#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 0.29 0.27 0.00 0.00 -1.26 -3.92 105.19 100.58 2kc0 n GLY 15 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.31 0.97 0.22 0.99 4.07 -1.96 -2.84 115.31 117.07 2kc0 h LEU 16 Ca 0.00 -0.40 0.00 0.00 0.08 0.00 0.00 57.88 57.56 2kc0 h LEU 16 Cb 0.16 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.61 2kc0 h LEU 16 CO 0.00 1.18 -0.23 0.00 -1.08 0.00 0.00 178.44 178.32 2kc0 h ALA 17 N 0.87 -0.46 -0.04 1.53 0.00 -1.74 -2.69 119.26 116.72 2kc0 h ALA 17 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2kc0 h ALA 17 Cb 0.87 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2kc0 h ALA 17 CO 0.08 -0.79 -0.03 0.22 0.00 0.00 0.00 179.25 178.73 2kc0 h ASP 18 N -0.49 -0.10 0.43 0.00 3.58 -1.84 -1.69 116.42 116.32 2kc0 h ASP 18 Ca -0.00 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.47 2kc0 h ASP 18 Cb 0.45 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2kc0 h ASP 18 CO -0.05 -0.05 0.00 0.00 -2.88 0.00 0.00 179.24 176.26 2kc0 n ALA 19 N -2.21 1.53 -0.05 -0.78 0.00 -1.08 -0.92 120.51 117.01 2kc0 n ALA 19 Ca -0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kc0 n ALA 19 Cb 0.08 -1.22 -0.15 0.00 0.00 0.00 0.00 19.45 18.16 2kc0 n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kc0 n LEU 20 N -1.62 0.11 0.07 0.00 7.99 -0.92 -4.49 117.00 118.13 2kc0 n LEU 20 Ca 0.03 0.05 -0.04 0.00 -0.01 0.00 0.00 56.01 56.04 2kc0 n LEU 20 Cb 0.15 0.24 -0.08 0.00 -0.11 0.00 0.00 43.42 43.61 2kc0 n LEU 20 CO 0.12 0.24 0.07 0.71 -1.51 0.00 0.00 177.39 177.02 2kc0 h THR 21 N 0.00 1.18 -3.27 -5.08 1.35 -0.41 -3.45 112.91 103.22 2kc0 h THR 21 Ca -0.27 -2.78 -0.07 0.00 -0.55 0.00 0.00 66.41 62.73 2kc0 h THR 21 Cb 1.64 2.55 -0.15 0.00 -1.73 0.00 0.00 68.15 70.46 2kc0 h THR 21 CO 0.02 0.67 -0.14 0.00 -0.25 0.00 0.00 175.52 175.82 2kc0 s ALA 22 N -2.79 -0.85 0.91 6.62 0.00 -0.09 -5.10 121.76 120.45 2kc0 s ALA 22 Ca 0.00 0.05 -0.12 0.00 0.00 0.00 0.00 51.96 51.90 2kc0 s ALA 22 Cb 0.09 0.47 0.14 0.00 0.00 0.00 0.00 23.12 23.82 2kc0 s ALA 22 CO 0.80 -0.52 1.10 -1.25 0.00 0.00 0.00 175.76 175.89 2kc0 s PRO 23 N -3.06 1.16 -0.16 0.00 0.04 -1.26 -4.08 135.00 127.63 2kc0 s PRO 23 Ca -0.02 0.62 -0.14 0.00 0.04 0.00 0.00 61.00 61.50 2kc0 s PRO 23 Cb 0.01 -1.81 -0.10 0.00 0.04 0.00 0.00 34.50 32.63 2kc0 s PRO 23 CO -0.07 -2.26 0.02 -0.07 0.04 0.00 0.00 177.00 174.67 2kc0 h LEU 24 N -1.55 0.00 0.00 -3.56 -0.00 -1.94 -3.48 115.31 104.77 2kc0 h LEU 24 Ca -0.51 -0.24 -0.01 0.00 -0.00 0.00 0.00 57.88 57.13 2kc0 h LEU 24 Cb 1.30 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.96 2kc0 h LEU 24 CO 0.57 1.03 0.02 -0.67 -0.00 0.00 0.00 178.44 179.39 2kc0 n ASP 25 N -4.56 -0.17 0.00 -0.43 -0.08 -1.26 -5.10 116.55 104.95 2kc0 n ASP 25 Ca -0.17 -1.13 0.00 0.00 -1.51 0.00 0.00 54.79 51.98 2kc0 n ASP 25 Cb 0.42 0.29 0.00 0.00 2.34 0.00 0.00 41.12 44.16 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2kc0 n HIS 26 N -0.04 0.00 0.00 -0.67 8.25 -1.26 -4.95 115.22 116.54 2kc0 n HIS 26 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2kc0 n HIS 26 Cb 0.05 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.00 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 2kc0 n LYS 27 N -2.04 2.77 0.00 -0.41 2.85 -1.26 -4.66 118.16 115.41 2kc0 n LYS 27 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kc0 n LYS 27 Cb 0.00 -0.91 0.00 0.00 -0.65 0.00 0.00 35.03 33.47 2kc0 n LYS 27 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kc0 n ASP 28 N -1.61 0.00 0.00 -5.58 8.00 -1.26 -1.80 116.55 114.29 2kc0 n ASP 28 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2kc0 n ASP 28 Cb 0.32 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 2kc0 n LYS 29 N 0.00 2.96 0.00 -1.24 2.85 -1.26 -5.17 118.16 116.31 2kc0 n LYS 29 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2kc0 n LYS 29 Cb 0.00 -0.31 0.00 0.00 -0.65 0.00 0.00 35.03 34.07 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kc0 n GLY 30 N 0.02 2.95 3.68 2.58 0.00 -0.75 -5.14 105.19 108.53 2kc0 n GLY 30 Ca 0.00 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 3.65 0.00 0.99 7.94 -1.26 -4.77 117.00 123.54 2kc0 n LEU 31 Ca 0.00 1.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 2kc0 n LEU 31 Cb 0.00 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.49 2kc0 n LEU 31 CO 0.00 -0.00 0.18 0.00 -1.11 0.00 0.00 177.39 176.46 2kc0 n GLN 32 N 5.58 0.00 -4.04 1.96 6.02 -1.26 -4.80 117.38 120.83 2kc0 n GLN 32 Ca 0.19 -0.37 -0.10 0.00 -0.01 0.00 0.00 57.00 56.71 2kc0 n GLN 32 Cb 0.33 -0.39 -0.07 0.00 1.02 0.00 0.00 30.24 31.13 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 0.00 0.02 -0.11 1.08 0.15 -1.26 -0.57 113.70 113.01 2kc0 s SER 33 Ca 0.00 -1.04 0.02 0.00 0.70 0.00 0.00 55.95 55.63 2kc0 s SER 33 Cb 0.00 0.48 0.01 0.00 -1.71 0.00 0.00 66.02 64.80 2kc0 s SER 33 CO 0.00 -0.97 -0.16 -0.22 1.20 0.00 0.00 173.24 173.09 2kc0 s LEU 34 N -3.04 1.75 0.01 3.45 0.20 -0.23 -4.84 118.68 115.98 2kc0 s LEU 34 Ca 0.25 -0.43 -0.14 0.00 0.69 0.00 0.00 54.13 54.50 2kc0 s LEU 34 Cb 0.03 -1.10 -0.06 0.00 -0.43 0.00 0.00 46.19 44.63 2kc0 s LEU 34 CO 0.07 0.03 0.40 0.28 -0.29 0.00 0.00 176.35 176.84 2kc0 s THR 35 N 0.92 5.05 -0.53 3.68 -1.32 -1.26 -0.45 115.64 121.72 2kc0 s THR 35 Ca -0.08 0.79 0.02 0.00 -1.21 0.00 0.00 61.69 61.20 2kc0 s THR 35 Cb -0.15 -3.70 0.51 0.00 -1.51 0.00 0.00 72.50 67.65 2kc0 s THR 35 CO -0.01 0.55 1.85 0.18 -2.21 0.00 0.00 174.62 174.98 2kc0 n LEU 36 N 1.72 6.79 0.05 9.08 4.32 -1.09 -4.68 117.00 133.19 2kc0 n LEU 36 Ca -0.13 -4.14 0.19 0.00 -0.02 0.00 0.00 56.01 51.91 2kc0 n LEU 36 Cb 0.52 -0.83 0.71 0.00 -1.62 0.00 0.00 43.42 42.20 2kc0 n LEU 36 CO 0.38 1.43 1.17 0.44 -1.22 0.00 0.00 177.39 179.59 2kc0 h ASP 37 N 1.69 0.00 -0.01 -1.43 5.19 -1.89 -1.85 116.42 118.11 2kc0 h ASP 37 Ca 0.55 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.96 2kc0 h ASP 37 Cb 1.48 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.99 2kc0 h ASP 37 CO 1.26 0.00 -0.09 0.00 -3.12 0.00 0.00 179.24 177.29 2kc0 n GLN 38 N -4.24 1.19 -0.07 3.56 3.00 -1.26 -4.73 117.38 114.82 2kc0 n GLN 38 Ca 0.08 -0.96 -0.11 0.00 -0.01 0.00 0.00 57.00 56.00 2kc0 n GLN 38 Cb 0.54 -1.17 -0.09 0.00 0.00 0.00 0.00 30.24 29.52 2kc0 n GLN 38 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kc0 h SER 39 N 1.82 0.00 -3.53 1.08 0.87 -1.69 -3.48 113.55 108.61 2kc0 h SER 39 Ca 0.00 -0.60 -0.33 0.00 -1.23 0.00 0.00 61.79 59.63 2kc0 h SER 39 Cb 0.43 0.00 -0.33 0.00 -0.44 0.00 0.00 62.40 62.06 2kc0 h SER 39 CO 0.00 0.94 -0.74 0.54 -0.53 0.00 0.00 176.83 177.03 2kc0 s VAL 40 N -2.08 0.13 0.64 2.23 0.11 -1.19 -5.16 120.40 115.09 2kc0 s VAL 40 Ca -0.16 0.09 -0.11 0.00 -2.93 0.00 0.00 61.98 58.88 2kc0 s VAL 40 Cb -0.00 -0.22 -0.02 0.00 -1.53 0.00 0.00 36.38 34.61 2kc0 s VAL 40 CO 0.47 0.12 1.04 0.00 -3.33 0.00 0.00 175.10 173.40 2kc0 s ARG 41 N 0.91 3.28 0.00 1.54 1.70 -1.26 -4.83 118.95 120.29 2kc0 s ARG 41 Ca -0.09 0.57 0.04 0.00 -0.47 0.00 0.00 55.73 55.79 2kc0 s ARG 41 Cb -0.12 -2.08 0.23 0.00 -0.57 0.00 0.00 34.95 32.41 2kc0 s ARG 41 CO -0.02 -0.74 0.67 1.63 -1.08 0.00 0.00 175.30 175.76 2kc0 n LYS 42 N -2.82 0.14 0.00 3.89 5.02 -1.26 -2.81 118.16 120.32 2kc0 n LYS 42 Ca 0.06 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.42 2kc0 n LYS 42 Cb 0.55 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 34.10 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2kc0 n ASN 43 N -0.94 1.22 -4.21 4.39 3.02 -1.26 -4.59 115.26 112.89 2kc0 n ASN 43 Ca 0.03 -1.11 -0.20 0.00 -0.03 0.00 0.00 54.58 53.27 2kc0 n ASN 43 Cb 0.01 0.65 -0.12 0.00 -0.61 0.00 0.00 39.78 39.71 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2kc0 s GLU 44 N -1.93 0.94 -0.41 3.52 -1.05 -1.12 -4.90 118.70 113.74 2kc0 s GLU 44 Ca 0.10 -1.05 -0.08 0.00 -0.15 0.00 0.00 54.97 53.79 2kc0 s GLU 44 Cb 0.11 -1.02 0.08 0.00 -0.44 0.00 0.00 34.13 32.87 2kc0 s GLU 44 CO 0.43 0.23 0.24 0.21 0.95 0.00 0.00 175.26 177.32 2kc0 s LYS 45 N -1.88 2.53 0.08 -4.83 2.20 0.07 -4.10 119.74 113.81 2kc0 s LYS 45 Ca 0.02 -1.49 -0.23 0.00 -0.36 0.00 0.00 55.97 53.90 2kc0 s LYS 45 Cb -0.10 -3.73 -0.06 0.00 -1.51 0.00 0.00 37.83 32.43 2kc0 s LYS 45 CO 0.03 -0.95 0.71 -1.17 -0.36 0.00 0.00 175.35 173.60 2kc0 s LEU 46 N 1.39 4.50 -0.16 5.43 0.20 0.22 -1.23 118.68 129.03 2kc0 s LEU 46 Ca 0.03 1.42 0.00 0.00 0.69 0.00 0.00 54.13 56.28 2kc0 s LEU 46 Cb -0.23 -3.14 0.03 0.00 -0.43 0.00 0.00 46.19 42.42 2kc0 s LEU 46 CO 0.01 0.13 -0.13 -0.75 -0.29 0.00 0.00 176.35 175.32 2kc0 s LYS 47 N -0.57 2.27 -0.04 1.98 2.47 0.24 -0.88 119.74 125.20 2kc0 s LYS 47 Ca 0.35 -0.64 0.05 0.00 -1.56 0.00 0.00 55.97 54.17 2kc0 s LYS 47 Cb -0.21 -2.20 -0.01 0.00 -1.46 0.00 0.00 37.83 33.96 2kc0 s LYS 47 CO 0.22 -0.28 -0.20 -1.17 0.16 0.00 0.00 175.35 174.08 2kc0 s LEU 48 N 1.46 1.98 0.00 5.43 1.98 -0.40 -0.80 118.68 128.33 2kc0 s LEU 48 Ca 0.04 -0.41 -0.22 0.00 -2.89 0.00 0.00 54.13 50.65 2kc0 s LEU 48 Cb -0.14 -1.11 0.05 0.00 0.66 0.00 0.00 46.19 45.65 2kc0 s LEU 48 CO -0.10 0.20 0.48 0.00 -1.89 0.00 0.00 176.35 175.03 2kc0 s ALA 49 N -0.10 -1.23 -0.12 5.97 0.00 -0.63 -0.36 121.76 125.29 2kc0 s ALA 49 Ca -0.02 0.66 -0.30 0.00 0.00 0.00 0.00 51.96 52.30 2kc0 s ALA 49 Cb -0.12 0.17 0.10 0.00 0.00 0.00 0.00 23.12 23.27 2kc0 s ALA 49 CO 0.02 -0.38 0.83 0.00 0.00 0.00 0.00 175.76 176.23 2kc0 s ALA 50 N -1.76 -1.85 -1.50 0.00 0.00 -0.47 -1.20 121.76 114.98 2kc0 s ALA 50 Ca -0.09 1.50 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 2kc0 s ALA 50 Cb -0.02 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.68 2kc0 s ALA 50 CO 0.03 -0.34 0.65 1.04 0.00 0.00 0.00 175.76 177.15 2kc0 n GLN 51 N 1.02 -4.97 -0.94 0.00 6.02 -1.26 -1.43 117.38 115.82 2kc0 n GLN 51 Ca -0.15 0.83 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2kc0 n GLN 51 Cb 0.57 -5.69 0.00 0.00 1.02 0.00 0.00 30.24 26.15 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 -1.52 0.62 3.84 1.08 0.00 -1.26 -4.55 105.19 103.40 2kc0 n GLY 52 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.69 3.69 0.01 4.61 0.00 -0.51 -5.10 121.76 121.77 2kc0 s ALA 53 Ca 0.00 -1.11 -0.18 0.00 0.00 0.00 0.00 51.96 50.67 2kc0 s ALA 53 Cb 0.00 -1.51 0.03 0.00 0.00 0.00 0.00 23.12 21.65 2kc0 s ALA 53 CO 0.00 0.57 0.39 -1.83 0.00 0.00 0.00 175.76 174.90 2kc0 s GLU 54 N -2.97 0.82 -0.05 0.00 4.04 -1.26 -1.37 118.70 117.90 2kc0 s GLU 54 Ca 0.32 -0.22 -0.02 0.00 0.04 0.00 0.00 54.97 55.09 2kc0 s GLU 54 Cb -0.11 0.37 0.03 0.00 0.02 0.00 0.00 34.13 34.44 2kc0 s GLU 54 CO 0.25 -0.25 0.10 0.21 -1.84 0.00 0.00 175.26 173.72 2kc0 s LYS 55 N -1.82 0.04 -0.27 -4.83 2.47 0.52 -4.95 119.74 110.90 2kc0 s LYS 55 Ca -0.10 0.29 -0.25 0.00 -1.56 0.00 0.00 55.97 54.35 2kc0 s LYS 55 Cb -0.03 -0.19 -0.00 0.00 -1.46 0.00 0.00 37.83 36.15 2kc0 s LYS 55 CO 0.02 -0.16 0.84 0.99 0.16 0.00 0.00 175.35 177.20 2kc0 s THR 56 N 1.07 4.80 0.02 3.43 2.01 -1.26 -1.28 115.64 124.42 2kc0 s THR 56 Ca -0.08 1.48 0.00 0.00 0.31 0.00 0.00 61.69 63.40 2kc0 s THR 56 Cb -0.11 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.24 2kc0 s THR 56 CO -0.04 -0.16 0.02 0.00 -0.69 0.00 0.00 174.62 173.75 2kc0 n TYR 57 N 6.14 -0.26 -0.16 4.92 4.11 -0.05 -5.01 117.16 126.85 2kc0 n TYR 57 Ca 0.06 -0.16 0.00 0.00 -0.00 0.00 0.00 57.90 57.80 2kc0 n TYR 57 Cb 0.48 0.03 0.00 0.00 -0.00 0.00 0.00 39.34 39.84 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 -0.04 0.83 4.94 -7.48 0.00 -1.26 -0.61 105.19 101.58 2kc0 n GLY 58 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 -4.10 115.26 115.64 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 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.86 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 -0.75 0.94 0.00 7.41 0.00 -1.26 -4.57 105.19 106.96 2kc0 n GLY 60 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2kc0 n GLY 60 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kc0 n ASP 61 N 0.00 0.00 -4.45 1.61 -0.08 -1.26 -5.09 116.55 107.28 2kc0 n ASP 61 Ca 0.00 -0.98 -0.25 0.00 -1.51 0.00 0.00 54.79 52.05 2kc0 n ASP 61 Cb 0.00 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.35 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N -0.94 3.54 -0.20 1.67 1.04 -1.26 -2.68 113.70 114.87 2kc0 s SER 62 Ca 0.00 -0.96 -0.05 0.00 0.48 0.00 0.00 55.95 55.42 2kc0 s SER 62 Cb 0.00 -0.29 -0.02 0.00 0.10 0.00 0.00 66.02 65.81 2kc0 s SER 62 CO 0.00 0.07 -0.01 -0.22 0.98 0.00 0.00 173.24 174.06 2kc0 s LEU 63 N -3.18 3.17 0.81 2.42 2.96 0.41 -4.90 118.68 120.36 2kc0 s LEU 63 Ca 0.26 -0.25 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 2kc0 s LEU 63 Cb -0.06 -1.80 0.08 0.00 0.50 0.00 0.00 46.19 44.91 2kc0 s LEU 63 CO 0.13 0.05 1.14 0.21 -1.32 0.00 0.00 176.35 176.56 2kc0 s ASN 64 N 1.10 3.86 0.00 3.68 2.47 -1.26 -1.07 114.94 123.72 2kc0 s ASN 64 Ca 0.02 2.09 0.00 0.00 0.42 0.00 0.00 52.86 55.39 2kc0 s ASN 64 Cb -0.14 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2kc0 s ASN 64 CO 0.01 -2.48 0.00 0.35 -3.72 0.00 0.00 177.10 171.26 2kc0 n THR 65 N -3.55 0.00 -4.91 -5.21 -2.24 0.04 -4.78 114.28 93.64 2kc0 n THR 65 Ca 0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2kc0 n THR 65 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 2kc0 n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kc0 n GLY 66 N 0.22 1.62 0.11 3.38 0.00 0.26 -4.18 105.19 106.60 2kc0 n GLY 66 Ca 0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 2kc0 n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kc0 h LYS 67 N 0.00 0.03 -6.82 1.61 1.79 -1.89 -3.40 116.57 107.88 2kc0 h LYS 67 Ca 0.00 -0.05 -0.44 0.00 -2.18 0.00 0.00 60.65 57.99 2kc0 h LYS 67 Cb 0.00 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 2kc0 h LYS 67 CO 0.00 1.02 -0.81 -0.11 -1.08 0.00 0.00 179.45 178.47 2kc0 n LEU 68 N -4.34 -0.55 -4.67 2.94 0.00 -1.26 -4.74 117.00 104.38 2kc0 n LEU 68 Ca -0.32 -0.92 -0.29 0.00 0.00 0.00 0.00 56.01 54.48 2kc0 n LEU 68 Cb 0.72 -1.21 0.17 0.00 0.00 0.00 0.00 43.42 43.09 2kc0 n LEU 68 CO 0.21 0.52 0.64 -1.59 0.00 0.00 0.00 177.39 177.18 2kc0 s LYS 69 N -5.95 0.63 -0.30 1.96 0.00 -1.26 -4.62 119.74 110.19 2kc0 s LYS 69 Ca 0.24 0.71 -0.01 0.00 0.00 0.00 0.00 55.97 56.91 2kc0 s LYS 69 Cb -0.13 -1.74 -0.01 0.00 0.00 0.00 0.00 37.83 35.94 2kc0 s LYS 69 CO 0.73 -2.65 0.26 0.09 0.00 0.00 0.00 175.35 173.78 2kc0 n ASN 70 N -4.15 -2.77 -1.08 0.03 5.03 -1.26 -4.84 115.26 106.22 2kc0 n ASN 70 Ca 0.06 -0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.32 2kc0 n ASN 70 Cb 0.56 -1.78 0.00 0.00 -1.02 0.00 0.00 39.78 37.54 2kc0 n ASN 70 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2kc0 n ASP 71 N -1.82 0.00 -4.35 6.41 8.00 -1.26 -4.92 116.55 118.61 2kc0 n ASP 71 Ca -0.04 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.27 2kc0 n ASP 71 Cb 0.54 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 2kc0 s LYS 72 N -0.63 1.36 -0.16 -1.24 -2.85 -1.13 -4.93 119.74 110.15 2kc0 s LYS 72 Ca 0.00 -1.65 -0.02 0.00 -1.00 0.00 0.00 55.97 53.30 2kc0 s LYS 72 Cb 0.00 -0.93 -0.02 0.00 -2.06 0.00 0.00 37.83 34.82 2kc0 s LYS 72 CO 0.00 0.05 -0.07 0.08 0.10 0.00 0.00 175.35 175.51 2kc0 s VAL 73 N -3.15 3.47 0.18 1.79 1.01 -1.26 -0.55 120.40 121.89 2kc0 s VAL 73 Ca 0.25 -0.50 -0.18 0.00 0.00 0.00 0.00 61.98 61.55 2kc0 s VAL 73 Cb 0.03 -2.51 -0.08 0.00 0.00 0.00 0.00 36.38 33.82 2kc0 s VAL 73 CO 0.08 0.49 0.66 -0.44 0.00 0.00 0.00 175.10 175.88 2kc0 s SER 74 N 0.61 7.01 -0.21 3.32 0.01 -0.09 -4.91 113.70 119.44 2kc0 s SER 74 Ca -0.04 1.31 -0.07 0.00 1.31 0.00 0.00 55.95 58.46 2kc0 s SER 74 Cb -0.15 -2.38 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 2kc0 s SER 74 CO 0.03 0.10 0.06 0.00 0.41 0.00 0.00 173.24 173.83 2kc0 s ARG 75 N -1.80 3.82 0.01 12.44 1.70 -1.26 -1.58 118.95 132.27 2kc0 s ARG 75 Ca 0.39 -0.41 0.02 0.00 -0.47 0.00 0.00 55.73 55.25 2kc0 s ARG 75 Cb -0.17 -3.24 -0.01 0.00 -0.57 0.00 0.00 34.95 30.96 2kc0 s ARG 75 CO 0.20 0.08 -0.05 -0.06 -1.08 0.00 0.00 175.30 174.39 2kc0 s PHE 76 N 0.90 0.48 -0.03 5.89 0.08 -0.81 -4.83 117.98 119.65 2kc0 s PHE 76 Ca 0.03 -0.18 -0.26 0.00 0.12 0.00 0.00 56.93 56.65 2kc0 s PHE 76 Cb -0.14 -0.30 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 2kc0 s PHE 76 CO 0.03 -0.03 0.81 0.34 -0.10 0.00 0.00 175.22 176.26 2kc0 s ASP 77 N -0.45 7.15 -0.21 1.36 2.15 -0.34 -2.41 116.67 123.93 2kc0 s ASP 77 Ca -0.01 1.39 -0.02 0.00 0.43 0.00 0.00 52.55 54.34 2kc0 s ASP 77 Cb -0.04 -2.47 0.06 0.00 -0.30 0.00 0.00 42.92 40.17 2kc0 s ASP 77 CO -0.00 -0.15 0.01 0.12 -0.17 0.00 0.00 175.17 174.98 2kc0 s PHE 78 N 0.76 1.46 -0.10 -5.34 2.19 -0.47 -1.61 117.98 114.87 2kc0 s PHE 78 Ca 0.43 -1.14 0.01 0.00 0.33 0.00 0.00 56.93 56.55 2kc0 s PHE 78 Cb -0.19 -1.20 -0.02 0.00 -1.31 0.00 0.00 43.02 40.29 2kc0 s PHE 78 CO 0.22 -0.66 -0.12 0.42 1.83 0.00 0.00 175.22 176.91 2kc0 s ILE 79 N 1.71 3.21 -0.13 3.12 1.09 0.02 -0.88 121.20 129.33 2kc0 s ILE 79 Ca -0.03 -0.63 0.00 0.00 -1.10 0.00 0.00 60.65 58.90 2kc0 s ILE 79 Cb -0.18 -2.32 0.02 0.00 -1.06 0.00 0.00 42.46 38.92 2kc0 s ILE 79 CO -0.07 0.55 -0.12 0.00 -0.10 0.00 0.00 174.94 175.19 2kc0 s ARG 80 N -0.08 2.04 0.04 2.79 1.04 -0.86 -0.60 118.95 123.33 2kc0 s ARG 80 Ca -0.02 -0.46 0.08 0.00 -1.04 0.00 0.00 55.73 54.29 2kc0 s ARG 80 Cb -0.14 -1.92 -0.02 0.00 -2.04 0.00 0.00 34.95 30.83 2kc0 s ARG 80 CO 0.04 -0.24 -0.22 -0.65 -0.04 0.00 0.00 175.30 174.19 2kc0 s GLN 81 N 1.53 1.51 -0.09 3.89 -0.21 -0.36 -4.31 119.66 121.62 2kc0 s GLN 81 Ca 0.04 -0.96 -0.23 0.00 0.02 0.00 0.00 55.36 54.24 2kc0 s GLN 81 Cb -0.13 -1.62 0.05 0.00 1.00 0.00 0.00 33.01 32.31 2kc0 s GLN 81 CO -0.09 0.42 0.54 -1.50 -2.12 0.00 0.00 175.29 172.53 2kc0 s ILE 82 N -0.77 0.02 -1.38 1.08 2.07 -1.26 -0.75 121.20 120.21 2kc0 s ILE 82 Ca 0.08 -0.14 -0.11 0.00 -1.41 0.00 0.00 60.65 59.07 2kc0 s ILE 82 Cb -0.09 -0.82 0.10 0.00 0.13 0.00 0.00 42.46 41.77 2kc0 s ILE 82 CO 0.02 -0.08 2.12 1.21 -1.91 0.00 0.00 174.94 176.29 2kc0 n GLU 83 N 1.56 3.34 -1.68 3.50 2.13 -1.26 -4.11 120.64 124.12 2kc0 n GLU 83 Ca -0.18 -3.05 -0.44 0.00 0.66 0.00 0.00 57.16 54.15 2kc0 n GLU 83 Cb 0.56 -3.06 -0.04 0.00 0.27 0.00 0.00 31.44 29.18 2kc0 n GLU 83 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 2kc0 n VAL 84 N 4.03 0.40 -1.01 6.31 0.24 -0.79 -1.46 118.33 126.04 2kc0 n VAL 84 Ca 0.48 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.34 62.64 2kc0 n VAL 84 Cb 0.36 -2.00 -0.03 0.00 -1.47 0.00 0.00 33.84 30.70 2kc0 n VAL 84 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2kc0 n ASP 85 N 5.69 -3.20 0.00 -1.34 9.92 -1.26 -0.73 116.55 125.63 2kc0 n ASP 85 Ca 0.19 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.62 2kc0 n ASP 85 Cb 0.35 -2.62 0.00 0.00 -0.64 0.00 0.00 41.12 38.21 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kc0 n GLY 86 N 0.11 0.76 3.61 0.44 0.00 -0.53 -5.10 105.19 104.47 2kc0 n GLY 86 Ca -0.07 -0.30 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.74 3.08 -0.31 1.61 -0.21 0.09 -5.09 119.66 118.08 2kc0 s GLN 87 Ca 0.00 -0.48 -0.25 0.00 0.02 0.00 0.00 55.36 54.65 2kc0 s GLN 87 Cb 0.00 -2.76 0.01 0.00 1.00 0.00 0.00 33.01 31.26 2kc0 s GLN 87 CO 0.00 0.58 0.87 -1.17 -2.12 0.00 0.00 175.29 173.45 2kc0 s LEU 88 N -0.55 4.05 -0.02 2.90 1.98 -1.26 -1.89 118.68 123.88 2kc0 s LEU 88 Ca 0.09 0.78 0.07 0.00 -2.89 0.00 0.00 54.13 52.18 2kc0 s LEU 88 Cb -0.12 -3.21 -0.02 0.00 0.66 0.00 0.00 46.19 43.50 2kc0 s LEU 88 CO 0.02 -0.69 -0.24 -0.63 -1.89 0.00 0.00 176.35 172.91 2kc0 s ILE 89 N 3.16 1.94 -0.46 6.68 1.01 -1.26 -5.03 121.20 127.25 2kc0 s ILE 89 Ca 0.36 -1.04 0.06 0.00 0.00 0.00 0.00 60.65 60.03 2kc0 s ILE 89 Cb -0.14 -1.61 0.22 0.00 0.01 0.00 0.00 42.46 40.94 2kc0 s ILE 89 CO 0.13 0.55 0.66 1.07 0.00 0.00 0.00 174.94 177.35 2kc0 n THR 90 N 2.53 -0.40 -1.97 2.92 5.66 -1.26 -4.05 114.28 117.72 2kc0 n THR 90 Ca -0.16 -2.35 0.00 0.00 -3.05 0.00 0.00 64.05 58.49 2kc0 n THR 90 Cb 0.52 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 2kc0 n THR 90 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kc0 n LEU 91 N 2.11 0.00 -4.64 1.09 4.77 -1.26 -5.09 117.00 113.99 2kc0 n LEU 91 Ca 0.18 -0.94 -0.37 0.00 -0.03 0.00 0.00 56.01 54.85 2kc0 n LEU 91 Cb 0.56 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 2kc0 n LEU 91 CO 0.07 0.73 -0.12 -1.61 -1.33 0.00 0.00 177.39 175.13 2kc0 s GLU 92 N 0.00 4.05 0.12 3.23 8.01 -1.26 -3.15 118.70 129.70 2kc0 s GLU 92 Ca 0.00 -0.19 -0.12 0.00 0.01 0.00 0.00 54.97 54.66 2kc0 s GLU 92 Cb 0.00 -3.58 0.02 0.00 -4.31 0.00 0.00 34.13 26.25 2kc0 s GLU 92 CO 0.00 -0.05 0.31 -1.12 0.01 0.00 0.00 175.26 174.42 2kc0 s SER 93 N 1.29 -0.07 0.00 -0.19 0.01 -1.26 -2.02 113.70 111.47 2kc0 s SER 93 Ca 0.10 -0.52 0.00 0.00 1.31 0.00 0.00 55.95 56.83 2kc0 s SER 93 Cb -0.14 0.42 0.00 0.00 0.21 0.00 0.00 66.02 66.51 2kc0 s SER 93 CO 0.07 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.51 2kc0 n GLY 94 N -0.17 1.70 3.98 3.44 0.00 -0.06 -4.23 105.19 109.85 2kc0 n GLY 94 Ca -0.14 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.04 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 1.08 2.88 -0.25 1.61 2.12 0.46 -1.37 118.70 125.24 2kc0 s GLU 95 Ca 0.00 -0.88 -0.04 0.00 0.36 0.00 0.00 54.97 54.41 2kc0 s GLU 95 Cb 0.00 -2.66 0.13 0.00 0.26 0.00 0.00 34.13 31.87 2kc0 s GLU 95 CO 0.00 -0.30 0.43 0.12 -0.54 0.00 0.00 175.26 174.97 2kc0 s PHE 96 N -2.46 -0.97 -0.21 5.30 5.36 -1.01 -2.31 117.98 121.67 2kc0 s PHE 96 Ca 0.51 1.18 -0.04 0.00 -0.96 0.00 0.00 56.93 57.63 2kc0 s PHE 96 Cb -0.10 0.20 -0.02 0.00 -0.34 0.00 0.00 43.02 42.77 2kc0 s PHE 96 CO 0.35 -0.70 -0.03 -0.65 -1.46 0.00 0.00 175.22 172.74 2kc0 s GLN 97 N 2.63 3.48 -0.28 10.12 -0.21 -0.58 -1.93 119.66 132.88 2kc0 s GLN 97 Ca 0.11 -0.58 0.00 0.00 0.02 0.00 0.00 55.36 54.90 2kc0 s GLN 97 Cb -0.15 -3.02 0.08 0.00 1.00 0.00 0.00 33.01 30.93 2kc0 s GLN 97 CO -0.16 -0.09 0.04 0.08 -2.12 0.00 0.00 175.29 173.04 2kc0 s VAL 98 N 1.23 1.21 0.34 1.09 1.01 -0.62 -1.57 120.40 123.09 2kc0 s VAL 98 Ca 0.03 -1.38 -0.27 0.00 0.00 0.00 0.00 61.98 60.35 2kc0 s VAL 98 Cb -0.14 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.37 2kc0 s VAL 98 CO -0.00 -0.45 1.11 -0.47 0.00 0.00 0.00 175.10 175.28 2kc0 s TYR 99 N 1.48 3.37 -0.08 5.22 6.14 -0.91 -0.91 117.35 131.65 2kc0 s TYR 99 Ca 0.04 1.64 0.01 0.00 0.64 0.00 0.00 57.07 59.40 2kc0 s TYR 99 Cb -0.18 -3.28 -0.03 0.00 0.42 0.00 0.00 41.96 38.89 2kc0 s TYR 99 CO -0.15 -0.79 -0.08 0.15 0.64 0.00 0.00 175.55 175.32 2kc0 s LYS 100 N -1.92 2.86 0.23 4.97 3.01 0.29 -3.70 119.74 125.48 2kc0 s LYS 100 Ca 0.51 -0.57 -0.08 0.00 -1.01 0.00 0.00 55.97 54.81 2kc0 s LYS 100 Cb -0.29 -2.60 -0.02 0.00 -1.01 0.00 0.00 37.83 33.91 2kc0 s LYS 100 CO 0.38 0.59 0.35 -1.14 0.51 0.00 0.00 175.35 176.03 2kc0 s GLN 101 N -0.60 1.41 0.18 1.68 0.74 -0.54 -2.82 119.66 119.71 2kc0 s GLN 101 Ca 0.09 -1.38 -0.14 0.00 0.05 0.00 0.00 55.36 53.97 2kc0 s GLN 101 Cb -0.12 0.40 0.16 0.00 1.10 0.00 0.00 33.01 34.55 2kc0 s GLN 101 CO 0.02 -0.55 1.70 0.77 -0.55 0.00 0.00 175.29 176.68 2kc0 h SER 102 N 2.39 -0.13 0.00 6.67 0.02 -1.95 -3.30 113.55 117.25 2kc0 h SER 102 Ca -0.30 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kc0 h SER 102 Cb 1.25 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2kc0 h SER 102 CO 0.42 -0.03 -0.19 1.41 -1.14 0.00 0.00 176.83 177.30 2kc0 n HIS 103 N -5.18 0.00 -3.97 3.45 8.25 -1.26 -4.92 115.22 111.59 2kc0 n HIS 103 Ca 0.04 -0.31 -0.11 0.00 -0.26 0.00 0.00 57.72 57.09 2kc0 n HIS 103 Cb 0.24 -0.06 -0.12 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.19 0.25 -0.18 0.41 0.01 -1.25 -4.10 113.70 107.65 2kc0 s SER 104 Ca 0.07 -0.31 -0.17 0.00 1.31 0.00 0.00 55.95 56.86 2kc0 s SER 104 Cb 0.06 0.05 0.05 0.00 0.21 0.00 0.00 66.02 66.39 2kc0 s SER 104 CO 0.01 -0.16 0.48 0.00 0.41 0.00 0.00 173.24 173.98 2kc0 s ALA 105 N -0.86 -1.18 0.02 1.44 0.00 -0.80 -1.47 121.76 118.91 2kc0 s ALA 105 Ca -0.09 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2kc0 s ALA 105 Cb -0.06 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.26 2kc0 s ALA 105 CO -0.00 -0.23 -0.05 -0.48 0.00 0.00 0.00 175.76 175.00 2kc0 s LEU 106 N 0.26 2.14 -0.03 0.00 2.34 -1.24 -1.53 118.68 120.62 2kc0 s LEU 106 Ca -0.00 -0.32 0.03 0.00 0.06 0.00 0.00 54.13 53.90 2kc0 s LEU 106 Cb -0.03 -0.13 -0.03 0.00 -0.56 0.00 0.00 46.19 45.44 2kc0 s LEU 106 CO 0.01 -0.11 -0.11 0.28 -1.06 0.00 0.00 176.35 175.35 2kc0 s THR 107 N -0.81 3.31 0.02 5.48 -1.32 -0.74 -2.14 115.64 119.43 2kc0 s THR 107 Ca -0.06 -0.74 0.08 0.00 -1.21 0.00 0.00 61.69 59.76 2kc0 s THR 107 Cb -0.06 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.55 2kc0 s THR 107 CO -0.00 0.51 -0.23 0.00 -2.21 0.00 0.00 174.62 172.69 2kc0 s ALA 108 N -0.84 1.96 0.02 11.08 0.00 -0.61 -2.15 121.76 131.23 2kc0 s ALA 108 Ca 0.13 -1.09 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2kc0 s ALA 108 Cb -0.11 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2kc0 s ALA 108 CO 0.03 0.47 0.24 -0.06 0.00 0.00 0.00 175.76 176.43 2kc0 s PHE 109 N -0.69 3.55 -0.39 0.00 0.40 -0.17 -1.53 117.98 119.15 2kc0 s PHE 109 Ca 0.09 0.44 0.04 0.00 -0.60 0.00 0.00 56.93 56.90 2kc0 s PHE 109 Cb -0.09 -1.89 0.16 0.00 0.51 0.00 0.00 43.02 41.71 2kc0 s PHE 109 CO 0.01 0.61 0.42 -1.14 0.70 0.00 0.00 175.22 175.82 2kc0 s GLN 110 N -2.03 0.71 0.01 0.44 -0.44 -0.98 -2.52 119.66 114.86 2kc0 s GLN 110 Ca 0.30 -0.92 -0.08 0.00 -2.50 0.00 0.00 55.36 52.16 2kc0 s GLN 110 Cb -0.13 -0.65 -0.05 0.00 -1.64 0.00 0.00 33.01 30.54 2kc0 s GLN 110 CO 0.20 -1.22 0.29 -0.08 0.50 0.00 0.00 175.29 174.98 2kc0 s THR 111 N 1.32 5.26 -0.06 -0.34 -1.32 -0.76 -0.40 115.64 119.34 2kc0 s THR 111 Ca 0.19 0.27 -0.00 0.00 -1.21 0.00 0.00 61.69 60.94 2kc0 s THR 111 Cb -0.12 -3.58 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 2kc0 s THR 111 CO -0.04 0.39 -0.05 -1.84 -2.21 0.00 0.00 174.62 170.87 2kc0 n GLU 112 N 1.21 0.14 -3.74 7.08 0.28 -1.26 -1.17 120.64 123.17 2kc0 n GLU 112 Ca -0.12 0.03 -0.14 0.00 -0.16 0.00 0.00 57.16 56.78 2kc0 n GLU 112 Cb 0.53 -1.06 -0.09 0.00 1.43 0.00 0.00 31.44 32.25 2kc0 n GLU 112 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 2kc0 s GLN 113 N -2.11 0.64 0.17 3.44 1.03 -1.26 -3.04 119.66 118.52 2kc0 s GLN 113 Ca -0.07 0.03 -0.06 0.00 0.04 0.00 0.00 55.36 55.29 2kc0 s GLN 113 Cb 0.02 0.29 -0.02 0.00 0.03 0.00 0.00 33.01 33.33 2kc0 s GLN 113 CO 0.12 -0.16 0.23 0.96 -2.54 0.00 0.00 175.29 173.90 2kc0 s ILE 114 N -0.92 0.06 0.48 3.63 -4.36 -0.59 -4.04 121.20 115.45 2kc0 s ILE 114 Ca -0.10 -1.59 -0.16 0.00 -0.26 0.00 0.00 60.65 58.54 2kc0 s ILE 114 Cb -0.04 -2.00 -0.08 0.00 1.25 0.00 0.00 42.46 41.59 2kc0 s ILE 114 CO 0.04 -0.28 0.93 -1.58 0.24 0.00 0.00 174.94 174.29 2kc0 s GLN 115 N -4.01 3.95 -0.07 0.37 -0.44 -1.19 -0.91 119.66 117.36 2kc0 s GLN 115 Ca 0.22 0.87 0.03 0.00 -2.50 0.00 0.00 55.36 53.98 2kc0 s GLN 115 Cb 0.04 -2.20 -0.02 0.00 -1.64 0.00 0.00 33.01 29.19 2kc0 s GLN 115 CO 0.03 -0.18 -0.14 0.34 0.50 0.00 0.00 175.29 175.84 2kc0 s ASP 116 N -2.95 4.07 0.00 6.67 2.15 0.12 -4.80 116.67 121.92 2kc0 s ASP 116 Ca 0.58 -0.21 0.24 0.00 0.43 0.00 0.00 52.55 53.59 2kc0 s ASP 116 Cb -0.10 -1.01 0.34 0.00 -0.30 0.00 0.00 42.92 41.86 2kc0 s ASP 116 CO 0.29 0.31 1.30 -1.54 -0.17 0.00 0.00 175.17 175.36 2kc0 n SER 117 N 2.53 0.80 0.19 -0.34 3.41 -1.26 -1.07 113.62 117.87 2kc0 n SER 117 Ca -0.17 -0.61 0.14 0.00 -0.26 0.00 0.00 58.87 57.97 2kc0 n SER 117 Cb 0.52 0.42 0.59 0.00 -0.26 0.00 0.00 64.21 65.48 2kc0 n SER 117 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2kc0 h GLU 118 N 0.35 0.00 0.00 4.33 5.08 -1.99 -3.00 114.58 119.35 2kc0 h GLU 118 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kc0 h GLU 118 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kc0 h GLU 118 CO 0.00 0.00 -0.21 1.58 -1.00 0.00 0.00 179.01 179.38 2kc0 n HIS 119 N -2.55 0.00 -3.98 4.33 -0.00 -1.26 -5.06 115.22 106.71 2kc0 n HIS 119 Ca 0.01 -0.15 -0.29 0.00 0.46 0.00 0.00 57.72 57.75 2kc0 n HIS 119 Cb 0.24 -0.04 -0.02 0.00 -0.12 0.00 0.00 29.99 30.05 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kc0 n SER 120 N -0.19 -1.32 0.00 0.26 2.88 -1.06 -4.48 113.62 109.71 2kc0 n SER 120 Ca 0.02 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.47 2kc0 n SER 120 Cb 0.57 -2.74 0.00 0.00 -0.75 0.00 0.00 64.21 61.29 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 -2.04 -0.32 3.51 0.46 0.00 -0.23 -4.99 105.19 101.57 2kc0 n GLY 121 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.01 -3.86 1.61 5.02 -1.07 -4.83 118.16 113.03 2kc0 n LYS 122 Ca 0.00 -1.82 -0.15 0.00 -2.02 0.00 0.00 58.31 54.32 2kc0 n LYS 122 Cb 0.00 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 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 -5.58 0.10 -0.01 1.97 -2.45 -1.26 -0.70 119.30 111.37 2kc0 s MET 123 Ca 0.70 0.10 0.00 0.00 -1.25 0.00 0.00 55.69 55.24 2kc0 s MET 123 Cb -0.04 -0.29 0.01 0.00 1.25 0.00 0.00 34.83 35.76 2kc0 s MET 123 CO 0.51 -0.11 -0.00 0.14 1.05 0.00 0.00 175.02 176.60 2kc0 s VAL 124 N 0.79 0.06 -1.40 10.11 -7.23 -0.09 -4.88 120.40 117.77 2kc0 s VAL 124 Ca -0.07 0.02 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 2kc0 s VAL 124 Cb -0.10 -0.10 0.07 0.00 0.56 0.00 0.00 36.38 36.81 2kc0 s VAL 124 CO -0.02 0.05 2.42 0.00 -0.31 0.00 0.00 175.10 177.23 2kc0 n ALA 125 N 3.37 6.62 -1.62 1.32 0.00 -1.26 -1.54 120.51 127.40 2kc0 n ALA 125 Ca -0.17 -3.98 -0.39 0.00 0.00 0.00 0.00 53.44 48.90 2kc0 n ALA 125 Cb 0.57 -3.03 -0.04 0.00 0.00 0.00 0.00 19.45 16.95 2kc0 n ALA 125 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2kc0 n LYS 126 N 2.96 1.89 -0.40 0.00 4.76 -1.17 -4.82 118.16 121.38 2kc0 n LYS 126 Ca 0.61 -2.26 -0.12 0.00 -2.87 0.00 0.00 58.31 53.67 2kc0 n LYS 126 Cb 0.28 -3.24 -0.01 0.00 -1.84 0.00 0.00 35.03 30.21 2kc0 n LYS 126 CO 0.00 0.00 0.00 2.89 -1.37 0.00 0.00 177.40 178.92 2kc0 n ARG 127 N 7.35 1.12 -3.31 1.97 -4.01 -1.22 -4.20 116.66 114.37 2kc0 n ARG 127 Ca 0.49 -0.98 -0.44 0.00 -1.04 0.00 0.00 57.85 55.88 2kc0 n ARG 127 Cb 0.42 -2.21 -0.08 0.00 -3.04 0.00 0.00 32.46 27.55 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 2kc0 s GLN 128 N 4.02 3.06 -0.14 2.89 -1.52 -0.32 -4.94 119.66 122.71 2kc0 s GLN 128 Ca 0.22 -0.97 -0.05 0.00 -1.95 0.00 0.00 55.36 52.60 2kc0 s GLN 128 Cb 0.06 -4.05 -0.04 0.00 -0.22 0.00 0.00 33.01 28.77 2kc0 s GLN 128 CO -0.02 -0.98 0.03 0.12 -0.25 0.00 0.00 175.29 174.19 2kc0 s PHE 129 N 2.09 3.20 0.05 0.91 5.36 -1.26 -1.82 117.98 126.50 2kc0 s PHE 129 Ca 0.10 0.06 -0.27 0.00 -0.96 0.00 0.00 56.93 55.86 2kc0 s PHE 129 Cb -0.20 -1.95 0.08 0.00 -0.34 0.00 0.00 43.02 40.61 2kc0 s PHE 129 CO 0.11 0.25 0.69 -0.98 -1.46 0.00 0.00 175.22 173.83 2kc0 s ARG 130 N -0.12 1.11 -0.09 10.12 1.04 -1.05 -4.75 118.95 125.21 2kc0 s ARG 130 Ca 0.05 -0.16 0.04 0.00 -1.04 0.00 0.00 55.73 54.63 2kc0 s ARG 130 Cb -0.12 0.51 -0.00 0.00 -2.04 0.00 0.00 34.95 33.30 2kc0 s ARG 130 CO 0.02 -0.43 -0.23 -1.50 -0.04 0.00 0.00 175.30 173.12 2kc0 s ILE 131 N -2.61 1.95 0.00 4.99 2.07 -1.26 -1.00 121.20 125.34 2kc0 s ILE 131 Ca -0.03 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.24 2kc0 s ILE 131 Cb -0.01 -1.69 0.00 0.00 0.13 0.00 0.00 42.46 40.90 2kc0 s ILE 131 CO -0.04 0.54 0.00 0.61 -1.91 0.00 0.00 174.94 174.14 2kc0 n GLY 132 N 3.44 0.66 3.37 1.50 0.00 -0.91 -5.01 105.19 108.23 2kc0 n GLY 132 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 2kc0 n GLY 132 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kc0 s ASP 133 N 0.00 4.14 -0.12 1.61 1.01 -1.23 -4.74 116.67 117.34 2kc0 s ASP 133 Ca 0.00 -0.32 0.02 0.00 0.71 0.00 0.00 52.55 52.96 2kc0 s ASP 133 Cb 0.00 -1.65 0.01 0.00 1.01 0.00 0.00 42.92 42.29 2kc0 s ASP 133 CO 0.00 0.12 -0.18 -0.63 0.21 0.00 0.00 175.17 174.69 2kc0 s ILE 134 N 0.60 1.74 -0.03 0.77 -1.09 -1.26 -1.79 121.20 120.14 2kc0 s ILE 134 Ca -0.06 -0.79 0.05 0.00 -2.23 0.00 0.00 60.65 57.62 2kc0 s ILE 134 Cb -0.15 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 2kc0 s ILE 134 CO 0.03 0.49 -0.19 0.00 -1.23 0.00 0.00 174.94 174.04 2kc0 s ALA 135 N 0.89 1.64 0.00 9.38 0.00 -0.58 -4.87 121.76 128.22 2kc0 s ALA 135 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2kc0 s ALA 135 Cb -0.15 -0.48 0.00 0.00 0.00 0.00 0.00 23.12 22.49 2kc0 s ALA 135 CO -0.01 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.51 2kc0 n GLY 136 N 2.85 1.72 2.37 0.00 0.00 -1.26 -1.90 105.19 108.97 2kc0 n GLY 136 Ca -0.16 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 2kc0 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kc0 n GLU 137 N -0.21 3.98 -3.29 1.61 -0.58 -1.26 -4.87 120.64 116.02 2kc0 n GLU 137 Ca 0.00 -2.68 -0.45 0.00 -0.42 0.00 0.00 57.16 53.61 2kc0 n GLU 137 Cb 0.00 -2.69 -0.06 0.00 -0.57 0.00 0.00 31.44 28.13 2kc0 n GLU 137 CO 0.00 0.00 0.00 -3.38 -0.48 0.00 0.00 177.13 173.27 2kc0 s HIS 138 N 0.68 3.21 0.00 -0.32 -3.43 -1.26 -4.59 115.29 109.57 2kc0 s HIS 138 Ca 0.63 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.75 2kc0 s HIS 138 Cb 0.19 -3.68 0.00 0.00 -1.43 0.00 0.00 32.58 27.66 2kc0 s HIS 138 CO -0.08 -1.01 0.81 -2.37 -2.00 0.00 0.00 174.74 170.09 2kc0 n THR 139 N 5.29 0.00 -2.73 -5.38 5.66 -1.26 -3.03 114.28 112.83 2kc0 n THR 139 Ca -0.13 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.79 2kc0 n THR 139 Cb 0.41 0.45 0.07 0.00 -1.55 0.00 0.00 70.33 69.71 2kc0 n THR 139 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2kc0 n SER 140 N 0.00 -2.51 0.01 1.09 3.41 -1.26 -4.93 113.62 109.43 2kc0 n SER 140 Ca 0.00 -3.39 -0.11 0.00 -0.26 0.00 0.00 58.87 55.11 2kc0 n SER 140 Cb 0.63 1.82 -0.14 0.00 -0.26 0.00 0.00 64.21 66.26 2kc0 n SER 140 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2kc0 h PHE 141 N 3.41 0.11 0.00 7.33 -0.00 -1.94 -3.33 116.94 122.51 2kc0 h PHE 141 Ca -0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 57.97 57.76 2kc0 h PHE 141 Cb 1.08 -0.00 0.00 0.00 -0.00 0.00 0.00 35.95 37.02 2kc0 h PHE 141 CO 0.15 1.12 0.03 -3.47 -0.00 0.00 0.00 178.31 176.15 2kc0 n ASP 142 N -3.20 0.00 0.01 -0.68 2.03 -1.26 -1.63 116.55 111.82 2kc0 n ASP 142 Ca -0.15 0.47 0.11 0.00 0.52 0.00 0.00 54.79 55.75 2kc0 n ASP 142 Cb 1.03 -0.48 0.10 0.00 -0.72 0.00 0.00 41.12 41.05 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 -1.48 0.10 -3.22 -0.67 4.76 -1.25 -4.93 118.16 111.47 2kc0 n LYS 143 Ca -0.00 0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.07 2kc0 n LYS 143 Cb 0.03 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 31.62 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 -3.35 4.47 1.06 -0.35 1.02 -0.65 -5.08 118.68 115.80 2kc0 s LEU 144 Ca 0.08 1.30 -0.12 0.00 0.02 0.00 0.00 54.13 55.41 2kc0 s LEU 144 Cb 0.16 -3.13 0.22 0.00 0.02 0.00 0.00 46.19 43.46 2kc0 s LEU 144 CO 0.77 0.19 1.07 -2.16 0.02 0.00 0.00 176.35 176.24 2kc0 s PRO 145 N -1.42 -0.08 -0.72 1.29 0.04 -1.26 -4.98 135.00 127.87 2kc0 s PRO 145 Ca 0.34 0.76 0.01 0.00 0.04 0.00 0.00 61.00 62.14 2kc0 s PRO 145 Cb -0.19 -1.66 0.37 0.00 0.04 0.00 0.00 34.50 33.06 2kc0 s PRO 145 CO 0.20 -3.13 1.63 0.39 0.04 0.00 0.00 177.00 176.13 2kc0 n GLU 146 N -4.49 3.33 -1.72 4.56 1.02 -1.26 -4.71 120.64 117.36 2kc0 n GLU 146 Ca 0.05 -4.08 -0.21 0.00 -0.02 0.00 0.00 57.16 52.90 2kc0 n GLU 146 Cb 0.55 -2.28 0.14 0.00 -0.02 0.00 0.00 31.44 29.83 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kc0 n GLY 147 N -0.44 -0.69 0.00 0.62 0.00 -1.26 -4.32 105.19 99.09 2kc0 n GLY 147 Ca 0.47 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.68 2kc0 n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kc0 n GLY 148 N -1.55 -1.82 3.13 -0.02 0.00 -1.26 0.03 105.19 103.70 2kc0 n GLY 148 Ca 0.13 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 0.62 0.04 1.61 3.03 -1.26 -0.52 118.95 122.47 2kc0 s ARG 149 Ca 0.00 -0.77 0.06 0.00 2.03 0.00 0.00 55.73 57.04 2kc0 s ARG 149 Cb 0.00 0.24 -0.02 0.00 -1.03 0.00 0.00 34.95 34.14 2kc0 s ARG 149 CO 0.00 -0.16 -0.16 0.00 -1.13 0.00 0.00 175.30 173.85 2kc0 s ALA 150 N -2.74 1.36 0.22 7.88 0.00 -0.23 -4.93 121.76 123.33 2kc0 s ALA 150 Ca -0.04 -0.91 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 2kc0 s ALA 150 Cb -0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 23.12 22.81 2kc0 s ALA 150 CO -0.05 0.27 0.63 0.99 0.00 0.00 0.00 175.76 177.60 2kc0 s THR 151 N -0.85 4.77 0.10 0.00 2.01 -1.26 -1.60 115.64 118.82 2kc0 s THR 151 Ca 0.03 0.87 -0.10 0.00 0.31 0.00 0.00 61.69 62.80 2kc0 s THR 151 Cb -0.08 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.73 2kc0 s THR 151 CO 0.02 0.07 0.25 -0.31 -0.69 0.00 0.00 174.62 173.96 2kc0 s TYR 152 N -1.67 0.09 -0.11 4.92 2.02 -0.33 -4.90 117.35 117.37 2kc0 s TYR 152 Ca 0.45 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.54 2kc0 s TYR 152 Cb -0.13 0.02 0.03 0.00 -0.40 0.00 0.00 41.96 41.47 2kc0 s TYR 152 CO 0.20 -0.60 0.32 0.50 -1.57 0.00 0.00 175.55 174.39 2kc0 s ARG 153 N -3.86 0.40 0.26 -0.62 6.06 -1.26 -1.08 118.95 118.85 2kc0 s ARG 153 Ca 0.06 0.39 -0.16 0.00 -2.50 0.00 0.00 55.73 53.51 2kc0 s ARG 153 Cb 0.04 0.19 0.01 0.00 0.06 0.00 0.00 34.95 35.25 2kc0 s ARG 153 CO -0.10 -0.06 0.58 0.20 -2.50 0.00 0.00 175.30 173.43 2kc0 s GLY 154 N 0.04 0.27 -0.06 8.12 0.00 -0.52 -3.81 107.32 111.36 2kc0 s GLY 154 Ca -0.01 -0.64 -0.11 0.00 0.00 0.00 0.00 44.72 43.96 2kc0 s GLY 154 CO 0.01 -0.40 0.28 -1.59 0.00 0.00 0.00 173.10 171.40 2kc0 s THR 155 N -3.95 5.26 0.11 0.90 2.01 -0.16 -2.59 115.64 117.22 2kc0 s THR 155 Ca 0.18 0.54 0.07 0.00 0.31 0.00 0.00 61.69 62.78 2kc0 s THR 155 Cb -0.03 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 2kc0 s THR 155 CO 0.08 0.60 -0.09 0.00 -0.69 0.00 0.00 174.62 174.53 2kc0 s ALA 156 N -1.06 3.00 -0.16 7.40 0.00 -1.24 -3.00 121.76 126.70 2kc0 s ALA 156 Ca 0.20 -1.25 -0.07 0.00 0.00 0.00 0.00 51.96 50.83 2kc0 s ALA 156 Cb -0.14 -0.92 0.07 0.00 0.00 0.00 0.00 23.12 22.13 2kc0 s ALA 156 CO 0.09 0.63 0.35 -0.59 0.00 0.00 0.00 175.76 176.24 2kc0 s PHE 157 N -1.28 -0.59 0.21 0.00 -0.71 -1.11 -4.70 117.98 109.80 2kc0 s PHE 157 Ca 0.22 1.23 -0.08 0.00 -1.04 0.00 0.00 56.93 57.26 2kc0 s PHE 157 Cb -0.11 0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.86 2kc0 s PHE 157 CO 0.15 -0.38 0.31 0.20 -1.34 0.00 0.00 175.22 174.15 2kc0 s GLY 158 N 2.07 0.85 -1.05 1.99 0.00 -1.21 -0.68 107.32 109.28 2kc0 s GLY 158 Ca -0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 2kc0 s GLY 158 CO -0.11 -0.95 2.29 1.44 0.00 0.00 0.00 173.10 175.76 2kc0 n SER 159 N -0.30 7.56 0.00 1.64 7.64 -1.25 -3.67 113.62 125.24 2kc0 n SER 159 Ca -0.02 -3.35 0.00 0.00 1.01 0.00 0.00 58.87 56.51 2kc0 n SER 159 Cb 0.64 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2kc0 n ASP 160 N 0.93 0.00 -0.92 6.43 5.68 -1.26 -5.00 116.55 122.40 2kc0 n ASP 160 Ca 0.55 0.00 -0.06 0.00 -0.50 0.00 0.00 54.79 54.79 2kc0 n ASP 160 Cb 0.30 0.09 -0.06 0.00 -1.14 0.00 0.00 41.12 40.32 2kc0 n ASP 160 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2kc0 n ASP 161 N -2.00 -0.85 0.00 -1.12 2.03 -1.26 -4.98 116.55 108.38 2kc0 n ASP 161 Ca 0.00 -1.71 0.00 0.00 0.52 0.00 0.00 54.79 53.60 2kc0 n ASP 161 Cb 0.00 0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.66 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 0.00 0.00 -1.67 0.00 -1.24 -4.55 120.51 113.05 2kc0 n ALA 162 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2kc0 n ALA 162 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 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 -0.97 0.63 0.00 0.00 0.00 -1.26 -2.74 105.19 100.85 2kc0 n GLY 163 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.00 -1.16 3.39 -0.02 0.00 -1.26 -4.99 105.19 99.14 2kc0 n GLY 164 Ca 0.00 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 1.51 0.12 1.61 3.01 -1.26 -3.72 119.74 121.01 2kc0 s LYS 165 Ca 0.00 -1.29 0.10 0.00 -1.01 0.00 0.00 55.97 53.77 2kc0 s LYS 165 Cb 0.00 -1.93 -0.04 0.00 -1.01 0.00 0.00 37.83 34.85 2kc0 s LYS 165 CO 0.00 0.47 -0.24 -0.48 0.51 0.00 0.00 175.35 175.61 2kc0 s LEU 166 N -1.89 2.32 0.02 3.17 -0.00 -1.07 -2.48 118.68 118.75 2kc0 s LEU 166 Ca 0.14 -0.73 0.03 0.00 -0.00 0.00 0.00 54.13 53.56 2kc0 s LEU 166 Cb -0.10 -1.04 -0.04 0.00 -0.00 0.00 0.00 46.19 45.01 2kc0 s LEU 166 CO 0.05 0.11 -0.03 -0.89 -0.00 0.00 0.00 176.35 175.60 2kc0 s THR 167 N -1.18 3.94 0.07 5.48 2.01 -0.01 -1.44 115.64 124.51 2kc0 s THR 167 Ca 0.11 -0.73 0.05 0.00 0.31 0.00 0.00 61.69 61.43 2kc0 s THR 167 Cb -0.10 -2.76 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 2kc0 s THR 167 CO 0.05 0.34 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.71 2kc0 s TYR 168 N -1.09 1.25 -0.20 4.92 6.14 -0.24 -1.13 117.35 127.01 2kc0 s TYR 168 Ca 0.20 -0.45 -0.08 0.00 0.64 0.00 0.00 57.07 57.37 2kc0 s TYR 168 Cb -0.11 -0.70 0.08 0.00 0.42 0.00 0.00 41.96 41.64 2kc0 s TYR 168 CO 0.10 0.06 0.43 0.99 0.64 0.00 0.00 175.55 177.78 2kc0 s THR 169 N -1.24 -0.42 -0.09 4.34 2.01 -0.42 -1.19 115.64 118.62 2kc0 s THR 169 Ca -0.01 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.10 2kc0 s THR 169 Cb -0.10 -0.67 0.03 0.00 0.01 0.00 0.00 72.50 71.77 2kc0 s THR 169 CO 0.02 0.05 0.02 -0.51 -0.69 0.00 0.00 174.62 173.52 2kc0 s ILE 170 N 2.18 0.27 -0.19 1.82 2.07 -0.63 -0.20 121.20 126.53 2kc0 s ILE 170 Ca -0.05 0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 58.98 2kc0 s ILE 170 Cb -0.10 -0.52 -0.03 0.00 0.13 0.00 0.00 42.46 41.93 2kc0 s ILE 170 CO -0.13 0.16 1.63 -1.81 -1.91 0.00 0.00 174.94 172.87 2kc0 s ASP 171 N 2.01 6.43 0.42 4.50 1.11 -0.61 -1.06 116.67 129.47 2kc0 s ASP 171 Ca 0.04 1.75 0.22 0.00 0.18 0.00 0.00 52.55 54.75 2kc0 s ASP 171 Cb -0.13 -2.53 0.40 0.00 1.07 0.00 0.00 42.92 41.73 2kc0 s ASP 171 CO -0.05 -1.19 1.62 -0.26 1.18 0.00 0.00 175.17 176.46 2kc0 h PHE 172 N 10.51 0.00 0.00 4.23 -1.00 -0.65 -0.77 116.94 129.27 2kc0 h PHE 172 Ca -0.35 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.29 2kc0 h PHE 172 Cb 1.16 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.70 2kc0 h PHE 172 CO 0.90 0.11 -0.77 0.00 -1.61 0.00 0.00 178.31 176.94 2kc0 h ALA 173 N 1.89 0.16 -0.00 2.45 0.00 -0.50 -3.37 119.26 119.88 2kc0 h ALA 173 Ca -0.00 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 53.98 2kc0 h ALA 173 Cb 1.02 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2kc0 h ALA 173 CO 0.01 0.44 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 2kc0 n ALA 174 N -3.12 2.69 -2.96 0.00 0.00 -1.25 -4.95 120.51 110.91 2kc0 n ALA 174 Ca -0.23 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 2kc0 n ALA 174 Cb 0.59 -1.38 0.02 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.95 -3.91 -3.77 0.00 4.76 -0.34 -4.91 118.16 109.04 2kc0 n LYS 175 Ca 0.16 0.80 -0.37 0.00 -2.87 0.00 0.00 58.31 56.03 2kc0 n LYS 175 Cb 0.25 -5.58 -0.13 0.00 -1.84 0.00 0.00 35.03 27.73 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2kc0 s GLN 176 N -5.62 2.77 -0.32 1.97 -0.21 -0.92 -3.36 119.66 113.97 2kc0 s GLN 176 Ca 0.26 -1.07 -0.16 0.00 0.02 0.00 0.00 55.36 54.41 2kc0 s GLN 176 Cb -0.12 -3.39 -0.02 0.00 1.00 0.00 0.00 33.01 30.48 2kc0 s GLN 176 CO 0.32 -0.58 0.40 0.20 -2.12 0.00 0.00 175.29 173.51 2kc0 s GLY 177 N 1.42 1.88 0.54 3.09 0.00 0.64 -1.57 107.32 113.31 2kc0 s GLY 177 Ca -0.00 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 43.70 2kc0 s GLY 177 CO 0.02 1.06 0.20 0.21 0.00 0.00 0.00 173.10 174.59 2kc0 s ASN 178 N 1.71 4.38 0.01 1.64 3.04 0.72 -1.54 114.94 124.89 2kc0 s ASN 178 Ca 0.14 -1.49 -0.02 0.00 0.04 0.00 0.00 52.86 51.53 2kc0 s ASN 178 Cb -0.16 0.57 0.01 0.00 -1.54 0.00 0.00 41.25 40.13 2kc0 s ASN 178 CO 0.12 -1.03 0.10 0.61 -3.04 0.00 0.00 177.10 173.86 2kc0 n GLY 179 N -1.55 0.86 3.56 1.21 0.00 -1.26 -1.31 105.19 106.70 2kc0 n GLY 179 Ca -0.12 -0.89 -0.08 0.00 0.00 0.00 0.00 46.02 44.93 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N -2.00 0.60 0.16 1.61 -2.85 -0.28 -3.80 119.74 113.18 2kc0 s LYS 180 Ca 0.02 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 54.76 2kc0 s LYS 180 Cb -0.00 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.97 2kc0 s LYS 180 CO 0.00 -0.23 0.62 0.42 0.10 0.00 0.00 175.35 176.27 2kc0 s ILE 181 N -2.03 4.71 -0.29 3.79 -1.09 -0.96 -0.83 121.20 124.50 2kc0 s ILE 181 Ca 0.03 1.09 -0.00 0.00 -2.23 0.00 0.00 60.65 59.54 2kc0 s ILE 181 Cb -0.01 -3.82 0.18 0.00 -1.58 0.00 0.00 42.46 37.24 2kc0 s ILE 181 CO -0.04 0.29 0.57 -0.70 -1.23 0.00 0.00 174.94 173.83 2kc0 s GLU 182 N -1.80 0.54 0.00 2.79 2.12 -1.04 -4.31 118.70 117.00 2kc0 s GLU 182 Ca 0.38 0.87 0.00 0.00 0.36 0.00 0.00 54.97 56.58 2kc0 s GLU 182 Cb -0.17 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.60 2kc0 s GLU 182 CO 0.20 -0.69 0.00 1.58 -0.54 0.00 0.00 175.26 175.81 2kc0 n HIS 183 N 5.42 0.00 -2.82 5.30 -0.00 -1.26 -4.51 115.22 117.35 2kc0 n HIS 183 Ca -0.00 0.00 -0.28 0.00 0.46 0.00 0.00 57.72 57.90 2kc0 n HIS 183 Cb 0.51 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.37 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 3.75 0.52 0.27 2.01 -1.26 -4.94 118.68 119.03 2kc0 s LEU 184 Ca 0.00 0.92 0.19 0.00 0.01 0.00 0.00 54.13 55.25 2kc0 s LEU 184 Cb 0.00 -3.84 1.31 0.00 0.01 0.00 0.00 46.19 43.68 2kc0 s LEU 184 CO 0.00 -0.47 2.11 0.07 1.01 0.00 0.00 176.35 179.06 2kc0 h LYS 185 N 0.66 0.00 -6.07 1.70 2.10 -2.02 -3.42 116.57 109.52 2kc0 h LYS 185 Ca -0.47 0.00 -0.58 0.00 -2.00 0.00 0.00 60.65 57.60 2kc0 h LYS 185 Cb 1.20 0.00 -0.26 0.00 -0.90 0.00 0.00 32.23 32.27 2kc0 h LYS 185 CO 0.63 0.00 -0.84 -1.12 -2.00 0.00 0.00 179.45 176.11 2kc0 s SER 186 N -6.82 2.46 0.30 7.07 0.01 -1.26 -5.06 113.70 110.40 2kc0 s SER 186 Ca -0.05 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 2kc0 s SER 186 Cb 0.18 -0.21 0.47 0.00 0.21 0.00 0.00 66.02 66.66 2kc0 s SER 186 CO 0.69 0.17 1.92 1.55 0.41 0.00 0.00 173.24 177.98 2kc0 h PRO 187 N 4.96 0.93 -0.09 12.44 0.13 -1.97 -2.08 132.00 146.33 2kc0 h PRO 187 Ca -0.42 -0.11 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 2kc0 h PRO 187 Cb 1.16 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.10 2kc0 h PRO 187 CO 0.44 0.70 0.14 1.49 -0.23 0.00 0.00 178.00 180.54 2kc0 h GLU 188 N 0.93 0.00 0.00 0.86 4.81 -1.97 -2.72 114.58 116.49 2kc0 h GLU 188 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2kc0 h GLU 188 Cb 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kc0 h GLU 188 CO -0.04 0.00 -0.55 -0.07 -0.73 0.00 0.00 179.01 177.62 2kc0 h LEU 189 N 0.00 0.00 -8.82 1.64 3.38 -1.76 -3.43 115.31 106.32 2kc0 h LEU 189 Ca 0.04 -0.02 -0.60 0.00 0.09 0.00 0.00 57.88 57.40 2kc0 h LEU 189 Cb 0.33 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 40.98 2kc0 h LEU 189 CO -0.00 0.01 0.57 0.20 0.09 0.00 0.00 178.44 179.31 2kc0 s ASN 190 N -5.57 6.65 0.23 -0.43 0.01 -1.03 -4.95 114.94 109.84 2kc0 s ASN 190 Ca 0.03 0.51 0.05 0.00 -0.71 0.00 0.00 52.86 52.75 2kc0 s ASN 190 Cb 0.08 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 39.25 2kc0 s ASN 190 CO 0.73 -0.86 0.27 0.68 -1.51 0.00 0.00 177.10 176.41 2kc0 s VAL 191 N 3.46 4.91 0.32 1.60 -7.23 -1.26 -4.90 120.40 117.31 2kc0 s VAL 191 Ca 0.37 -1.11 -0.27 0.00 -1.81 0.00 0.00 61.98 59.16 2kc0 s VAL 191 Cb -0.12 -3.63 -0.09 0.00 0.56 0.00 0.00 36.38 33.09 2kc0 s VAL 191 CO 0.19 -0.29 1.02 -1.81 -0.31 0.00 0.00 175.10 173.90 2kc0 s ASP 192 N -3.77 7.19 -0.15 4.85 1.11 -1.26 -2.28 116.67 122.36 2kc0 s ASP 192 Ca 0.33 2.03 -0.03 0.00 0.18 0.00 0.00 52.55 55.07 2kc0 s ASP 192 Cb -0.09 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.27 2kc0 s ASP 192 CO 0.27 -0.19 -0.04 -0.22 1.18 0.00 0.00 175.17 176.17 2kc0 s LEU 193 N -1.94 3.24 -0.35 1.23 0.20 -1.25 -3.31 118.68 116.50 2kc0 s LEU 193 Ca 0.50 -0.12 -0.29 0.00 0.69 0.00 0.00 54.13 54.91 2kc0 s LEU 193 Cb -0.24 -1.77 0.01 0.00 -0.43 0.00 0.00 46.19 43.76 2kc0 s LEU 193 CO 0.31 0.19 1.25 0.00 -0.29 0.00 0.00 176.35 177.80 2kc0 s ALA 194 N 0.24 3.31 0.16 5.97 0.00 -0.31 -4.32 121.76 126.80 2kc0 s ALA 194 Ca -0.03 -0.07 -0.34 0.00 0.00 0.00 0.00 51.96 51.53 2kc0 s ALA 194 Cb -0.14 -3.80 -0.15 0.00 0.00 0.00 0.00 23.12 19.03 2kc0 s ALA 194 CO 0.03 -1.89 1.41 0.00 0.00 0.00 0.00 175.76 175.30 2kc0 n ALA 195 N 7.69 0.31 -3.03 0.00 0.00 -1.26 -4.08 120.51 120.15 2kc0 n ALA 195 Ca 0.14 0.46 -0.10 0.00 0.00 0.00 0.00 53.44 53.94 2kc0 n ALA 195 Cb 0.47 -2.21 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 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 0.40 -0.06 0.68 0.00 0.00 -0.59 -4.96 121.76 117.23 2kc0 s ALA 196 Ca 0.77 -0.39 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 2kc0 s ALA 196 Cb -0.78 0.13 0.09 0.00 0.00 0.00 0.00 23.12 22.56 2kc0 s ALA 196 CO 0.45 -0.17 0.95 0.16 0.00 0.00 0.00 175.76 177.15 2kc0 s ASP 197 N -1.39 4.64 0.27 0.00 1.47 -1.26 -0.26 116.67 120.14 2kc0 s ASP 197 Ca -0.15 -0.05 -0.22 0.00 1.18 0.00 0.00 52.55 53.31 2kc0 s ASP 197 Cb -0.09 -0.51 -0.09 0.00 -0.34 0.00 0.00 42.92 41.89 2kc0 s ASP 197 CO 0.00 -1.65 0.81 0.27 0.68 0.00 0.00 175.17 175.29 2kc0 s ILE 198 N -3.10 4.43 0.21 2.11 -4.36 -1.21 -3.24 121.20 116.04 2kc0 s ILE 198 Ca 0.63 1.49 0.02 0.00 -0.26 0.00 0.00 60.65 62.53 2kc0 s ILE 198 Cb -0.08 -3.91 -0.04 0.00 1.25 0.00 0.00 42.46 39.69 2kc0 s ILE 198 CO 0.43 0.16 0.36 -0.54 0.24 0.00 0.00 174.94 175.60 2kc0 s LYS 199 N -2.05 3.47 0.00 0.37 1.02 -0.42 -4.98 119.74 117.15 2kc0 s LYS 199 Ca 0.46 -0.55 0.25 0.00 0.02 0.00 0.00 55.97 56.15 2kc0 s LYS 199 Cb -0.17 -2.88 1.30 0.00 -0.52 0.00 0.00 37.83 35.56 2kc0 s LYS 199 CO 0.22 0.43 1.84 -0.35 -0.92 0.00 0.00 175.35 176.56 2kc0 n PRO 200 N -0.95 0.43 -1.70 -1.68 -0.04 -1.26 -3.82 135.00 125.98 2kc0 n PRO 200 Ca -0.07 0.04 -0.44 0.00 -0.04 0.00 0.00 63.50 63.00 2kc0 n PRO 200 Cb 0.55 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.48 2kc0 n PRO 200 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kc0 n ASP 201 N -1.24 3.52 -3.65 3.54 9.92 -1.26 -4.97 116.55 122.41 2kc0 n ASP 201 Ca 0.13 1.09 -0.03 0.00 -0.53 0.00 0.00 54.79 55.45 2kc0 n ASP 201 Cb 0.18 -1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 39.09 2kc0 n ASP 201 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2kc0 s GLY 202 N 0.89 0.30 -0.01 0.44 0.00 -1.26 -3.77 107.32 103.91 2kc0 s GLY 202 Ca 0.74 3.38 0.18 0.00 0.00 0.00 0.00 44.72 49.01 2kc0 s GLY 202 CO 0.38 1.74 0.65 0.58 0.00 0.00 0.00 173.10 176.45 2kc0 n LYS 203 N 1.31 1.02 0.00 2.90 2.85 -1.26 -4.86 118.16 120.12 2kc0 n LYS 203 Ca -0.08 -0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 2kc0 n LYS 203 Cb 0.57 -1.36 0.00 0.00 -0.65 0.00 0.00 35.03 33.60 2kc0 n LYS 203 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 2kc0 n ARG 204 N -1.61 0.00 -4.55 -1.58 1.85 -1.26 -5.14 116.66 104.37 2kc0 n ARG 204 Ca 0.01 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.61 2kc0 n ARG 204 Cb 0.33 0.00 -0.11 0.00 -1.05 0.00 0.00 32.46 31.63 2kc0 n ARG 204 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2kc0 s HIS 205 N -0.99 2.30 0.00 2.89 -3.43 -1.17 -4.22 115.29 110.67 2kc0 s HIS 205 Ca 0.00 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 2kc0 s HIS 205 Cb 0.00 -1.53 0.00 0.00 -1.43 0.00 0.00 32.58 29.62 2kc0 s HIS 205 CO 0.00 0.34 0.00 0.00 -2.00 0.00 0.00 174.74 173.08 2kc0 n ALA 206 N -0.83 0.00 -3.20 -1.38 0.00 -1.26 -4.22 120.51 109.61 2kc0 n ALA 206 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.27 2kc0 n ALA 206 Cb 0.66 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.01 2kc0 n ALA 206 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2kc0 s VAL 207 N -0.08 0.04 -0.22 0.00 1.01 -1.25 -4.73 120.40 115.17 2kc0 s VAL 207 Ca 0.00 -0.35 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2kc0 s VAL 207 Cb 0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2kc0 s VAL 207 CO 0.00 -0.19 0.36 -0.63 0.00 0.00 0.00 175.10 174.64 2kc0 s ILE 208 N -0.85 5.22 -0.33 2.22 -1.09 0.24 -1.30 121.20 125.30 2kc0 s ILE 208 Ca -0.09 0.62 0.03 0.00 -2.23 0.00 0.00 60.65 58.97 2kc0 s ILE 208 Cb -0.05 -3.69 0.10 0.00 -1.58 0.00 0.00 42.46 37.24 2kc0 s ILE 208 CO 0.03 0.25 0.06 -0.55 -1.23 0.00 0.00 174.94 173.50 2kc0 s SER 209 N 1.12 4.64 0.34 3.58 0.15 -1.20 -3.14 113.70 119.19 2kc0 s SER 209 Ca 0.17 -2.07 0.07 0.00 0.70 0.00 0.00 55.95 54.82 2kc0 s SER 209 Cb -0.15 -1.50 -0.03 0.00 -1.71 0.00 0.00 66.02 62.64 2kc0 s SER 209 CO 0.08 -0.39 0.26 0.61 1.20 0.00 0.00 173.24 175.00 2kc0 n GLY 210 N 4.35 2.97 3.51 9.45 0.00 -1.08 -4.70 105.19 119.70 2kc0 n GLY 210 Ca 0.03 -1.93 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2kc0 n GLY 210 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 211 N -3.35 3.81 -0.11 1.61 1.04 -1.26 -1.13 113.70 114.32 2kc0 s SER 211 Ca 0.36 -0.96 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 2kc0 s SER 211 Cb 0.02 -0.42 0.04 0.00 0.10 0.00 0.00 66.02 65.76 2kc0 s SER 211 CO 0.26 0.01 0.02 -0.69 0.98 0.00 0.00 173.24 173.82 2kc0 s VAL 212 N -2.48 0.36 -0.41 5.02 1.01 -1.26 -1.16 120.40 121.48 2kc0 s VAL 212 Ca 0.31 -0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 2kc0 s VAL 212 Cb -0.05 -0.66 0.08 0.00 0.00 0.00 0.00 36.38 35.75 2kc0 s VAL 212 CO 0.16 0.08 0.23 -0.22 0.00 0.00 0.00 175.10 175.35 2kc0 s LEU 213 N 1.96 5.07 -0.31 3.92 0.20 -1.21 -3.22 118.68 125.10 2kc0 s LEU 213 Ca 0.03 -1.55 -0.18 0.00 0.69 0.00 0.00 54.13 53.12 2kc0 s LEU 213 Cb -0.14 -1.95 -0.01 0.00 -0.43 0.00 0.00 46.19 43.66 2kc0 s LEU 213 CO -0.06 -0.52 0.53 -0.47 -0.29 0.00 0.00 176.35 175.54 2kc0 s TYR 214 N 1.38 3.22 -1.29 5.38 6.14 -0.74 -3.52 117.35 127.91 2kc0 s TYR 214 Ca 0.03 0.43 -0.04 0.00 0.64 0.00 0.00 57.07 58.13 2kc0 s TYR 214 Cb -0.23 -2.85 0.03 0.00 0.42 0.00 0.00 41.96 39.33 2kc0 s TYR 214 CO 0.01 -0.42 0.29 -1.71 0.64 0.00 0.00 175.55 174.36 2kc0 n ASN 215 N 5.69 -4.44 -4.04 4.32 5.15 -1.26 -0.71 115.26 119.97 2kc0 n ASN 215 Ca -0.04 -0.12 -0.32 0.00 -0.60 0.00 0.00 54.58 53.51 2kc0 n ASN 215 Cb 0.49 -3.69 -0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 -3.38 -4.29 0.13 1.20 1.13 -1.23 -4.80 117.38 106.13 2kc0 n GLN 216 Ca -0.10 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.44 2kc0 n GLN 216 Cb 0.60 -5.21 0.00 0.00 0.11 0.00 0.00 30.24 25.74 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 -4.51 2.50 -1.80 -1.58 0.00 0.08 -5.14 120.51 110.06 2kc0 n ALA 217 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2kc0 n ALA 217 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 2kc0 n ALA 217 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2kc0 s GLU 218 N -1.75 4.07 -0.75 0.00 2.56 0.11 -4.73 118.70 118.21 2kc0 s GLU 218 Ca 0.00 1.31 0.03 0.00 0.00 0.00 0.00 54.97 56.32 2kc0 s GLU 218 Cb 0.00 -2.26 0.19 0.00 2.00 0.00 0.00 34.13 34.06 2kc0 s GLU 218 CO 0.00 -0.19 0.60 1.63 -0.56 0.00 0.00 175.26 176.74 2kc0 n LYS 219 N -0.57 2.13 0.00 4.30 5.02 -1.26 -1.80 118.16 125.99 2kc0 n LYS 219 Ca 0.07 -4.51 0.00 0.00 -2.02 0.00 0.00 58.31 51.85 2kc0 n LYS 219 Cb 0.52 -2.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.21 2kc0 n LYS 219 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kc0 n GLY 220 N 1.92 0.61 3.34 0.72 0.00 -1.20 -4.41 105.19 106.17 2kc0 n GLY 220 Ca 0.21 -1.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.00 -0.15 0.04 1.61 0.01 0.47 -4.09 113.70 110.59 2kc0 s SER 221 Ca 0.00 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 56.81 2kc0 s SER 221 Cb 0.00 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2kc0 s SER 221 CO 0.00 -0.88 -0.06 -0.72 0.41 0.00 0.00 173.24 171.99 2kc0 s TYR 222 N -3.85 0.58 -0.03 2.43 1.13 -0.28 -0.78 117.35 116.56 2kc0 s TYR 222 Ca 0.06 -0.56 -0.01 0.00 -1.41 0.00 0.00 57.07 55.16 2kc0 s TYR 222 Cb 0.02 -0.36 0.03 0.00 -1.10 0.00 0.00 41.96 40.55 2kc0 s TYR 222 CO -0.09 -0.13 0.04 -1.54 -2.51 0.00 0.00 175.55 171.33 2kc0 s SER 223 N -1.71 0.57 0.22 -0.18 1.04 0.20 -2.64 113.70 111.19 2kc0 s SER 223 Ca -0.09 0.04 -0.01 0.00 0.48 0.00 0.00 55.95 56.37 2kc0 s SER 223 Cb -0.08 -0.13 -0.04 0.00 0.10 0.00 0.00 66.02 65.87 2kc0 s SER 223 CO -0.01 -0.17 0.16 -0.76 0.98 0.00 0.00 173.24 173.44 2kc0 s LEU 224 N 1.51 1.18 0.29 2.42 1.02 -1.19 -0.87 118.68 123.06 2kc0 s LEU 224 Ca -0.03 -1.41 0.03 0.00 0.02 0.00 0.00 54.13 52.73 2kc0 s LEU 224 Cb -0.13 0.46 -0.03 0.00 0.02 0.00 0.00 46.19 46.51 2kc0 s LEU 224 CO -0.03 -0.88 0.27 -0.83 0.02 0.00 0.00 176.35 174.90 2kc0 s GLY 225 N -3.18 1.90 -0.16 -3.19 0.00 -0.89 -0.59 107.32 101.21 2kc0 s GLY 225 Ca 0.39 -1.85 -0.24 0.00 0.00 0.00 0.00 44.72 43.02 2kc0 s GLY 225 CO 0.14 -1.36 0.76 -0.42 0.00 0.00 0.00 173.10 172.22 2kc0 s ILE 226 N -3.61 4.94 -0.00 0.90 -1.09 -1.26 -3.29 121.20 117.78 2kc0 s ILE 226 Ca 0.38 1.48 0.06 0.00 -2.23 0.00 0.00 60.65 60.34 2kc0 s ILE 226 Cb 0.03 -4.07 -0.03 0.00 -1.58 0.00 0.00 42.46 36.81 2kc0 s ILE 226 CO 0.22 0.09 -0.17 -0.36 -1.23 0.00 0.00 174.94 173.49 2kc0 s PHE 227 N 1.86 2.61 0.02 3.97 0.40 0.21 -4.79 117.98 122.26 2kc0 s PHE 227 Ca 0.36 -0.22 0.00 0.00 -0.60 0.00 0.00 56.93 56.46 2kc0 s PHE 227 Cb -0.17 -1.54 0.00 0.00 0.51 0.00 0.00 43.02 41.82 2kc0 s PHE 227 CO 0.13 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.66 2kc0 n GLY 228 N 1.94 -3.74 0.08 4.36 0.00 -1.26 -2.07 105.19 104.49 2kc0 n GLY 228 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 0.25 -0.06 0.97 -0.02 0.00 -1.26 -1.16 105.19 103.92 2kc0 n GLY 229 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.35 0.06 -2.50 1.61 4.81 -1.26 -4.88 118.16 115.65 2kc0 n LYS 230 Ca 0.00 -1.56 -0.05 0.00 -0.87 0.00 0.00 58.31 55.83 2kc0 n LYS 230 Cb 0.00 -0.30 -0.04 0.00 0.02 0.00 0.00 35.03 34.71 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kc0 n ALA 231 N 0.19 -3.59 0.00 3.14 0.00 -0.30 -5.07 120.51 114.88 2kc0 n ALA 231 Ca 0.04 2.22 0.00 0.00 0.00 0.00 0.00 53.44 55.69 2kc0 n ALA 231 Cb 0.91 -4.36 0.00 0.00 0.00 0.00 0.00 19.45 16.01 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kc0 n GLN 232 N 1.61 0.00 -3.79 0.00 1.13 -0.98 -4.99 117.38 110.36 2kc0 n GLN 232 Ca -0.38 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.58 2kc0 n GLN 232 Cb 0.59 -0.93 -0.04 0.00 0.11 0.00 0.00 30.24 29.96 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 -1.95 1.36 -0.02 -1.09 -1.05 -0.88 -0.70 118.70 114.36 2kc0 s GLU 233 Ca 0.00 -0.94 -0.07 0.00 -0.15 0.00 0.00 54.97 53.81 2kc0 s GLU 233 Cb 0.00 0.50 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 2kc0 s GLU 233 CO 0.00 -0.57 0.16 0.14 0.95 0.00 0.00 175.26 175.94 2kc0 s VAL 234 N -3.90 0.05 0.06 1.83 -7.23 -0.55 -0.62 120.40 110.03 2kc0 s VAL 234 Ca 0.11 -0.44 -0.26 0.00 -1.81 0.00 0.00 61.98 59.58 2kc0 s VAL 234 Cb -0.00 -0.37 0.09 0.00 0.56 0.00 0.00 36.38 36.65 2kc0 s VAL 234 CO -0.01 -0.24 0.75 0.00 -0.31 0.00 0.00 175.10 175.29 2kc0 s ALA 235 N -0.85 -1.73 0.00 1.32 0.00 -1.21 -2.11 121.76 117.18 2kc0 s ALA 235 Ca -0.09 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2kc0 s ALA 235 Cb -0.05 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.60 2kc0 s ALA 235 CO 0.01 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.50 2kc0 n GLY 236 N -0.17 -0.51 3.42 0.00 0.00 -1.21 -2.11 105.19 104.62 2kc0 n GLY 236 Ca -0.13 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 2kc0 n GLY 236 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kc0 s SER 237 N -4.00 -0.46 0.06 1.61 0.15 -0.05 -2.03 113.70 108.98 2kc0 s SER 237 Ca 0.00 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.58 2kc0 s SER 237 Cb 0.00 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 2kc0 s SER 237 CO 0.00 -0.96 -0.17 0.00 1.20 0.00 0.00 173.24 173.30 2kc0 s ALA 238 N -3.78 1.45 0.01 5.45 0.00 0.04 -0.63 121.76 124.30 2kc0 s ALA 238 Ca 0.02 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.04 2kc0 s ALA 238 Cb -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.88 2kc0 s ALA 238 CO -0.11 0.28 -0.17 -1.21 0.00 0.00 0.00 175.76 174.55 2kc0 s GLU 239 N -1.41 1.28 -0.06 0.00 8.01 0.04 -0.31 118.70 126.26 2kc0 s GLU 239 Ca 0.03 -0.74 -0.02 0.00 0.01 0.00 0.00 54.97 54.25 2kc0 s GLU 239 Cb -0.09 -1.29 0.04 0.00 -4.31 0.00 0.00 34.13 28.47 2kc0 s GLU 239 CO 0.02 0.34 0.13 0.54 0.01 0.00 0.00 175.26 176.30 2kc0 s VAL 240 N -0.61 -0.09 -0.74 2.63 0.11 -0.17 -0.39 120.40 121.15 2kc0 s VAL 240 Ca 0.06 0.22 -0.17 0.00 -2.93 0.00 0.00 61.98 59.16 2kc0 s VAL 240 Cb -0.07 -0.22 0.15 0.00 -1.53 0.00 0.00 36.38 34.70 2kc0 s VAL 240 CO 0.00 0.09 0.81 -1.59 -3.33 0.00 0.00 175.10 171.09 2kc0 s LYS 241 N 1.36 3.34 0.75 1.54 0.00 -1.26 -0.31 119.74 125.16 2kc0 s LYS 241 Ca -0.07 -1.78 -0.07 0.00 0.00 0.00 0.00 55.97 54.06 2kc0 s LYS 241 Cb -0.12 -4.47 0.10 0.00 0.00 0.00 0.00 37.83 33.34 2kc0 s LYS 241 CO -0.05 -1.51 1.06 0.95 0.00 0.00 0.00 175.35 175.79 2kc0 s THR 242 N 1.90 2.21 0.50 3.79 -4.23 -0.37 -4.60 115.64 114.84 2kc0 s THR 242 Ca 0.18 -0.31 0.19 0.00 -1.18 0.00 0.00 61.69 60.57 2kc0 s THR 242 Cb -0.16 -2.90 0.34 0.00 1.34 0.00 0.00 72.50 71.12 2kc0 s THR 242 CO -0.02 0.00 2.04 1.62 -0.54 0.00 0.00 174.62 177.72 2kc0 h VAL 243 N -0.75 0.86 -0.08 2.29 3.04 -2.02 0.60 116.25 120.19 2kc0 h VAL 243 Ca -0.43 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2kc0 h VAL 243 Cb 1.29 0.74 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2kc0 h VAL 243 CO 0.51 0.02 0.00 0.59 -1.01 0.00 0.00 177.57 177.68 2kc0 n ASN 244 N -4.45 0.94 0.00 3.17 3.02 -1.26 -5.03 115.26 111.65 2kc0 n ASN 244 Ca 0.06 -2.05 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2kc0 n ASN 244 Cb 0.38 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.41 -2.13 3.75 7.41 0.00 0.20 -4.97 105.19 109.86 2kc0 n GLY 245 Ca 0.03 -1.62 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 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 -0.17 2.18 0.09 -0.61 1.10 -1.26 -1.23 121.20 121.30 2kc0 s ILE 246 Ca 0.00 0.14 0.03 0.00 -0.51 0.00 0.00 60.65 60.31 2kc0 s ILE 246 Cb 0.00 -3.07 -0.04 0.00 0.15 0.00 0.00 42.46 39.51 2kc0 s ILE 246 CO 0.00 -0.00 -0.09 -0.13 -2.11 0.00 0.00 174.94 172.61 2kc0 s ARG 247 N -2.87 0.80 0.13 3.50 3.00 0.58 -4.90 118.95 119.20 2kc0 s ARG 247 Ca 0.70 -1.13 0.10 0.00 0.00 0.00 0.00 55.73 55.40 2kc0 s ARG 247 Cb -0.39 -0.46 -0.04 0.00 0.00 0.00 0.00 34.95 34.06 2kc0 s ARG 247 CO 0.47 0.06 -0.21 -1.01 0.00 0.00 0.00 175.30 174.61 2kc0 s HIS 248 N -2.46 2.44 -0.04 -0.53 3.76 -1.26 -1.00 115.29 116.19 2kc0 s HIS 248 Ca 0.04 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 54.66 2kc0 s HIS 248 Cb -0.03 -1.29 0.01 0.00 1.11 0.00 0.00 32.58 32.39 2kc0 s HIS 248 CO -0.01 0.39 -0.09 0.42 -0.85 0.00 0.00 174.74 174.61 2kc0 s ILE 249 N -1.19 0.82 0.14 0.60 1.01 0.57 -3.79 121.20 119.35 2kc0 s ILE 249 Ca 0.17 -0.32 -0.24 0.00 0.00 0.00 0.00 60.65 60.25 2kc0 s ILE 249 Cb -0.10 -0.76 -0.07 0.00 0.01 0.00 0.00 42.46 41.53 2kc0 s ILE 249 CO 0.09 0.27 0.74 -0.83 0.00 0.00 0.00 174.94 175.22 2kc0 s GLY 250 N 0.56 2.87 -0.09 6.18 0.00 0.15 -0.78 107.32 116.20 2kc0 s GLY 250 Ca -0.09 0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.92 2kc0 s GLY 250 CO 0.01 0.84 -0.04 1.08 0.00 0.00 0.00 173.10 174.99 2kc0 s LEU 251 N -1.01 3.32 -0.23 0.66 2.01 -0.86 -2.98 118.68 119.59 2kc0 s LEU 251 Ca 0.35 0.02 -0.09 0.00 0.01 0.00 0.00 54.13 54.41 2kc0 s LEU 251 Cb -0.22 -1.75 0.09 0.00 0.01 0.00 0.00 46.19 44.32 2kc0 s LEU 251 CO 0.25 0.33 0.51 0.00 1.01 0.00 0.00 176.35 178.45 2kc0 s ALA 252 N -0.61 -1.46 -0.09 4.21 0.00 -1.16 -3.36 121.76 119.28 2kc0 s ALA 252 Ca 0.10 1.84 -0.23 0.00 0.00 0.00 0.00 51.96 53.67 2kc0 s ALA 252 Cb -0.12 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2kc0 s ALA 252 CO 0.02 -0.68 0.54 0.00 0.00 0.00 0.00 175.76 175.64 2kc0 s ALA 253 N 2.38 -1.37 -0.13 0.00 0.00 -0.90 -0.98 121.76 120.76 2kc0 s ALA 253 Ca -0.05 1.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.91 2kc0 s ALA 253 Cb -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2kc0 s ALA 253 CO -0.15 -0.31 0.33 0.21 0.00 0.00 0.00 175.76 175.85 2kc0 s LYS 254 N -0.78 0.38 0.00 0.00 2.20 -1.25 -1.49 119.74 118.80 2kc0 s LYS 254 Ca -0.08 0.49 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2kc0 s LYS 254 Cb -0.03 0.16 0.00 0.00 -1.51 0.00 0.00 37.83 36.45 2kc0 s LYS 254 CO 0.06 -0.06 0.30 0.00 -0.36 0.00 0.00 175.35 175.29