Ca 0.24 -0.69 0.03 0.00 -0.00 0.00 0.00 54.13 53.72 2kc0 s LEU 166 Cb -0.08 -0.59 -0.02 0.00 -0.00 0.00 0.00 46.19 45.50 2kc0 s LEU 166 CO 0.13 -0.07 -0.15 -0.89 -0.00 0.00 0.00 176.35 175.36 2kc0 s THR 167 N -1.52 2.93 0.02 5.48 2.01 -0.56 -1.38 115.64 122.62 2kc0 s THR 167 Ca 0.03 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2kc0 s THR 167 Cb -0.08 -2.15 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2kc0 s THR 167 CO 0.03 0.58 0.00 -0.47 -0.69 0.00 0.00 174.62 174.07 2kc0 s TYR 168 N -0.51 0.24 0.00 4.92 6.14 -0.57 -0.99 117.35 126.58 2kc0 s TYR 168 Ca 0.07 -0.49 -0.00 0.00 0.64 0.00 0.00 57.07 57.28 2kc0 s TYR 168 Cb -0.12 -0.18 -0.01 0.00 0.42 0.00 0.00 41.96 42.08 2kc0 s TYR 168 CO 0.01 -0.22 -0.00 -0.08 0.64 0.00 0.00 175.55 175.90 2kc0 s THR 169 N -1.60 0.03 -0.28 4.34 -1.32 -0.26 -0.39 115.64 116.17 2kc0 s THR 169 Ca -0.14 -0.28 0.03 0.00 -1.21 0.00 0.00 61.69 60.08 2kc0 s THR 169 Cb -0.09 -0.10 0.07 0.00 -1.51 0.00 0.00 72.50 70.88 2kc0 s THR 169 CO -0.01 -0.16 -0.07 -0.51 -2.21 0.00 0.00 174.62 171.67 2kc0 s ILE 170 N -0.45 2.13 -1.07 5.08 2.07 -0.45 -1.39 121.20 127.12 2kc0 s ILE 170 Ca -0.05 -1.77 -0.20 0.00 -1.41 0.00 0.00 60.65 57.22 2kc0 s ILE 170 Cb -0.03 -2.33 0.08 0.00 0.13 0.00 0.00 42.46 40.31 2kc0 s ILE 170 CO -0.00 -0.18 1.43 -1.81 -1.91 0.00 0.00 174.94 172.47 2kc0 s ASP 171 N 1.08 6.65 0.30 4.50 1.11 -0.11 -1.12 116.67 129.07 2kc0 s ASP 171 Ca -0.04 -1.92 0.05 0.00 0.18 0.00 0.00 52.55 50.81 2kc0 s ASP 171 Cb -0.20 -2.52 0.70 0.00 1.07 0.00 0.00 42.92 41.97 2kc0 s ASP 171 CO -0.06 -1.27 1.79 -0.26 1.18 0.00 0.00 175.17 176.55 2kc0 h PHE 172 N 8.90 1.09 0.00 4.23 -1.00 -1.51 0.26 116.94 128.90 2kc0 h PHE 172 Ca 0.25 0.03 -0.00 0.00 2.81 0.00 0.00 57.97 61.06 2kc0 h PHE 172 Cb 0.97 -0.33 -0.00 0.00 3.61 0.00 0.00 35.95 40.20 2kc0 h PHE 172 CO 1.27 0.28 -0.01 0.00 -1.61 0.00 0.00 178.31 178.24 2kc0 h ALA 173 N 1.62 1.02 -0.01 2.45 0.00 -1.40 -2.70 119.26 120.25 2kc0 h ALA 173 Ca 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.46 2kc0 h ALA 173 Cb 0.81 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2kc0 h ALA 173 CO -0.36 0.01 -0.17 0.00 0.00 0.00 0.00 179.25 178.73 2kc0 n ALA 174 N -2.10 2.75 -3.97 0.00 0.00 0.14 -5.00 120.51 112.34 2kc0 n ALA 174 Ca -0.01 -0.43 -0.31 0.00 0.00 0.00 0.00 53.44 52.69 2kc0 n ALA 174 Cb 0.20 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 19.35 2kc0 n ALA 174 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 175 N -0.23 -5.07 -4.16 0.00 4.01 0.67 -4.98 118.16 108.40 2kc0 n LYS 175 Ca 0.04 0.55 -0.29 0.00 -0.51 0.00 0.00 58.31 58.10 2kc0 n LYS 175 Cb 0.19 -5.40 -0.17 0.00 -0.51 0.00 0.00 35.03 29.14 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 2kc0 s GLN 176 N -6.66 2.13 -0.39 1.97 -1.52 -1.15 -3.33 119.66 110.72 2kc0 s GLN 176 Ca 0.66 -0.51 -0.10 0.00 -1.95 0.00 0.00 55.36 53.46 2kc0 s GLN 176 Cb -0.33 -1.93 0.04 0.00 -0.22 0.00 0.00 33.01 30.57 2kc0 s GLN 176 CO 0.85 -0.18 0.22 0.20 -0.25 0.00 0.00 175.29 176.13 2kc0 s GLY 177 N 1.34 1.94 0.38 3.09 0.00 0.72 -0.94 107.32 113.85 2kc0 s GLY 177 Ca 0.01 -1.86 0.05 0.00 0.00 0.00 0.00 44.72 42.92 2kc0 s GLY 177 CO -0.07 0.88 0.03 0.21 0.00 0.00 0.00 173.10 174.16 2kc0 s ASN 178 N 1.73 3.25 0.00 1.64 3.04 -0.48 -1.61 114.94 122.50 2kc0 s ASN 178 Ca 0.02 -1.41 0.00 0.00 0.04 0.00 0.00 52.86 51.51 2kc0 s ASN 178 Cb -0.20 -0.16 0.00 0.00 -1.54 0.00 0.00 41.25 39.35 2kc0 s ASN 178 CO 0.05 -0.57 0.00 0.61 -3.04 0.00 0.00 177.10 174.15 2kc0 n GLY 179 N -0.88 1.27 3.56 1.21 0.00 -1.26 -1.10 105.19 107.99 2kc0 n GLY 179 Ca -0.05 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.21 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 0.25 0.53 0.18 1.61 -2.85 -0.16 -3.63 119.74 115.67 2kc0 s LYS 180 Ca 0.00 -0.19 -0.15 0.00 -1.00 0.00 0.00 55.97 54.62 2kc0 s LYS 180 Cb 0.00 0.24 -0.07 0.00 -2.06 0.00 0.00 37.83 35.94 2kc0 s LYS 180 CO 0.00 -0.23 0.60 0.42 0.10 0.00 0.00 175.35 176.24 2kc0 s ILE 181 N -2.72 4.78 -0.29 3.79 -1.09 -1.07 -1.49 121.20 123.10 2kc0 s ILE 181 Ca 0.07 0.93 -0.13 0.00 -2.23 0.00 0.00 60.65 59.30 2kc0 s ILE 181 Cb -0.01 -3.75 0.12 0.00 -1.58 0.00 0.00 42.46 37.24 2kc0 s ILE 181 CO -0.07 0.19 0.73 -1.61 -1.23 0.00 0.00 174.94 172.96 2kc0 s GLU 182 N -2.07 0.57 0.00 2.79 2.02 -0.30 -4.30 118.70 117.41 2kc0 s GLU 182 Ca 0.41 1.24 0.00 0.00 0.02 0.00 0.00 54.97 56.64 2kc0 s GLU 182 Cb -0.15 0.55 0.00 0.00 0.10 0.00 0.00 34.13 34.63 2kc0 s GLU 182 CO 0.20 -0.16 0.00 1.58 0.02 0.00 0.00 175.26 176.89 2kc0 n HIS 183 N 4.92 0.00 -1.31 1.61 -0.00 -1.26 -3.99 115.22 115.19 2kc0 n HIS 183 Ca -0.15 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.73 2kc0 n HIS 183 Cb 0.53 0.00 0.09 0.00 -0.12 0.00 0.00 29.99 30.49 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 0.00 2.93 0.57 0.27 2.01 -1.26 -4.95 118.68 118.24 2kc0 s LEU 184 Ca 0.00 1.73 0.29 0.00 0.01 0.00 0.00 54.13 56.16 2kc0 s LEU 184 Cb 0.00 -4.41 1.47 0.00 0.01 0.00 0.00 46.19 43.26 2kc0 s LEU 184 CO 0.00 -2.02 1.91 0.07 1.01 0.00 0.00 176.35 177.32 2kc0 h LYS 185 N -1.12 0.00 -3.68 1.70 2.10 -2.01 -3.41 116.57 110.15 2kc0 h LYS 185 Ca -0.44 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.06 2kc0 h LYS 185 Cb 1.24 0.00 -0.20 0.00 -0.90 0.00 0.00 32.23 32.37 2kc0 h LYS 185 CO 0.53 0.00 -0.54 -1.54 -2.00 0.00 0.00 179.45 175.90 2kc0 s SER 186 N -5.48 0.11 0.48 7.07 1.04 -1.26 -5.06 113.70 110.60 2kc0 s SER 186 Ca -0.05 -0.35 0.24 0.00 0.48 0.00 0.00 55.95 56.27 2kc0 s SER 186 Cb 0.18 0.19 1.22 0.00 0.10 0.00 0.00 66.02 67.71 2kc0 s SER 186 CO 0.64 -0.39 1.99 1.55 0.98 0.00 0.00 173.24 178.01 2kc0 h PRO 187 N 4.21 0.00 0.00 4.02 0.13 -1.99 -2.68 132.00 135.69 2kc0 h PRO 187 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kc0 h PRO 187 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kc0 h PRO 187 CO 0.43 0.18 0.00 -1.91 -0.23 0.00 0.00 178.00 176.47 2kc0 n GLU 188 N -3.71 0.09 0.00 0.86 2.13 -1.26 -1.50 120.64 117.24 2kc0 n GLU 188 Ca -0.02 0.23 0.08 0.00 0.66 0.00 0.00 57.16 58.11 2kc0 n GLU 188 Cb 0.29 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.53 2kc0 n GLU 188 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2kc0 n LEU 189 N -1.29 1.89 -4.90 4.31 4.77 -1.01 -4.99 117.00 115.78 2kc0 n LEU 189 Ca 0.03 -0.84 -0.28 0.00 -0.03 0.00 0.00 56.01 54.89 2kc0 n LEU 189 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2kc0 n LEU 189 CO 0.05 0.35 0.52 0.20 -1.33 0.00 0.00 177.39 177.18 2kc0 s ASN 190 N -1.76 6.15 0.16 -1.43 0.02 -0.56 -4.94 114.94 112.58 2kc0 s ASN 190 Ca 0.16 1.02 0.05 0.00 -1.02 0.00 0.00 52.86 53.06 2kc0 s ASN 190 Cb 0.13 -2.22 -0.04 0.00 0.02 0.00 0.00 41.25 39.14 2kc0 s ASN 190 CO 0.35 -0.72 -0.09 0.68 0.02 0.00 0.00 177.10 177.33 2kc0 s VAL 191 N -2.89 1.18 0.54 1.60 -7.23 -1.26 -4.84 120.40 107.50 2kc0 s VAL 191 Ca 0.50 -2.07 -0.16 0.00 -1.81 0.00 0.00 61.98 58.45 2kc0 s VAL 191 Cb -0.10 -1.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.87 2kc0 s VAL 191 CO 0.47 -0.70 1.01 -1.81 -0.31 0.00 0.00 175.10 173.76 2kc0 s ASP 192 N -3.19 6.37 -0.09 4.85 1.01 -1.26 -2.61 116.67 121.75 2kc0 s ASP 192 Ca 0.18 1.63 0.01 0.00 0.71 0.00 0.00 52.55 55.08 2kc0 s ASP 192 Cb 0.03 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.42 2kc0 s ASP 192 CO 0.02 -0.76 -0.12 -0.22 0.21 0.00 0.00 175.17 174.30 2kc0 s LEU 193 N -4.25 2.86 -0.33 1.23 2.96 -1.24 -3.56 118.68 116.34 2kc0 s LEU 193 Ca 0.60 -0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.02 2kc0 s LEU 193 Cb -0.12 -1.62 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2kc0 s LEU 193 CO 0.34 0.27 1.20 0.00 -1.32 0.00 0.00 176.35 176.84 2kc0 s ALA 194 N -0.28 3.38 0.10 5.97 0.00 -0.79 -4.44 121.76 125.69 2kc0 s ALA 194 Ca 0.03 -0.04 -0.35 0.00 0.00 0.00 0.00 51.96 51.60 2kc0 s ALA 194 Cb -0.13 -3.76 -0.14 0.00 0.00 0.00 0.00 23.12 19.09 2kc0 s ALA 194 CO 0.03 -1.75 1.57 0.00 0.00 0.00 0.00 175.76 175.60 2kc0 n ALA 195 N 7.41 0.71 -2.98 0.00 0.00 -1.26 -4.10 120.51 120.29 2kc0 n ALA 195 Ca 0.13 0.44 -0.12 0.00 0.00 0.00 0.00 53.44 53.89 2kc0 n ALA 195 Cb 0.47 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.49 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 1.30 -0.23 0.76 0.00 0.00 -0.63 -4.95 121.76 118.01 2kc0 s ALA 196 Ca 0.83 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.98 2kc0 s ALA 196 Cb -0.76 -0.13 0.15 0.00 0.00 0.00 0.00 23.12 22.38 2kc0 s ALA 196 CO 0.43 -0.06 1.04 0.16 0.00 0.00 0.00 175.76 177.33 2kc0 s ASP 197 N -0.11 4.11 0.20 0.00 -4.77 -1.26 -0.20 116.67 114.64 2kc0 s ASP 197 Ca -0.02 -0.44 -0.31 0.00 -3.30 0.00 0.00 52.55 48.49 2kc0 s ASP 197 Cb -0.02 0.17 -0.09 0.00 -1.09 0.00 0.00 42.92 41.89 2kc0 s ASP 197 CO 0.00 -2.04 1.43 -0.63 0.70 0.00 0.00 175.17 174.63 2kc0 s ILE 198 N -3.23 2.88 0.20 2.11 -1.09 -1.21 -3.86 121.20 116.99 2kc0 s ILE 198 Ca 0.68 0.70 -0.04 0.00 -2.23 0.00 0.00 60.65 59.76 2kc0 s ILE 198 Cb -0.04 -3.45 -0.05 0.00 -1.58 0.00 0.00 42.46 37.34 2kc0 s ILE 198 CO 0.46 0.09 0.42 -0.54 -1.23 0.00 0.00 174.94 174.14 2kc0 s LYS 199 N 0.23 3.59 0.00 2.79 1.02 -0.76 -5.00 119.74 121.62 2kc0 s LYS 199 Ca 0.62 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2kc0 s LYS 199 Cb -0.40 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2kc0 s LYS 199 CO 0.38 0.39 1.29 -0.35 -0.92 0.00 0.00 175.35 176.14 2kc0 n PRO 200 N -0.38 0.87 -3.81 -1.68 -0.04 -1.26 -4.10 135.00 124.59 2kc0 n PRO 200 Ca -0.03 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.11 2kc0 n PRO 200 Cb 0.53 -1.07 -0.04 0.00 -0.04 0.00 0.00 33.50 32.88 2kc0 n PRO 200 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2kc0 s ASP 201 N 1.49 6.43 0.00 3.54 1.01 -1.26 -5.03 116.67 122.85 2kc0 s ASP 201 Ca 0.00 0.43 0.00 0.00 0.71 0.00 0.00 52.55 53.69 2kc0 s ASP 201 Cb 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.90 2kc0 s ASP 201 CO 0.00 0.15 0.00 0.61 0.21 0.00 0.00 175.17 176.14 2kc0 n GLY 202 N 0.41 2.45 0.16 0.21 0.00 -1.26 -3.91 105.19 103.25 2kc0 n GLY 202 Ca -0.06 -1.27 0.12 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.97 -3.34 116.57 114.98 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 -2.72 -0.08 -0.29 0.07 1.85 -1.26 -5.12 116.66 109.11 2kc0 n ARG 204 Ca 0.04 -0.20 0.00 0.00 -1.00 0.00 0.00 57.85 56.70 2kc0 n ARG 204 Cb 0.49 -0.60 0.00 0.00 -1.05 0.00 0.00 32.46 31.30 2kc0 n ARG 204 CO 0.00 0.00 0.00 -2.39 -0.01 0.00 0.00 177.63 175.23 2kc0 n HIS 205 N -0.02 -0.06 -4.04 2.89 1.44 -1.25 -0.98 115.22 113.20 2kc0 n HIS 205 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2kc0 n HIS 205 Cb 0.24 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.34 2kc0 n HIS 205 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kc0 n ALA 206 N -3.00 0.04 -3.27 1.59 0.00 -1.26 -4.46 120.51 110.16 2kc0 n ALA 206 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2kc0 n ALA 206 Cb 0.00 0.11 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.62 0.05 -0.17 0.00 1.01 -1.25 -4.80 120.40 113.61 2kc0 s VAL 207 Ca 0.02 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 2kc0 s VAL 207 Cb 0.00 -0.70 -0.02 0.00 0.00 0.00 0.00 36.38 35.66 2kc0 s VAL 207 CO 0.01 -0.22 -0.04 -0.63 0.00 0.00 0.00 175.10 174.22 2kc0 s ILE 208 N -1.39 3.78 -0.20 2.22 -1.09 -0.88 -1.82 121.20 121.81 2kc0 s ILE 208 Ca -0.13 -0.39 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 2kc0 s ILE 208 Cb -0.04 -2.67 0.06 0.00 -1.58 0.00 0.00 42.46 38.23 2kc0 s ILE 208 CO 0.05 0.47 0.02 -0.55 -1.23 0.00 0.00 174.94 173.70 2kc0 s SER 209 N 0.63 3.12 0.00 3.58 0.15 -1.25 -2.57 113.70 117.35 2kc0 s SER 209 Ca -0.02 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2kc0 s SER 209 Cb -0.14 -0.71 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 2kc0 s SER 209 CO 0.02 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2kc0 n GLY 210 N 4.97 4.39 3.37 9.45 0.00 -0.55 -4.74 105.19 122.08 2kc0 n GLY 210 Ca -0.09 -1.65 -0.23 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.49 2.92 -0.09 1.61 0.01 -1.26 -0.70 113.70 115.70 2kc0 s SER 211 Ca 0.00 -0.91 0.00 0.00 1.31 0.00 0.00 55.95 56.36 2kc0 s SER 211 Cb 0.00 -0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2kc0 s SER 211 CO 0.00 -0.01 -0.08 -0.69 0.41 0.00 0.00 173.24 172.87 2kc0 s VAL 212 N -2.16 0.98 -0.24 3.43 1.01 -0.53 -1.89 120.40 121.00 2kc0 s VAL 212 Ca 0.19 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 61.77 2kc0 s VAL 212 Cb -0.05 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.30 2kc0 s VAL 212 CO 0.08 0.35 0.17 -0.22 0.00 0.00 0.00 175.10 175.48 2kc0 s LEU 213 N 1.43 4.11 -0.37 3.92 1.98 -1.23 -1.83 118.68 126.69 2kc0 s LEU 213 Ca -0.01 0.11 -0.01 0.00 -2.89 0.00 0.00 54.13 51.34 2kc0 s LEU 213 Cb -0.13 -2.12 0.09 0.00 0.66 0.00 0.00 46.19 44.68 2kc0 s LEU 213 CO -0.05 0.05 0.12 -0.47 -1.89 0.00 0.00 176.35 174.11 2kc0 s TYR 214 N 1.14 3.55 -1.54 5.38 5.04 -0.46 -4.59 117.35 125.88 2kc0 s TYR 214 Ca 0.08 -2.43 -0.13 0.00 -2.44 0.00 0.00 57.07 52.15 2kc0 s TYR 214 Cb -0.14 -2.88 0.09 0.00 0.35 0.00 0.00 41.96 39.38 2kc0 s TYR 214 CO 0.05 -0.93 0.91 -1.71 -1.34 0.00 0.00 175.55 172.53 2kc0 n ASN 215 N 4.52 -4.08 -3.21 4.32 5.15 -1.26 -1.93 115.26 118.77 2kc0 n ASN 215 Ca -0.04 -0.83 -0.21 0.00 -0.60 0.00 0.00 54.58 52.90 2kc0 n ASN 215 Cb 0.42 -3.68 0.07 0.00 -0.53 0.00 0.00 39.78 36.06 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 -4.59 -6.96 -0.33 1.20 1.13 -1.26 -4.96 117.38 101.60 2kc0 n GLN 216 Ca 0.00 0.73 0.00 0.00 -1.94 0.00 0.00 57.00 55.80 2kc0 n GLN 216 Cb 0.54 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 25.41 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 -4.68 0.00 -1.14 -1.58 0.00 -0.81 -5.18 120.51 107.11 2kc0 n ALA 217 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.51 2kc0 n ALA 217 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2kc0 n ALA 217 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2kc0 n GLU 218 N 0.00 -0.91 -3.29 0.00 4.71 -1.26 -1.35 120.64 118.54 2kc0 n GLU 218 Ca 0.00 0.60 -0.06 0.00 -0.01 0.00 0.00 57.16 57.69 2kc0 n GLU 218 Cb 0.00 -1.11 -0.06 0.00 -1.01 0.00 0.00 31.44 29.26 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2kc0 s LYS 219 N -0.69 0.42 0.46 3.49 1.02 -1.26 -4.73 119.74 118.44 2kc0 s LYS 219 Ca 0.00 0.58 0.02 0.00 0.02 0.00 0.00 55.97 56.59 2kc0 s LYS 219 Cb 0.00 -0.19 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 2kc0 s LYS 219 CO 0.00 -0.71 0.06 0.41 -0.92 0.00 0.00 175.35 174.19 2kc0 n GLY 220 N 5.38 3.45 3.05 -3.33 0.00 -0.76 -3.60 105.19 109.39 2kc0 n GLY 220 Ca -0.02 -2.27 -0.15 0.00 0.00 0.00 0.00 46.02 43.59 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 -3.60 0.93 0.09 1.61 0.01 0.79 -1.45 113.70 112.07 2kc0 s SER 221 Ca 0.08 -0.45 0.08 0.00 1.31 0.00 0.00 55.95 56.97 2kc0 s SER 221 Cb 0.00 -0.01 -0.03 0.00 0.21 0.00 0.00 66.02 66.20 2kc0 s SER 221 CO 0.06 -0.12 -0.20 -0.72 0.41 0.00 0.00 173.24 172.67 2kc0 s TYR 222 N -1.05 1.69 -0.10 2.43 -0.85 0.12 -0.98 117.35 118.62 2kc0 s TYR 222 Ca -0.06 -0.42 -0.06 0.00 -0.52 0.00 0.00 57.07 56.01 2kc0 s TYR 222 Cb -0.08 -0.94 0.04 0.00 0.38 0.00 0.00 41.96 41.36 2kc0 s TYR 222 CO 0.00 0.17 0.24 -1.12 -1.52 0.00 0.00 175.55 173.33 2kc0 s SER 223 N -1.81 -0.26 0.21 -0.18 0.01 -0.09 -1.48 113.70 110.11 2kc0 s SER 223 Ca 0.05 0.51 -0.11 0.00 1.31 0.00 0.00 55.95 57.71 2kc0 s SER 223 Cb -0.10 0.44 -0.01 0.00 0.21 0.00 0.00 66.02 66.56 2kc0 s SER 223 CO 0.04 -0.13 0.40 -1.48 0.41 0.00 0.00 173.24 172.47 2kc0 s LEU 224 N 0.80 0.55 0.15 2.44 0.05 -1.06 -1.06 118.68 120.54 2kc0 s LEU 224 Ca -0.06 -0.91 0.02 0.00 0.05 0.00 0.00 54.13 53.23 2kc0 s LEU 224 Cb -0.07 1.51 -0.04 0.00 -2.05 0.00 0.00 46.19 45.54 2kc0 s LEU 224 CO -0.05 -1.03 -0.01 -0.83 -0.55 0.00 0.00 176.35 173.88 2kc0 s GLY 225 N -3.00 1.09 -0.07 -3.48 0.00 -0.94 -2.08 107.32 98.83 2kc0 s GLY 225 Ca 0.21 -1.52 -0.22 0.00 0.00 0.00 0.00 44.72 43.19 2kc0 s GLY 225 CO 0.06 -1.50 0.65 -0.42 0.00 0.00 0.00 173.10 171.89 2kc0 s ILE 226 N -3.68 5.06 0.16 0.90 -1.09 -1.26 -3.26 121.20 118.03 2kc0 s ILE 226 Ca 0.21 1.34 0.10 0.00 -2.23 0.00 0.00 60.65 60.08 2kc0 s ILE 226 Cb 0.06 -3.99 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 2kc0 s ILE 226 CO 0.02 0.28 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.41 2kc0 s PHE 227 N 0.70 2.16 0.07 3.97 0.40 -0.59 -4.65 117.98 120.04 2kc0 s PHE 227 Ca 0.35 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2kc0 s PHE 227 Cb -0.17 -1.10 0.00 0.00 0.51 0.00 0.00 43.02 42.25 2kc0 s PHE 227 CO 0.17 0.40 0.00 0.41 0.70 0.00 0.00 175.22 176.90 2kc0 n GLY 228 N 0.50 -2.15 0.26 4.36 0.00 -0.05 -1.98 105.19 106.12 2kc0 n GLY 228 Ca -0.15 -1.44 0.09 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.18 0.00 -6.20 -0.02 0.00 -1.98 -3.35 103.07 91.34 2kc0 h GLY 229 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.95 2kc0 h GLY 229 CO 0.01 0.00 -0.69 -1.59 0.00 0.00 0.00 176.54 174.26 2kc0 s LYS 230 N -4.88 0.73 -1.35 4.80 -2.85 -1.26 -4.98 119.74 109.94 2kc0 s LYS 230 Ca -0.05 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.89 2kc0 s LYS 230 Cb 0.16 -0.71 0.00 0.00 -2.06 0.00 0.00 37.83 35.22 2kc0 s LYS 230 CO 0.65 -1.24 0.00 0.00 0.10 0.00 0.00 175.35 174.86 2kc0 n ALA 231 N 3.92 -0.66 0.08 0.59 0.00 -1.26 -4.88 120.51 118.30 2kc0 n ALA 231 Ca 0.15 0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 2kc0 n ALA 231 Cb 0.47 -1.72 -0.06 0.00 0.00 0.00 0.00 19.45 18.14 2kc0 n ALA 231 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2kc0 h GLN 232 N 0.00 -0.24 -3.27 0.00 5.75 -1.63 -3.41 115.11 112.30 2kc0 h GLN 232 Ca -0.36 0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.16 2kc0 h GLN 232 Cb 1.23 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.76 2kc0 h GLN 232 CO 0.43 -0.16 0.07 -1.83 -2.65 0.00 0.00 178.83 174.69 2kc0 s GLU 233 N -6.14 1.56 -0.01 1.69 -1.05 -1.17 -1.54 118.70 112.05 2kc0 s GLU 233 Ca -0.14 -0.99 0.01 0.00 -0.15 0.00 0.00 54.97 53.70 2kc0 s GLU 233 Cb 0.07 0.54 -0.00 0.00 -0.44 0.00 0.00 34.13 34.31 2kc0 s GLU 233 CO 0.66 -0.68 -0.04 0.14 0.95 0.00 0.00 175.26 176.28 2kc0 s VAL 234 N -3.92 0.37 0.03 1.83 -7.23 -0.17 -1.54 120.40 109.77 2kc0 s VAL 234 Ca 0.13 -0.18 -0.01 0.00 -1.81 0.00 0.00 61.98 60.11 2kc0 s VAL 234 Cb -0.03 -0.32 -0.02 0.00 0.56 0.00 0.00 36.38 36.57 2kc0 s VAL 234 CO 0.03 0.11 -0.02 0.00 -0.31 0.00 0.00 175.10 174.92 2kc0 s ALA 235 N 0.00 0.18 0.00 1.32 0.00 -1.20 -1.83 121.76 120.23 2kc0 s ALA 235 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.25 2kc0 s ALA 235 Cb -0.03 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2kc0 s ALA 235 CO -0.00 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2kc0 n GLY 236 N 1.19 -0.67 3.20 0.00 0.00 -1.22 -2.23 105.19 105.47 2kc0 n GLY 236 Ca -0.21 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.07 0.06 1.61 1.04 -0.22 -1.98 113.70 110.14 2kc0 s SER 237 Ca 0.00 -0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2kc0 s SER 237 Cb 0.00 0.29 -0.04 0.00 0.10 0.00 0.00 66.02 66.38 2kc0 s SER 237 CO 0.00 -0.50 -0.05 0.00 0.98 0.00 0.00 173.24 173.67 2kc0 s ALA 238 N -1.97 0.63 0.01 5.32 0.00 0.34 -0.92 121.76 125.18 2kc0 s ALA 238 Ca -0.09 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 2kc0 s ALA 238 Cb -0.03 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 2kc0 s ALA 238 CO -0.00 -0.26 0.00 -1.83 0.00 0.00 0.00 175.76 173.67 2kc0 s GLU 239 N -3.34 0.23 0.01 0.00 4.04 -0.15 -0.94 118.70 118.54 2kc0 s GLU 239 Ca 0.04 -0.37 0.07 0.00 0.04 0.00 0.00 54.97 54.74 2kc0 s GLU 239 Cb 0.03 0.08 -0.02 0.00 0.02 0.00 0.00 34.13 34.24 2kc0 s GLU 239 CO -0.06 -0.04 -0.21 0.54 -1.84 0.00 0.00 175.26 173.65 2kc0 s VAL 240 N -0.95 1.66 -0.32 1.83 0.11 -0.48 -0.15 120.40 122.09 2kc0 s VAL 240 Ca -0.10 -1.00 -0.09 0.00 -2.93 0.00 0.00 61.98 57.85 2kc0 s VAL 240 Cb -0.06 -1.40 0.01 0.00 -1.53 0.00 0.00 36.38 33.39 2kc0 s VAL 240 CO -0.00 0.37 0.15 -1.59 -3.33 0.00 0.00 175.10 170.70 2kc0 s LYS 241 N -0.74 3.15 0.46 1.54 -2.85 -1.24 -0.60 119.74 119.48 2kc0 s LYS 241 Ca 0.08 -0.84 0.05 0.00 -1.00 0.00 0.00 55.97 54.26 2kc0 s LYS 241 Cb -0.08 -3.56 -0.04 0.00 -2.06 0.00 0.00 37.83 32.09 2kc0 s LYS 241 CO 0.00 -0.49 0.09 -0.08 0.10 0.00 0.00 175.35 174.97 2kc0 s THR 242 N 1.57 1.70 0.57 3.79 -1.32 0.79 -4.39 115.64 118.34 2kc0 s THR 242 Ca 0.03 -1.88 0.27 0.00 -1.21 0.00 0.00 61.69 58.90 2kc0 s THR 242 Cb -0.18 -2.58 0.37 0.00 -1.51 0.00 0.00 72.50 68.60 2kc0 s THR 242 CO 0.05 0.00 2.05 -0.37 -2.21 0.00 0.00 174.62 174.14 2kc0 h VAL 243 N 1.42 0.56 0.00 5.08 -1.51 -2.01 -0.36 116.25 119.43 2kc0 h VAL 243 Ca -0.43 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2kc0 h VAL 243 Cb 1.28 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2kc0 h VAL 243 CO 0.74 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.67 2kc0 n ASN 244 N -3.98 0.22 0.00 4.19 3.02 -1.26 -5.03 115.26 112.42 2kc0 n ASN 244 Ca 0.04 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.79 2kc0 n ASN 244 Cb 0.43 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.32 0.38 3.86 7.41 0.00 -0.14 -4.89 105.19 112.12 2kc0 n GLY 245 Ca 0.00 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.58 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 4.78 -0.22 -0.61 1.10 -1.26 -0.15 121.20 124.85 2kc0 s ILE 246 Ca 0.00 0.75 -0.03 0.00 -0.51 0.00 0.00 60.65 60.86 2kc0 s ILE 246 Cb 0.00 -3.61 0.07 0.00 0.15 0.00 0.00 42.46 39.06 2kc0 s ILE 246 CO 0.00 -0.15 0.05 -0.60 -2.11 0.00 0.00 174.94 172.14 2kc0 s ARG 247 N -2.94 0.59 0.39 3.50 6.06 0.24 -4.93 118.95 121.85 2kc0 s ARG 247 Ca 0.51 -0.50 -0.22 0.00 -2.50 0.00 0.00 55.73 53.03 2kc0 s ARG 247 Cb -0.11 -2.01 -0.10 0.00 0.06 0.00 0.00 34.95 32.79 2kc0 s ARG 247 CO 0.19 -0.72 0.92 -1.01 -2.50 0.00 0.00 175.30 172.18 2kc0 s HIS 248 N 1.86 3.42 -0.01 5.12 3.76 -1.26 -1.38 115.29 126.80 2kc0 s HIS 248 Ca 0.01 1.60 0.01 0.00 -0.15 0.00 0.00 55.06 56.54 2kc0 s HIS 248 Cb -0.17 -2.83 -0.00 0.00 1.11 0.00 0.00 32.58 30.69 2kc0 s HIS 248 CO -0.13 -0.00 -0.05 0.42 -0.85 0.00 0.00 174.74 174.14 2kc0 s ILE 249 N -2.01 0.39 0.11 0.60 1.01 -0.11 -4.38 121.20 116.81 2kc0 s ILE 249 Ca 0.58 -0.20 -0.14 0.00 0.00 0.00 0.00 60.65 60.89 2kc0 s ILE 249 Cb -0.12 -0.34 -0.07 0.00 0.01 0.00 0.00 42.46 41.95 2kc0 s ILE 249 CO 0.16 0.12 0.51 -0.83 0.00 0.00 0.00 174.94 174.90 2kc0 s GLY 250 N -0.03 2.47 -0.13 6.18 0.00 0.43 -0.51 107.32 115.73 2kc0 s GLY 250 Ca 0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 44.72 44.51 2kc0 s GLY 250 CO -0.00 0.14 0.09 1.08 0.00 0.00 0.00 173.10 174.40 2kc0 s LEU 251 N -1.76 4.05 -0.23 0.66 2.01 -0.84 -2.51 118.68 120.06 2kc0 s LEU 251 Ca 0.35 0.28 -0.06 0.00 0.01 0.00 0.00 54.13 54.71 2kc0 s LEU 251 Cb -0.16 -1.99 0.12 0.00 0.01 0.00 0.00 46.19 44.17 2kc0 s LEU 251 CO 0.18 0.33 0.45 0.00 1.01 0.00 0.00 176.35 178.32 2kc0 s ALA 252 N -0.56 -1.34 0.09 4.21 0.00 -1.15 -3.39 121.76 119.61 2kc0 s ALA 252 Ca 0.11 1.47 -0.07 0.00 0.00 0.00 0.00 51.96 53.47 2kc0 s ALA 252 Cb -0.12 -1.55 -0.01 0.00 0.00 0.00 0.00 23.12 21.44 2kc0 s ALA 252 CO 0.02 -0.97 0.15 0.00 0.00 0.00 0.00 175.76 174.97 2kc0 s ALA 253 N 2.65 -0.08 0.01 0.00 0.00 -0.76 -0.83 121.76 122.75 2kc0 s ALA 253 Ca 0.04 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.23 2kc0 s ALA 253 Cb -0.13 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.45 2kc0 s ALA 253 CO -0.15 -0.49 0.03 0.21 0.00 0.00 0.00 175.76 175.36 2kc0 s LYS 254 N -3.88 0.31 0.00 0.00 2.20 -1.19 -0.99 119.74 116.19 2kc0 s LYS 254 Ca 0.06 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.28 2kc0 s LYS 254 Cb 0.05 0.12 0.19 0.00 -1.51 0.00 0.00 37.83 36.68 2kc0 s LYS 254 CO -0.10 -0.06 0.67 0.94 -0.36 0.00 0.00 175.35 176.44