#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 0.23 0.00 0.00 -1.26 -3.11 105.19 100.76 2kc0 n GLY 15 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 2kc0 n GLY 15 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kc0 h LEU 16 N 0.00 0.33 -0.67 0.99 3.38 -1.96 -2.19 115.31 115.19 2kc0 h LEU 16 Ca 0.00 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2kc0 h LEU 16 Cb 0.00 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2kc0 h LEU 16 CO 0.00 0.21 -0.08 0.00 0.09 0.00 0.00 178.44 178.66 2kc0 h ALA 17 N 1.37 0.87 0.13 1.53 0.00 -1.74 -2.48 119.26 118.94 2kc0 h ALA 17 Ca 0.29 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2kc0 h ALA 17 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2kc0 h ALA 17 CO -0.25 0.65 -0.19 0.22 0.00 0.00 0.00 179.25 179.68 2kc0 h ASP 18 N 0.86 -0.53 0.58 0.00 3.58 -1.73 -1.62 116.42 117.56 2kc0 h ASP 18 Ca 0.14 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.65 2kc0 h ASP 18 Cb 0.61 0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2kc0 h ASP 18 CO 0.04 -0.28 0.00 0.00 -2.88 0.00 0.00 179.24 176.12 2kc0 n ALA 19 N -2.48 1.62 -0.06 -0.78 0.00 -0.84 -0.94 120.51 117.03 2kc0 n ALA 19 Ca -0.07 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2kc0 n ALA 19 Cb 0.23 -1.31 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.90 0.82 0.03 0.00 4.77 -0.95 -4.62 117.00 115.15 2kc0 n LEU 20 Ca 0.02 0.16 -0.03 0.00 -0.03 0.00 0.00 56.01 56.14 2kc0 n LEU 20 Cb 0.19 0.11 -0.09 0.00 -2.33 0.00 0.00 43.42 41.30 2kc0 n LEU 20 CO 0.16 0.53 -0.28 0.71 -1.33 0.00 0.00 177.39 177.17 2kc0 h THR 21 N 0.01 0.67 -4.01 -5.08 1.35 -0.77 -3.43 112.91 101.64 2kc0 h THR 21 Ca -0.44 -2.26 -0.12 0.00 -0.55 0.00 0.00 66.41 63.03 2kc0 h THR 21 Cb 2.11 2.20 -0.17 0.00 -1.73 0.00 0.00 68.15 70.56 2kc0 h THR 21 CO 0.04 0.38 -0.59 0.00 -0.25 0.00 0.00 175.52 175.10 2kc0 s ALA 22 N -2.83 0.18 0.78 6.62 0.00 -0.11 -5.09 121.76 121.31 2kc0 s ALA 22 Ca -0.03 -0.84 -0.11 0.00 0.00 0.00 0.00 51.96 50.98 2kc0 s ALA 22 Cb 0.08 0.27 0.06 0.00 0.00 0.00 0.00 23.12 23.54 2kc0 s ALA 22 CO 0.81 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 176.07 2kc0 s PRO 23 N -3.15 2.21 0.00 0.00 0.04 -1.26 -4.26 135.00 128.58 2kc0 s PRO 23 Ca -0.00 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.82 2kc0 s PRO 23 Cb 0.02 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2kc0 s PRO 23 CO -0.07 -1.57 0.00 1.28 0.04 0.00 0.00 177.00 176.68 2kc0 n LEU 24 N -3.42 0.00 -4.30 -3.56 7.99 -1.26 -4.98 117.00 107.46 2kc0 n LEU 24 Ca 0.07 0.00 -0.56 0.00 -0.01 0.00 0.00 56.01 55.51 2kc0 n LEU 24 Cb 0.55 0.00 -0.12 0.00 -0.11 0.00 0.00 43.42 43.74 2kc0 n LEU 24 CO 0.56 -0.34 1.82 0.47 -1.51 0.00 0.00 177.39 178.39 2kc0 n ASP 25 N -2.20 0.71 -0.84 -1.43 9.92 -1.26 -4.83 116.55 116.62 2kc0 n ASP 25 Ca 0.00 0.58 0.12 0.00 -0.53 0.00 0.00 54.79 54.96 2kc0 n ASP 25 Cb 0.00 -0.91 0.28 0.00 -0.64 0.00 0.00 41.12 39.85 2kc0 n ASP 25 CO 0.00 0.00 0.00 1.57 0.13 0.00 0.00 177.20 178.90 2kc0 n HIS 26 N 8.13 0.23 -0.11 1.24 -0.00 -1.26 -4.22 115.22 119.22 2kc0 n HIS 26 Ca 0.57 -0.12 -0.07 0.00 0.46 0.00 0.00 57.72 58.56 2kc0 n HIS 26 Cb -0.02 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 29.95 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.87 0.46 0.00 0.00 176.34 177.67 2kc0 h LYS 27 N 3.55 0.83 0.00 1.57 1.79 -1.99 -3.49 116.57 118.83 2kc0 h LYS 27 Ca 0.00 -0.29 0.00 0.00 -2.18 0.00 0.00 60.65 58.18 2kc0 h LYS 27 Cb 0.77 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 2kc0 h LYS 27 CO 0.00 0.91 0.00 -3.47 -1.08 0.00 0.00 179.45 175.81 2kc0 n ASP 28 N -4.15 0.00 -0.12 0.86 -0.08 -1.26 -4.98 116.55 106.82 2kc0 n ASP 28 Ca 0.01 0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.33 2kc0 n ASP 28 Cb 0.38 0.00 0.06 0.00 2.34 0.00 0.00 41.12 43.90 2kc0 n ASP 28 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2kc0 n LYS 29 N 0.85 1.38 0.00 -0.67 0.00 -1.26 -4.97 118.16 113.49 2kc0 n LYS 29 Ca 0.00 -1.71 0.00 0.00 -0.00 0.00 0.00 58.31 56.60 2kc0 n LYS 29 Cb 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2kc0 n GLY 30 N -0.72 -2.20 3.01 2.58 0.00 -1.26 -5.11 105.19 101.49 2kc0 n GLY 30 Ca 0.06 0.70 -0.12 0.00 0.00 0.00 0.00 46.02 46.66 2kc0 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kc0 s LEU 31 N -1.52 -0.45 0.00 0.99 0.20 -1.26 -4.66 118.68 111.99 2kc0 s LEU 31 Ca 0.00 0.47 0.00 0.00 0.69 0.00 0.00 54.13 55.29 2kc0 s LEU 31 Cb 0.00 0.93 0.00 0.00 -0.43 0.00 0.00 46.19 46.69 2kc0 s LEU 31 CO 0.00 -0.27 0.64 0.00 -0.29 0.00 0.00 176.35 176.43 2kc0 n GLN 32 N 5.36 0.88 -3.83 1.98 6.02 -1.26 -4.90 117.38 121.63 2kc0 n GLN 32 Ca -0.06 -0.78 -0.07 0.00 -0.01 0.00 0.00 57.00 56.08 2kc0 n GLN 32 Cb 0.50 -0.66 0.01 0.00 1.02 0.00 0.00 30.24 31.11 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2kc0 s SER 33 N -0.30 -0.07 0.01 1.08 1.04 -1.26 -0.84 113.70 113.35 2kc0 s SER 33 Ca 0.00 -0.89 0.03 0.00 0.48 0.00 0.00 55.95 55.57 2kc0 s SER 33 Cb 0.00 0.74 -0.01 0.00 0.10 0.00 0.00 66.02 66.85 2kc0 s SER 33 CO 0.00 -1.44 -0.08 -0.22 0.98 0.00 0.00 173.24 172.48 2kc0 s LEU 34 N -3.08 2.07 0.02 2.42 0.20 -0.04 -4.86 118.68 115.41 2kc0 s LEU 34 Ca 0.15 -0.24 -0.23 0.00 0.69 0.00 0.00 54.13 54.51 2kc0 s LEU 34 Cb -0.05 -0.38 -0.05 0.00 -0.43 0.00 0.00 46.19 45.29 2kc0 s LEU 34 CO 0.09 0.04 0.68 -0.89 -0.29 0.00 0.00 176.35 175.97 2kc0 s THR 35 N -0.44 4.83 -0.74 3.68 2.01 -1.26 -1.33 115.64 122.38 2kc0 s THR 35 Ca 0.01 1.43 0.14 0.00 0.31 0.00 0.00 61.69 63.57 2kc0 s THR 35 Cb -0.05 -4.02 0.43 0.00 0.01 0.00 0.00 72.50 68.88 2kc0 s THR 35 CO 0.00 0.39 1.36 0.18 -0.69 0.00 0.00 174.62 175.86 2kc0 n LEU 36 N 2.79 3.46 0.00 4.42 4.32 -0.35 -4.78 117.00 126.87 2kc0 n LEU 36 Ca -0.05 -2.37 0.03 0.00 -0.02 0.00 0.00 56.01 53.61 2kc0 n LEU 36 Cb 0.51 -0.38 0.17 0.00 -1.62 0.00 0.00 43.42 42.10 2kc0 n LEU 36 CO 0.45 0.73 0.55 -0.67 -1.22 0.00 0.00 177.39 177.23 2kc0 n ASP 37 N 0.29 0.00 0.00 -1.43 2.03 -1.26 -1.70 116.55 114.49 2kc0 n ASP 37 Ca 0.17 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.71 2kc0 n ASP 37 Cb 0.63 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 -1.32 0.55 -0.09 -0.67 3.00 -1.26 -4.65 117.38 112.95 2kc0 n GLN 38 Ca 0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.09 2kc0 n GLN 38 Cb 0.06 -1.00 0.43 0.00 0.00 0.00 0.00 30.24 29.73 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 0.00 0.50 -4.28 1.08 0.87 -1.66 -3.42 113.55 106.64 2kc0 h SER 39 Ca 0.00 -0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 2kc0 h SER 39 Cb 0.14 -0.11 -0.25 0.00 -0.44 0.00 0.00 62.40 61.73 2kc0 h SER 39 CO 0.00 0.33 -0.84 0.54 -0.53 0.00 0.00 176.83 176.33 2kc0 s VAL 40 N -5.52 1.63 0.65 2.23 0.11 -1.06 -5.08 120.40 113.36 2kc0 s VAL 40 Ca -0.09 -1.20 -0.18 0.00 -2.93 0.00 0.00 61.98 57.58 2kc0 s VAL 40 Cb 0.19 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.60 2kc0 s VAL 40 CO 0.75 0.18 1.23 -1.14 -3.33 0.00 0.00 175.10 172.79 2kc0 n ARG 41 N 1.81 1.01 0.08 1.54 3.00 -1.26 -4.74 116.66 118.10 2kc0 n ARG 41 Ca -0.17 0.40 0.06 0.00 -0.00 0.00 0.00 57.85 58.14 2kc0 n ARG 41 Cb 0.53 -2.47 0.32 0.00 0.00 0.00 0.00 32.46 30.84 2kc0 n ARG 41 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2kc0 n LYS 42 N -1.87 0.08 -0.00 -0.14 4.01 -1.25 -2.12 118.16 116.87 2kc0 n LYS 42 Ca 0.16 0.53 0.03 0.00 -0.51 0.00 0.00 58.31 58.52 2kc0 n LYS 42 Cb 0.48 -1.73 -0.05 0.00 -0.51 0.00 0.00 35.03 33.23 2kc0 n LYS 42 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2kc0 n ASN 43 N -1.88 2.79 -4.95 4.39 3.02 -1.26 -4.47 115.26 112.89 2kc0 n ASN 43 Ca -0.00 -0.14 -0.23 0.00 -0.03 0.00 0.00 54.58 54.18 2kc0 n ASN 43 Cb 0.05 1.24 -0.01 0.00 -0.61 0.00 0.00 39.78 40.44 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2kc0 s GLU 44 N -2.27 3.43 -0.16 3.52 2.02 -0.90 -4.85 118.70 119.50 2kc0 s GLU 44 Ca -0.01 -0.51 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 2kc0 s GLU 44 Cb 0.04 -2.73 -0.05 0.00 0.10 0.00 0.00 34.13 31.49 2kc0 s GLU 44 CO 0.27 0.21 0.18 0.21 0.02 0.00 0.00 175.26 176.15 2kc0 s LYS 45 N -4.22 3.96 -0.12 1.61 2.20 0.24 -2.95 119.74 120.46 2kc0 s LYS 45 Ca 0.39 -0.09 0.02 0.00 -0.36 0.00 0.00 55.97 55.93 2kc0 s LYS 45 Cb -0.09 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.89 2kc0 s LYS 45 CO 0.34 0.45 -0.21 -1.17 -0.36 0.00 0.00 175.35 174.41 2kc0 s LEU 46 N -0.12 2.24 -0.12 5.43 1.98 0.38 -0.96 118.68 127.51 2kc0 s LEU 46 Ca 0.13 -0.53 0.03 0.00 -2.89 0.00 0.00 54.13 50.87 2kc0 s LEU 46 Cb -0.12 -1.47 0.00 0.00 0.66 0.00 0.00 46.19 45.26 2kc0 s LEU 46 CO 0.02 0.13 -0.22 -0.75 -1.89 0.00 0.00 176.35 173.63 2kc0 s LYS 47 N 0.55 3.07 0.16 1.98 2.47 -0.83 -1.30 119.74 125.84 2kc0 s LYS 47 Ca -0.12 -0.85 0.11 0.00 -1.56 0.00 0.00 55.97 53.54 2kc0 s LYS 47 Cb -0.17 -2.39 -0.04 0.00 -1.46 0.00 0.00 37.83 33.78 2kc0 s LYS 47 CO 0.04 0.10 -0.23 -1.17 0.16 0.00 0.00 175.35 174.25 2kc0 s LEU 48 N 0.54 2.49 -0.14 5.43 2.96 -0.05 -0.98 118.68 128.93 2kc0 s LEU 48 Ca -0.13 -0.76 -0.25 0.00 -0.22 0.00 0.00 54.13 52.77 2kc0 s LEU 48 Cb -0.17 -1.29 0.06 0.00 0.50 0.00 0.00 46.19 45.29 2kc0 s LEU 48 CO 0.04 0.15 0.62 0.00 -1.32 0.00 0.00 176.35 175.84 2kc0 s ALA 49 N -1.40 -1.58 -0.18 5.97 0.00 -0.12 -0.42 121.76 124.04 2kc0 s ALA 49 Ca 0.19 1.45 -0.29 0.00 0.00 0.00 0.00 51.96 53.30 2kc0 s ALA 49 Cb -0.09 -0.49 0.12 0.00 0.00 0.00 0.00 23.12 22.66 2kc0 s ALA 49 CO 0.09 -0.33 0.97 0.00 0.00 0.00 0.00 175.76 176.50 2kc0 s ALA 50 N -0.48 -1.92 -1.53 0.00 0.00 -0.53 -2.66 121.76 114.64 2kc0 s ALA 50 Ca -0.06 1.63 -0.09 0.00 0.00 0.00 0.00 51.96 53.43 2kc0 s ALA 50 Cb -0.03 -0.80 0.07 0.00 0.00 0.00 0.00 23.12 22.36 2kc0 s ALA 50 CO 0.05 -0.30 0.69 0.94 0.00 0.00 0.00 175.76 177.14 2kc0 n GLN 51 N 1.08 -3.85 -0.40 0.00 -0.06 -1.26 -1.75 117.38 111.14 2kc0 n GLN 51 Ca -0.12 0.45 0.00 0.00 -2.00 0.00 0.00 57.00 55.34 2kc0 n GLN 51 Cb 0.57 -4.98 0.00 0.00 -4.06 0.00 0.00 30.24 21.78 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2kc0 n GLY 52 N -1.69 0.72 3.46 1.69 0.00 -1.26 -4.61 105.19 103.50 2kc0 n GLY 52 Ca -0.10 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.80 2.45 -0.22 4.61 0.00 -0.72 -5.09 121.76 119.99 2kc0 s ALA 53 Ca 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 51.96 49.78 2kc0 s ALA 53 Cb 0.00 0.41 0.07 0.00 0.00 0.00 0.00 23.12 23.60 2kc0 s ALA 53 CO 0.00 -0.19 0.56 -1.83 0.00 0.00 0.00 175.76 174.29 2kc0 s GLU 54 N -3.81 0.59 -0.15 0.00 -1.05 -1.26 -1.45 118.70 111.57 2kc0 s GLU 54 Ca 0.34 0.94 -0.05 0.00 -0.15 0.00 0.00 54.97 56.05 2kc0 s GLU 54 Cb 0.07 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.87 2kc0 s GLU 54 CO 0.14 -0.13 -0.00 0.21 0.95 0.00 0.00 175.26 176.43 2kc0 s LYS 55 N 1.14 3.65 -0.20 -4.83 2.47 0.44 -4.82 119.74 117.59 2kc0 s LYS 55 Ca -0.07 -0.45 -0.00 0.00 -1.56 0.00 0.00 55.97 53.89 2kc0 s LYS 55 Cb -0.06 -2.98 0.05 0.00 -1.46 0.00 0.00 37.83 33.38 2kc0 s LYS 55 CO -0.11 0.33 -0.04 0.99 0.16 0.00 0.00 175.35 176.68 2kc0 s THR 56 N 0.14 1.22 0.08 3.43 2.01 -1.26 -0.87 115.64 120.39 2kc0 s THR 56 Ca 0.01 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.12 2kc0 s THR 56 Cb -0.13 -1.48 0.00 0.00 0.01 0.00 0.00 72.50 70.90 2kc0 s THR 56 CO 0.02 -0.02 0.13 0.00 -0.69 0.00 0.00 174.62 174.06 2kc0 n TYR 57 N 4.81 -0.78 -0.43 4.92 4.11 -0.42 -5.02 117.16 124.34 2kc0 n TYR 57 Ca -0.12 -0.53 0.00 0.00 -0.00 0.00 0.00 57.90 57.25 2kc0 n TYR 57 Cb 0.46 0.15 0.00 0.00 -0.00 0.00 0.00 39.34 39.95 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 -0.13 -1.22 5.00 -7.48 0.00 -1.26 -0.47 105.19 99.62 2kc0 n GLY 58 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.22 0.00 0.00 1.61 2.85 -1.15 -4.10 115.26 114.69 2kc0 n ASN 59 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2kc0 n ASN 59 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kc0 n GLY 60 N 0.00 -1.54 0.00 8.20 0.00 -1.26 -3.90 105.19 106.68 2kc0 n GLY 60 Ca 0.00 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -3.34 1.61 2.03 -1.26 -4.88 116.55 110.71 2kc0 n ASP 61 Ca 0.00 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2kc0 n ASP 61 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2kc0 s SER 62 N 1.00 -0.06 -0.04 1.67 1.04 -1.26 -1.21 113.70 114.84 2kc0 s SER 62 Ca 0.00 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.63 2kc0 s SER 62 Cb 0.00 0.65 0.03 0.00 0.10 0.00 0.00 66.02 66.80 2kc0 s SER 62 CO 0.00 -1.27 0.09 -0.22 0.98 0.00 0.00 173.24 172.83 2kc0 s LEU 63 N -3.14 0.90 -0.02 2.42 2.96 -0.44 -4.87 118.68 116.48 2kc0 s LEU 63 Ca 0.16 0.18 -0.15 0.00 -0.22 0.00 0.00 54.13 54.10 2kc0 s LEU 63 Cb -0.04 0.16 -0.05 0.00 0.50 0.00 0.00 46.19 46.76 2kc0 s LEU 63 CO 0.07 -0.14 0.41 0.20 -1.32 0.00 0.00 176.35 175.57 2kc0 s ASN 64 N 1.11 6.77 0.00 3.68 -0.87 -1.26 -0.87 114.94 123.51 2kc0 s ASN 64 Ca -0.09 0.92 0.00 0.00 -1.57 0.00 0.00 52.86 52.12 2kc0 s ASN 64 Cb -0.12 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 2kc0 s ASN 64 CO -0.04 0.27 0.14 0.35 -2.57 0.00 0.00 177.10 175.25 2kc0 n THR 65 N 2.14 0.00 0.00 1.60 -2.24 -0.02 -4.78 114.28 110.97 2kc0 n THR 65 Ca -0.13 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2kc0 n THR 65 Cb 0.52 1.48 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 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 0.09 -1.63 1.98 3.38 0.00 -0.28 -2.92 105.19 105.81 2kc0 n GLY 66 Ca 0.00 0.34 -0.21 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.97 2.03 -3.65 1.61 3.00 -1.26 -4.87 118.16 114.04 2kc0 n LYS 67 Ca 0.00 -2.10 -0.20 0.00 -0.00 0.00 0.00 58.31 56.01 2kc0 n LYS 67 Cb 0.00 -1.82 -0.02 0.00 0.00 0.00 0.00 35.03 33.19 2kc0 n LYS 67 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kc0 s LEU 68 N -2.41 3.74 0.92 3.14 1.02 -1.15 -5.11 118.68 118.84 2kc0 s LEU 68 Ca 0.41 -0.38 -0.11 0.00 0.02 0.00 0.00 54.13 54.07 2kc0 s LEU 68 Cb 0.33 -2.43 0.15 0.00 0.02 0.00 0.00 46.19 44.26 2kc0 s LEU 68 CO 0.01 -0.40 1.10 -0.75 0.02 0.00 0.00 176.35 176.33 2kc0 s LYS 69 N -4.08 1.00 0.56 1.70 2.20 -1.26 -5.06 119.74 114.80 2kc0 s LYS 69 Ca 0.43 1.16 -0.01 0.00 -0.36 0.00 0.00 55.97 57.19 2kc0 s LYS 69 Cb -0.07 -1.75 0.03 0.00 -1.51 0.00 0.00 37.83 34.52 2kc0 s LYS 69 CO 0.28 -2.52 0.81 -0.80 -0.36 0.00 0.00 175.35 172.77 2kc0 s ASN 70 N -2.99 5.37 -1.54 1.43 0.01 -1.26 -4.73 114.94 111.22 2kc0 s ASN 70 Ca 0.65 0.25 -0.07 0.00 -0.71 0.00 0.00 52.86 52.98 2kc0 s ASN 70 Cb -0.21 -1.19 0.06 0.00 0.41 0.00 0.00 41.25 40.33 2kc0 s ASN 70 CO 0.58 -1.11 0.47 0.47 -1.51 0.00 0.00 177.10 176.01 2kc0 n ASP 71 N -2.42 -1.12 -4.01 -1.22 8.00 -0.32 -4.90 116.55 110.56 2kc0 n ASP 71 Ca 0.06 -1.06 -0.09 0.00 0.71 0.00 0.00 54.79 54.41 2kc0 n ASP 71 Cb 0.59 -2.66 -0.08 0.00 -0.02 0.00 0.00 41.12 38.94 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 -6.84 0.93 -0.17 -1.24 -2.85 -0.01 -4.98 119.74 104.57 2kc0 s LYS 72 Ca 0.27 -1.20 -0.09 0.00 -1.00 0.00 0.00 55.97 53.95 2kc0 s LYS 72 Cb -0.15 0.30 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 2kc0 s LYS 72 CO 0.92 -0.29 0.13 0.08 0.10 0.00 0.00 175.35 176.30 2kc0 s VAL 73 N -3.96 5.43 0.01 1.79 1.01 -1.26 -0.90 120.40 122.53 2kc0 s VAL 73 Ca 0.14 0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.32 2kc0 s VAL 73 Cb 0.06 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2kc0 s VAL 73 CO -0.04 0.51 0.07 -0.44 0.00 0.00 0.00 175.10 175.19 2kc0 s SER 74 N -0.15 5.56 -0.15 3.32 0.01 0.45 -4.98 113.70 117.76 2kc0 s SER 74 Ca 0.10 0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.41 2kc0 s SER 74 Cb -0.11 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2kc0 s SER 74 CO 0.00 0.25 -0.02 0.00 0.41 0.00 0.00 173.24 173.88 2kc0 s ARG 75 N -1.84 3.67 -0.03 12.44 1.70 -1.26 -1.37 118.95 132.26 2kc0 s ARG 75 Ca 0.24 -0.49 -0.07 0.00 -0.47 0.00 0.00 55.73 54.94 2kc0 s ARG 75 Cb -0.12 -2.94 0.01 0.00 -0.57 0.00 0.00 34.95 31.33 2kc0 s ARG 75 CO 0.15 0.28 0.16 -0.06 -1.08 0.00 0.00 175.30 174.75 2kc0 s PHE 76 N 0.27 -0.08 -0.01 5.89 0.08 -0.92 -4.99 117.98 118.23 2kc0 s PHE 76 Ca -0.02 0.16 -0.20 0.00 0.12 0.00 0.00 56.93 56.99 2kc0 s PHE 76 Cb -0.14 0.01 -0.05 0.00 -0.57 0.00 0.00 43.02 42.27 2kc0 s PHE 76 CO 0.02 -0.20 0.59 0.34 -0.10 0.00 0.00 175.22 175.88 2kc0 s ASP 77 N -0.68 6.96 0.14 1.36 2.15 -1.09 -1.51 116.67 124.00 2kc0 s ASP 77 Ca -0.08 1.14 -0.09 0.00 0.43 0.00 0.00 52.55 53.96 2kc0 s ASP 77 Cb -0.05 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2kc0 s ASP 77 CO 0.01 0.10 0.26 0.72 -0.17 0.00 0.00 175.17 176.08 2kc0 s PHE 78 N -0.15 0.32 -0.05 -5.34 -0.71 -0.89 -0.94 117.98 110.21 2kc0 s PHE 78 Ca 0.31 -0.70 -0.04 0.00 -1.04 0.00 0.00 56.93 55.45 2kc0 s PHE 78 Cb -0.18 -0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.59 2kc0 s PHE 78 CO 0.17 -0.67 0.13 -1.50 -1.34 0.00 0.00 175.22 172.01 2kc0 s ILE 79 N -3.94 -0.01 -0.23 -4.49 -1.16 -0.15 -2.13 121.20 109.10 2kc0 s ILE 79 Ca 0.14 0.03 -0.07 0.00 -0.51 0.00 0.00 60.65 60.24 2kc0 s ILE 79 Cb 0.04 -0.19 -0.03 0.00 0.61 0.00 0.00 42.46 42.89 2kc0 s ILE 79 CO -0.03 0.01 0.05 0.00 -2.81 0.00 0.00 174.94 172.16 2kc0 s ARG 80 N 0.24 3.67 0.28 3.50 1.70 -0.33 -1.96 118.95 126.06 2kc0 s ARG 80 Ca -0.01 -0.48 0.01 0.00 -0.47 0.00 0.00 55.73 54.78 2kc0 s ARG 80 Cb -0.03 -3.25 -0.03 0.00 -0.57 0.00 0.00 34.95 31.08 2kc0 s ARG 80 CO -0.01 -0.09 0.28 1.14 -1.08 0.00 0.00 175.30 175.54 2kc0 s GLN 81 N 1.34 1.58 0.08 3.89 -2.07 -0.13 -2.19 119.66 122.16 2kc0 s GLN 81 Ca 0.05 -1.78 -0.11 0.00 -1.82 0.00 0.00 55.36 51.70 2kc0 s GLN 81 Cb -0.15 0.34 0.01 0.00 -1.09 0.00 0.00 33.01 32.12 2kc0 s GLN 81 CO 0.03 -0.59 0.24 -1.50 -1.32 0.00 0.00 175.29 172.15 2kc0 s ILE 82 N -3.66 0.12 -0.12 3.63 2.07 -1.26 -0.59 121.20 121.39 2kc0 s ILE 82 Ca 0.37 -0.97 -0.20 0.00 -1.41 0.00 0.00 60.65 58.44 2kc0 s ILE 82 Cb 0.03 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.40 2kc0 s ILE 82 CO 0.20 -0.54 0.54 -0.70 -1.91 0.00 0.00 174.94 172.53 2kc0 s GLU 83 N -3.44 4.34 -0.23 3.50 2.12 -1.26 -3.60 118.70 120.12 2kc0 s GLU 83 Ca 0.01 0.55 0.01 0.00 0.36 0.00 0.00 54.97 55.91 2kc0 s GLU 83 Cb 0.03 -3.46 0.04 0.00 0.26 0.00 0.00 34.13 30.99 2kc0 s GLU 83 CO -0.09 0.08 -0.12 0.14 -0.54 0.00 0.00 175.26 174.73 2kc0 s VAL 84 N 0.85 2.39 -1.26 3.70 -7.23 0.22 -4.72 120.40 114.35 2kc0 s VAL 84 Ca 0.29 -1.21 -0.06 0.00 -1.81 0.00 0.00 61.98 59.18 2kc0 s VAL 84 Cb -0.16 -2.22 0.04 0.00 0.56 0.00 0.00 36.38 34.60 2kc0 s VAL 84 CO 0.12 0.22 0.37 0.47 -0.31 0.00 0.00 175.10 175.96 2kc0 n ASP 85 N 4.57 -4.14 0.00 4.85 8.00 -1.26 -0.95 116.55 127.62 2kc0 n ASP 85 Ca -0.17 -0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.13 2kc0 n ASP 85 Cb 0.46 -3.43 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 2kc0 n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kc0 n GLY 86 N -1.12 0.75 3.73 0.44 0.00 -1.26 -5.05 105.19 102.68 2kc0 n GLY 86 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.22 2.98 -0.22 1.61 -0.21 -0.12 -5.09 119.66 118.39 2kc0 s GLN 87 Ca 0.00 -0.48 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 2kc0 s GLN 87 Cb 0.00 -2.80 -0.03 0.00 1.00 0.00 0.00 33.01 31.18 2kc0 s GLN 87 CO 0.00 0.67 0.03 -1.17 -2.12 0.00 0.00 175.29 172.70 2kc0 s LEU 88 N -1.37 3.33 -0.09 2.90 1.98 -1.26 -0.61 118.68 123.56 2kc0 s LEU 88 Ca 0.18 -0.20 0.04 0.00 -2.89 0.00 0.00 54.13 51.26 2kc0 s LEU 88 Cb -0.12 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.86 2kc0 s LEU 88 CO 0.09 0.02 -0.23 -0.63 -1.89 0.00 0.00 176.35 173.70 2kc0 s ILE 89 N 1.27 2.13 -1.18 6.68 1.01 -1.24 -5.04 121.20 124.83 2kc0 s ILE 89 Ca 0.04 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.51 2kc0 s ILE 89 Cb -0.15 -1.81 0.10 0.00 0.01 0.00 0.00 42.46 40.62 2kc0 s ILE 89 CO 0.02 0.56 1.53 0.42 0.00 0.00 0.00 174.94 177.47 2kc0 s THR 90 N 0.25 4.43 0.04 2.92 -4.23 -1.26 -3.98 115.64 113.81 2kc0 s THR 90 Ca -0.16 -1.90 -0.31 0.00 -1.18 0.00 0.00 61.69 58.15 2kc0 s THR 90 Cb -0.17 -5.04 -0.17 0.00 1.34 0.00 0.00 72.50 68.45 2kc0 s THR 90 CO 0.08 -1.83 1.34 0.25 -0.54 0.00 0.00 174.62 173.92 2kc0 h LEU 91 N 11.51 -0.85 -7.54 4.79 7.12 -1.94 -3.33 115.31 125.07 2kc0 h LEU 91 Ca 0.33 0.01 -0.29 0.00 0.13 0.00 0.00 57.88 58.07 2kc0 h LEU 91 Cb 0.91 0.22 -0.33 0.00 -0.53 0.00 0.00 40.66 40.93 2kc0 h LEU 91 CO 1.35 -0.52 -0.72 -1.61 -0.13 0.00 0.00 178.44 176.81 2kc0 s GLU 92 N -5.29 -0.02 0.07 1.25 2.02 -0.93 -1.29 118.70 114.50 2kc0 s GLU 92 Ca -0.16 0.18 0.07 0.00 0.02 0.00 0.00 54.97 55.08 2kc0 s GLU 92 Cb 0.02 -0.22 -0.03 0.00 0.10 0.00 0.00 34.13 34.00 2kc0 s GLU 92 CO 0.52 -0.15 -0.19 0.45 0.02 0.00 0.00 175.26 175.91 2kc0 s SER 93 N 0.97 2.30 0.00 -0.19 0.15 -0.76 -1.18 113.70 114.98 2kc0 s SER 93 Ca -0.08 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 55.99 2kc0 s SER 93 Cb -0.11 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.05 2kc0 s SER 93 CO -0.03 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2kc0 n GLY 94 N 1.51 1.42 3.60 9.45 0.00 -0.90 -1.58 105.19 118.69 2kc0 n GLY 94 Ca -0.19 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 44.76 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 0.28 3.97 -0.69 1.61 -6.30 -0.16 -2.10 118.70 115.31 2kc0 s GLU 95 Ca 0.00 -0.32 -0.21 0.00 -2.50 0.00 0.00 54.97 51.94 2kc0 s GLU 95 Cb 0.00 -3.56 0.09 0.00 0.00 0.00 0.00 34.13 30.66 2kc0 s GLU 95 CO 0.00 -0.06 0.92 0.12 0.02 0.00 0.00 175.26 176.26 2kc0 s PHE 96 N 1.40 2.84 -0.41 5.30 5.36 -0.57 -1.10 117.98 130.80 2kc0 s PHE 96 Ca 0.07 -0.80 -0.15 0.00 -0.96 0.00 0.00 56.93 55.08 2kc0 s PHE 96 Cb -0.15 -4.22 0.02 0.00 -0.34 0.00 0.00 43.02 38.34 2kc0 s PHE 96 CO 0.07 -1.53 0.33 -1.14 -1.46 0.00 0.00 175.22 171.49 2kc0 s GLN 97 N 3.46 2.99 -0.32 10.12 -0.44 -0.84 -2.16 119.66 132.47 2kc0 s GLN 97 Ca 0.21 -0.99 -0.02 0.00 -2.50 0.00 0.00 55.36 52.06 2kc0 s GLN 97 Cb -0.17 -3.98 0.06 0.00 -1.64 0.00 0.00 33.01 27.28 2kc0 s GLN 97 CO 0.06 -0.78 0.03 0.08 0.50 0.00 0.00 175.29 175.18 2kc0 s VAL 98 N 1.76 3.05 -0.15 1.34 1.01 -0.47 -1.56 120.40 125.38 2kc0 s VAL 98 Ca 0.06 -1.48 -0.20 0.00 0.00 0.00 0.00 61.98 60.36 2kc0 s VAL 98 Cb -0.19 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.35 2kc0 s VAL 98 CO 0.11 -0.20 0.58 -0.47 0.00 0.00 0.00 175.10 175.12 2kc0 s TYR 99 N 1.24 3.45 -0.20 5.22 6.14 -0.04 -0.41 117.35 132.74 2kc0 s TYR 99 Ca -0.03 0.95 -0.04 0.00 0.64 0.00 0.00 57.07 58.59 2kc0 s TYR 99 Cb -0.20 -2.71 -0.02 0.00 0.42 0.00 0.00 41.96 39.45 2kc0 s TYR 99 CO -0.01 -0.02 -0.03 0.21 0.64 0.00 0.00 175.55 176.34 2kc0 s LYS 100 N 1.32 3.51 0.37 4.97 2.36 -0.07 -1.71 119.74 130.49 2kc0 s LYS 100 Ca 0.29 -0.57 0.01 0.00 -2.55 0.00 0.00 55.97 53.15 2kc0 s LYS 100 Cb -0.16 -3.02 -0.00 0.00 -1.05 0.00 0.00 37.83 33.60 2kc0 s LYS 100 CO 0.12 -0.04 0.04 1.04 1.55 0.00 0.00 175.35 178.05 2kc0 n GLN 101 N 4.37 0.90 -2.05 4.03 6.02 -0.32 -0.83 117.38 129.51 2kc0 n GLN 101 Ca -0.18 -2.83 -0.42 0.00 -0.01 0.00 0.00 57.00 53.57 2kc0 n GLN 101 Cb 0.52 1.03 -0.03 0.00 1.02 0.00 0.00 30.24 32.77 2kc0 n GLN 101 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kc0 s SER 102 N -3.11 6.71 0.00 1.08 0.01 -1.26 -3.99 113.70 113.13 2kc0 s SER 102 Ca 0.06 2.53 0.00 0.00 1.31 0.00 0.00 55.95 59.85 2kc0 s SER 102 Cb 0.00 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2kc0 s SER 102 CO 0.04 -0.71 0.00 1.41 0.41 0.00 0.00 173.24 174.39 2kc0 n HIS 103 N 3.32 0.00 -3.85 2.43 8.25 -1.26 -4.82 115.22 119.29 2kc0 n HIS 103 Ca 0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.47 2kc0 n HIS 103 Cb 0.40 -0.86 -0.08 0.00 1.12 0.00 0.00 29.99 30.58 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 -0.89 0.10 -0.08 0.41 1.04 -1.26 -4.57 113.70 108.45 2kc0 s SER 104 Ca 0.00 -0.57 -0.30 0.00 0.48 0.00 0.00 55.95 55.55 2kc0 s SER 104 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 2kc0 s SER 104 CO 0.00 -0.68 0.69 0.00 0.98 0.00 0.00 173.24 174.23 2kc0 s ALA 105 N -3.50 -1.78 0.01 5.32 0.00 -1.07 -1.17 121.76 119.58 2kc0 s ALA 105 Ca 0.02 1.41 -0.06 0.00 0.00 0.00 0.00 51.96 53.33 2kc0 s ALA 105 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2kc0 s ALA 105 CO -0.09 -0.36 0.11 -0.48 0.00 0.00 0.00 175.76 174.94 2kc0 s LEU 106 N -1.01 1.67 0.23 0.00 0.05 -0.69 -1.28 118.68 117.66 2kc0 s LEU 106 Ca -0.09 -0.31 0.07 0.00 0.05 0.00 0.00 54.13 53.85 2kc0 s LEU 106 Cb -0.01 0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 44.70 2kc0 s LEU 106 CO 0.09 -0.39 0.17 0.28 -0.55 0.00 0.00 176.35 175.95 2kc0 s THR 107 N -1.64 4.42 0.02 5.48 -1.32 -1.21 -0.86 115.64 120.52 2kc0 s THR 107 Ca -0.13 -1.34 -0.00 0.00 -1.21 0.00 0.00 61.69 59.01 2kc0 s THR 107 Cb -0.07 -3.35 -0.02 0.00 -1.51 0.00 0.00 72.50 67.55 2kc0 s THR 107 CO 0.00 -0.29 -0.02 0.00 -2.21 0.00 0.00 174.62 172.10 2kc0 s ALA 108 N -2.04 0.14 -0.01 11.08 0.00 -0.60 -0.71 121.76 129.62 2kc0 s ALA 108 Ca 0.32 -0.63 -0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kc0 s ALA 108 Cb -0.08 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2kc0 s ALA 108 CO 0.24 -0.18 0.08 -0.06 0.00 0.00 0.00 175.76 175.83 2kc0 s PHE 109 N -1.71 3.28 -0.42 0.00 0.40 -0.15 -2.00 117.98 117.38 2kc0 s PHE 109 Ca -0.14 0.20 0.06 0.00 -0.60 0.00 0.00 56.93 56.46 2kc0 s PHE 109 Cb -0.08 -1.74 0.21 0.00 0.51 0.00 0.00 43.02 41.92 2kc0 s PHE 109 CO -0.02 0.55 0.45 0.94 0.70 0.00 0.00 175.22 177.84 2kc0 n GLN 110 N 1.23 0.57 -2.71 0.44 7.27 -0.26 -1.92 117.38 122.00 2kc0 n GLN 110 Ca -0.13 -3.28 -0.42 0.00 0.07 0.00 0.00 57.00 53.23 2kc0 n GLN 110 Cb 0.53 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.68 2kc0 n GLN 110 CO 0.00 0.00 0.00 -0.08 0.07 0.00 0.00 177.06 177.05 2kc0 s THR 111 N -0.70 4.84 0.06 1.69 -1.32 -0.37 -0.99 115.64 118.84 2kc0 s THR 111 Ca 0.34 2.04 0.00 0.00 -1.21 0.00 0.00 61.69 62.86 2kc0 s THR 111 Cb 0.11 -4.31 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 2kc0 s THR 111 CO -0.15 0.10 0.00 -0.62 -2.21 0.00 0.00 174.62 171.74 2kc0 n GLU 112 N 4.35 0.00 -3.49 7.08 1.02 -0.62 -0.93 120.64 128.06 2kc0 n GLU 112 Ca 0.07 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2kc0 n GLU 112 Cb 0.50 -0.09 -0.10 0.00 -0.02 0.00 0.00 31.44 31.73 2kc0 n GLU 112 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2kc0 s GLN 113 N -1.31 3.41 -0.00 3.49 -0.21 -1.03 -1.06 119.66 122.94 2kc0 s GLN 113 Ca 0.00 -0.67 -0.04 0.00 0.02 0.00 0.00 55.36 54.67 2kc0 s GLN 113 Cb 0.00 -3.84 -0.00 0.00 1.00 0.00 0.00 33.01 30.17 2kc0 s GLN 113 CO 0.00 -0.52 0.07 0.96 -2.12 0.00 0.00 175.29 173.68 2kc0 s ILE 114 N 1.78 0.06 0.40 1.08 -5.25 -0.19 -1.83 121.20 117.26 2kc0 s ILE 114 Ca 0.07 -0.52 -0.23 0.00 -0.99 0.00 0.00 60.65 58.98 2kc0 s ILE 114 Cb -0.18 -0.27 -0.10 0.00 2.95 0.00 0.00 42.46 44.86 2kc0 s ILE 114 CO 0.11 -0.28 0.98 -1.10 -1.79 0.00 0.00 174.94 172.85 2kc0 s GLN 115 N -0.91 4.27 -0.14 0.37 -0.21 -0.41 -0.48 119.66 122.15 2kc0 s GLN 115 Ca -0.10 1.27 -0.23 0.00 0.02 0.00 0.00 55.36 56.32 2kc0 s GLN 115 Cb -0.06 -2.40 -0.03 0.00 1.00 0.00 0.00 33.01 31.52 2kc0 s GLN 115 CO 0.00 -0.01 0.73 0.34 -2.12 0.00 0.00 175.29 174.23 2kc0 s ASP 116 N -1.89 6.90 -0.88 5.90 -1.08 -1.17 -4.90 116.67 119.55 2kc0 s ASP 116 Ca 0.59 1.09 -0.06 0.00 -0.52 0.00 0.00 52.55 53.65 2kc0 s ASP 116 Cb -0.15 -2.41 -0.00 0.00 -1.46 0.00 0.00 42.92 38.90 2kc0 s ASP 116 CO 0.19 -0.25 2.82 -1.20 0.52 0.00 0.00 175.17 177.25 2kc0 n SER 117 N 4.61 7.20 0.00 -0.34 7.64 -1.26 -3.48 113.62 127.99 2kc0 n SER 117 Ca 0.01 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.93 2kc0 n SER 117 Cb 0.50 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2kc0 n SER 117 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2kc0 n GLU 118 N 1.90 0.15 0.00 1.43 0.28 -1.26 -4.96 120.64 118.19 2kc0 n GLU 118 Ca 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.58 2kc0 n GLU 118 Cb 0.45 -0.18 0.00 0.00 1.43 0.00 0.00 31.44 33.15 2kc0 n GLU 118 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2kc0 n HIS 119 N -0.46 0.00 -1.17 -1.84 -0.00 -1.23 -5.04 115.22 105.49 2kc0 n HIS 119 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.63 2kc0 n HIS 119 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 2kc0 n HIS 119 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 2kc0 n SER 120 N -0.07 -4.16 -0.23 0.26 7.64 -1.24 -4.48 113.62 111.35 2kc0 n SER 120 Ca 0.00 0.23 0.00 0.00 1.01 0.00 0.00 58.87 60.11 2kc0 n SER 120 Cb 0.02 -3.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kc0 n GLY 121 N 0.11 0.58 3.98 0.23 0.00 -1.26 -5.07 105.19 103.76 2kc0 n GLY 121 Ca -0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kc0 s LYS 122 N 0.00 3.08 0.14 1.61 -0.14 -1.26 -5.04 119.74 118.12 2kc0 s LYS 122 Ca 0.00 -0.86 0.09 0.00 -1.36 0.00 0.00 55.97 53.85 2kc0 s LYS 122 Cb 0.00 -2.73 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 2kc0 s LYS 122 CO 0.00 -0.06 -0.21 -1.64 -0.76 0.00 0.00 175.35 172.67 2kc0 s MET 123 N -4.31 1.27 0.01 1.68 -1.94 -1.26 -3.05 119.30 111.70 2kc0 s MET 123 Ca 0.46 -1.33 0.01 0.00 -1.71 0.00 0.00 55.69 53.13 2kc0 s MET 123 Cb -0.10 -1.52 -0.01 0.00 2.01 0.00 0.00 34.83 35.22 2kc0 s MET 123 CO 0.33 0.34 -0.04 0.08 -0.01 0.00 0.00 175.02 175.71 2kc0 s VAL 124 N -1.51 0.32 -0.44 -6.03 1.01 0.37 -4.84 120.40 109.28 2kc0 s VAL 124 Ca 0.13 -0.46 0.03 0.00 0.00 0.00 0.00 61.98 61.68 2kc0 s VAL 124 Cb -0.08 -0.33 0.12 0.00 0.00 0.00 0.00 36.38 36.09 2kc0 s VAL 124 CO 0.06 -0.10 0.17 0.00 0.00 0.00 0.00 175.10 175.23 2kc0 s ALA 125 N -0.55 3.13 0.68 5.51 0.00 -1.26 -1.02 121.76 128.25 2kc0 s ALA 125 Ca -0.03 -2.92 0.01 0.00 0.00 0.00 0.00 51.96 49.02 2kc0 s ALA 125 Cb -0.04 -2.11 0.12 0.00 0.00 0.00 0.00 23.12 21.09 2kc0 s ALA 125 CO -0.00 -1.87 0.87 1.63 0.00 0.00 0.00 175.76 176.39 2kc0 n LYS 126 N 3.69 0.04 -2.84 0.00 4.76 -0.22 -5.00 118.16 118.59 2kc0 n LYS 126 Ca 0.04 -2.45 -0.15 0.00 -2.87 0.00 0.00 58.31 52.89 2kc0 n LYS 126 Cb 0.37 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 33.02 2kc0 n LYS 126 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kc0 n ARG 127 N -2.58 1.45 -3.02 1.97 3.00 -1.26 -4.32 116.66 111.91 2kc0 n ARG 127 Ca 0.15 -3.53 -0.43 0.00 -0.01 0.00 0.00 57.85 54.03 2kc0 n ARG 127 Cb 0.52 -1.57 -0.06 0.00 0.00 0.00 0.00 32.46 31.36 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.63 176.98 2kc0 s GLN 128 N -2.95 3.29 0.19 5.56 -1.52 -0.10 -4.94 119.66 119.19 2kc0 s GLN 128 Ca 0.35 -0.38 -0.11 0.00 -1.95 0.00 0.00 55.36 53.26 2kc0 s GLN 128 Cb 0.40 -4.00 -0.07 0.00 -0.22 0.00 0.00 33.01 29.12 2kc0 s GLN 128 CO -0.04 -1.18 0.54 0.12 -0.25 0.00 0.00 175.29 174.48 2kc0 s PHE 129 N 3.15 3.50 0.00 0.91 5.36 -1.26 -1.24 117.98 128.41 2kc0 s PHE 129 Ca 0.25 0.94 -0.12 0.00 -0.96 0.00 0.00 56.93 57.03 2kc0 s PHE 129 Cb -0.14 -2.30 0.02 0.00 -0.34 0.00 0.00 43.02 40.26 2kc0 s PHE 129 CO 0.19 0.34 0.25 1.03 -1.46 0.00 0.00 175.22 175.57 2kc0 s ARG 130 N -2.45 0.64 0.67 10.12 1.81 -0.81 -4.75 118.95 124.18 2kc0 s ARG 130 Ca 0.43 -0.33 -0.14 0.00 -1.72 0.00 0.00 55.73 53.96 2kc0 s ARG 130 Cb -0.13 0.28 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 2kc0 s ARG 130 CO 0.20 -0.18 1.10 -1.50 -0.68 0.00 0.00 175.30 174.25 2kc0 s ILE 131 N -1.64 3.30 0.00 1.52 1.10 -1.26 -0.98 121.20 123.24 2kc0 s ILE 131 Ca -0.12 0.57 0.00 0.00 -0.51 0.00 0.00 60.65 60.60 2kc0 s ILE 131 Cb -0.05 -3.10 0.00 0.00 0.15 0.00 0.00 42.46 39.47 2kc0 s ILE 131 CO 0.02 -0.40 0.00 0.61 -2.11 0.00 0.00 174.94 173.05 2kc0 n GLY 132 N -0.67 5.82 3.74 1.50 0.00 0.11 -4.70 105.19 110.98 2kc0 n GLY 132 Ca 0.10 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 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 0.03 6.94 -0.59 1.61 2.15 -1.26 -4.76 116.67 120.79 2kc0 s ASP 133 Ca 0.00 2.37 -0.17 0.00 0.43 0.00 0.00 52.55 55.18 2kc0 s ASP 133 Cb 0.00 -2.61 0.13 0.00 -0.30 0.00 0.00 42.92 40.14 2kc0 s ASP 133 CO 0.00 -0.49 0.61 -0.63 -0.17 0.00 0.00 175.17 174.49 2kc0 s ILE 134 N 0.05 5.07 0.17 4.11 -1.09 -1.26 -3.36 121.20 124.89 2kc0 s ILE 134 Ca 0.56 -1.37 -0.13 0.00 -2.23 0.00 0.00 60.65 57.47 2kc0 s ILE 134 Cb -0.36 -4.42 -0.07 0.00 -1.58 0.00 0.00 42.46 36.03 2kc0 s ILE 134 CO 0.38 -1.00 0.56 0.00 -1.23 0.00 0.00 174.94 173.65 2kc0 s ALA 135 N 1.96 3.56 0.00 9.38 0.00 -0.40 -4.95 121.76 131.30 2kc0 s ALA 135 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2kc0 s ALA 135 Cb -0.26 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2kc0 s ALA 135 CO 0.03 0.46 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2kc0 n GLY 136 N 0.53 2.52 3.75 0.00 0.00 -1.26 -2.59 105.19 108.14 2kc0 n GLY 136 Ca -0.03 -0.71 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 2kc0 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 137 N -1.43 4.50 -0.04 1.61 0.41 -1.26 -5.02 118.70 117.46 2kc0 s GLU 137 Ca 0.00 1.92 0.04 0.00 -0.41 0.00 0.00 54.97 56.52 2kc0 s GLU 137 Cb 0.00 -3.20 -0.00 0.00 -1.78 0.00 0.00 34.13 29.15 2kc0 s GLU 137 CO 0.00 -0.04 -0.14 -3.38 -0.49 0.00 0.00 175.26 171.20 2kc0 s HIS 138 N -0.46 1.44 -0.23 1.61 -3.43 -1.26 -4.87 115.29 108.09 2kc0 s HIS 138 Ca 0.51 -0.40 0.14 0.00 -0.80 0.00 0.00 55.06 54.51 2kc0 s HIS 138 Cb -0.34 -0.98 0.37 0.00 -1.43 0.00 0.00 32.58 30.19 2kc0 s HIS 138 CO 0.40 -0.14 1.31 -2.37 -2.00 0.00 0.00 174.74 171.93 2kc0 n THR 139 N 3.20 0.32 -2.70 -5.38 5.66 -1.26 -4.52 114.28 109.61 2kc0 n THR 139 Ca -0.18 -1.31 -0.06 0.00 -3.05 0.00 0.00 64.05 59.44 2kc0 n THR 139 Cb 0.53 0.99 0.10 0.00 -1.55 0.00 0.00 70.33 70.40 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 -0.85 -1.90 0.12 1.09 3.41 -1.17 -4.85 113.62 109.47 2kc0 n SER 140 Ca -0.11 -2.87 -0.20 0.00 -0.26 0.00 0.00 58.87 55.43 2kc0 n SER 140 Cb 0.85 1.57 -0.14 0.00 -0.26 0.00 0.00 64.21 66.23 2kc0 n SER 140 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 2kc0 h PHE 141 N 2.77 0.73 0.00 7.33 3.57 -1.94 -3.32 116.94 126.08 2kc0 h PHE 141 Ca -0.19 -0.52 0.00 0.00 3.53 0.00 0.00 57.97 60.79 2kc0 h PHE 141 Cb 1.15 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.85 2kc0 h PHE 141 CO 0.08 1.40 0.00 -3.47 -2.23 0.00 0.00 178.31 174.09 2kc0 n ASP 142 N -3.63 0.00 -0.00 0.41 2.03 -1.26 -1.38 116.55 112.72 2kc0 n ASP 142 Ca -0.12 -0.77 0.04 0.00 0.52 0.00 0.00 54.79 54.47 2kc0 n ASP 142 Cb 1.04 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 41.39 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 -0.53 3.56 -2.85 -0.67 4.76 -1.25 -5.00 118.16 116.19 2kc0 n LYS 143 Ca 0.00 -0.01 -0.27 0.00 -2.87 0.00 0.00 58.31 55.16 2kc0 n LYS 143 Cb 0.00 -0.96 -0.01 0.00 -1.84 0.00 0.00 35.03 32.22 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kc0 s LEU 144 N -2.58 3.75 0.53 -0.35 1.02 -0.48 -5.08 118.68 115.50 2kc0 s LEU 144 Ca 0.03 0.84 -0.16 0.00 0.02 0.00 0.00 54.13 54.86 2kc0 s LEU 144 Cb 0.07 -3.76 -0.07 0.00 0.02 0.00 0.00 46.19 42.44 2kc0 s LEU 144 CO 0.37 -0.48 1.00 -2.16 0.02 0.00 0.00 176.35 175.10 2kc0 s PRO 145 N -4.49 3.84 -1.03 1.29 0.04 -1.26 -5.01 135.00 128.38 2kc0 s PRO 145 Ca 0.46 0.97 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 2kc0 s PRO 145 Cb -0.10 -2.12 0.32 0.00 0.04 0.00 0.00 34.50 32.64 2kc0 s PRO 145 CO 0.41 -0.36 1.74 -1.91 0.04 0.00 0.00 177.00 176.92 2kc0 n GLU 146 N -1.73 5.21 -3.60 4.56 2.13 -1.26 -4.93 120.64 121.03 2kc0 n GLU 146 Ca 0.07 -4.65 -0.15 0.00 0.66 0.00 0.00 57.16 53.09 2kc0 n GLU 146 Cb 0.54 -2.48 -0.07 0.00 0.27 0.00 0.00 31.44 29.71 2kc0 n GLU 146 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2kc0 s GLY 147 N -1.48 -0.54 0.00 8.31 0.00 -1.20 -4.36 107.32 108.06 2kc0 s GLY 147 Ca 0.37 1.72 0.00 0.00 0.00 0.00 0.00 44.72 46.82 2kc0 s GLY 147 CO -0.08 1.42 0.00 0.61 0.00 0.00 0.00 173.10 175.06 2kc0 n GLY 148 N 2.06 -1.77 2.86 0.20 0.00 -1.26 -4.41 105.19 102.86 2kc0 n GLY 148 Ca -0.16 -2.06 -0.21 0.00 0.00 0.00 0.00 46.02 43.59 2kc0 n GLY 148 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kc0 s ARG 149 N -0.04 0.83 -0.30 1.61 3.52 -1.26 -1.15 118.95 122.16 2kc0 s ARG 149 Ca 0.00 -0.06 -0.07 0.00 -0.13 0.00 0.00 55.73 55.47 2kc0 s ARG 149 Cb 0.00 -0.93 0.01 0.00 -1.56 0.00 0.00 34.95 32.46 2kc0 s ARG 149 CO 0.00 -0.15 0.09 0.00 -0.81 0.00 0.00 175.30 174.43 2kc0 s ALA 150 N 1.26 3.09 0.18 6.12 0.00 -0.41 -4.92 121.76 127.08 2kc0 s ALA 150 Ca -0.06 -1.45 -0.26 0.00 0.00 0.00 0.00 51.96 50.19 2kc0 s ALA 150 Cb -0.14 -2.18 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 2kc0 s ALA 150 CO -0.02 -0.93 0.80 -0.08 0.00 0.00 0.00 175.76 175.53 2kc0 s THR 151 N 1.51 4.33 0.01 0.00 -1.32 -1.26 -2.06 115.64 116.85 2kc0 s THR 151 Ca 0.03 1.74 -0.05 0.00 -1.21 0.00 0.00 61.69 62.20 2kc0 s THR 151 Cb -0.17 -4.15 -0.01 0.00 -1.51 0.00 0.00 72.50 66.66 2kc0 s THR 151 CO 0.03 0.51 0.09 -0.31 -2.21 0.00 0.00 174.62 172.72 2kc0 s TYR 152 N -1.17 0.12 -0.13 9.09 2.02 -0.21 -4.50 117.35 122.57 2kc0 s TYR 152 Ca 0.37 -0.29 -0.11 0.00 -0.37 0.00 0.00 57.07 56.66 2kc0 s TYR 152 Cb -0.23 -0.10 0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2kc0 s TYR 152 CO 0.27 -0.27 0.34 0.50 -1.57 0.00 0.00 175.55 174.82 2kc0 s ARG 153 N -1.58 0.38 0.16 -0.62 3.00 -1.24 -1.15 118.95 117.90 2kc0 s ARG 153 Ca -0.14 0.52 -0.13 0.00 -1.00 0.00 0.00 55.73 54.98 2kc0 s ARG 153 Cb -0.07 0.14 0.01 0.00 0.00 0.00 0.00 34.95 35.03 2kc0 s ARG 153 CO 0.00 -0.07 0.37 0.20 0.00 0.00 0.00 175.30 175.80 2kc0 s GLY 154 N 0.42 0.11 0.25 8.12 0.00 -0.73 -3.37 107.32 112.13 2kc0 s GLY 154 Ca -0.02 -0.49 -0.28 0.00 0.00 0.00 0.00 44.72 43.94 2kc0 s GLY 154 CO -0.02 -0.55 0.90 -1.59 0.00 0.00 0.00 173.10 171.84 2kc0 s THR 155 N -3.89 4.18 -0.17 0.90 2.01 -0.31 -0.84 115.64 117.52 2kc0 s THR 155 Ca 0.10 1.91 -0.03 0.00 0.31 0.00 0.00 61.69 63.99 2kc0 s THR 155 Cb 0.02 -4.19 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 2kc0 s THR 155 CO -0.04 0.39 -0.05 0.00 -0.69 0.00 0.00 174.62 174.22 2kc0 s ALA 156 N -1.31 2.87 -0.11 7.40 0.00 -1.14 -3.45 121.76 126.01 2kc0 s ALA 156 Ca 0.43 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 2kc0 s ALA 156 Cb -0.23 -1.54 0.04 0.00 0.00 0.00 0.00 23.12 21.39 2kc0 s ALA 156 CO 0.28 0.01 0.04 -0.59 0.00 0.00 0.00 175.76 175.50 2kc0 s PHE 157 N 0.73 0.52 0.29 0.00 -0.71 -1.24 -4.19 117.98 113.38 2kc0 s PHE 157 Ca -0.03 -0.25 -0.19 0.00 -1.04 0.00 0.00 56.93 55.42 2kc0 s PHE 157 Cb -0.15 -0.76 0.06 0.00 -1.21 0.00 0.00 43.02 40.97 2kc0 s PHE 157 CO 0.02 -0.40 0.90 0.20 -1.34 0.00 0.00 175.22 174.60 2kc0 s GLY 158 N 2.02 0.22 0.00 1.99 0.00 -1.26 -0.98 107.32 109.31 2kc0 s GLY 158 Ca 0.03 -0.52 0.11 0.00 0.00 0.00 0.00 44.72 44.34 2kc0 s GLY 158 CO -0.06 0.86 1.32 1.44 0.00 0.00 0.00 173.10 176.67 2kc0 n SER 159 N -1.26 0.00 0.00 1.64 7.64 -1.24 -2.83 113.62 117.57 2kc0 n SER 159 Ca -0.06 0.41 0.00 0.00 1.01 0.00 0.00 58.87 60.23 2kc0 n SER 159 Cb 0.60 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2kc0 n ASP 160 N -1.45 0.00 -0.00 6.43 2.03 -1.26 -4.96 116.55 117.34 2kc0 n ASP 160 Ca 0.03 -0.70 0.09 0.00 0.52 0.00 0.00 54.79 54.74 2kc0 n ASP 160 Cb 0.12 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.00 0.87 -1.38 1.67 9.92 -1.13 -4.74 116.55 121.77 2kc0 n ASP 161 Ca 0.00 -0.90 0.00 0.00 -0.53 0.00 0.00 54.79 53.36 2kc0 n ASP 161 Cb 0.17 1.05 0.00 0.00 -0.64 0.00 0.00 41.12 41.70 2kc0 n ASP 161 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kc0 n ALA 162 N -1.48 2.72 0.00 2.24 0.00 -1.20 -2.21 120.51 120.58 2kc0 n ALA 162 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2kc0 n ALA 162 Cb 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.23 0.73 3.97 0.00 0.00 -1.26 -4.97 105.19 104.89 2kc0 n GLY 163 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kc0 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kc0 s GLY 164 N -0.50 2.01 -0.11 -0.02 0.00 -0.94 -4.84 107.32 102.92 2kc0 s GLY 164 Ca 0.00 -1.79 -0.23 0.00 0.00 0.00 0.00 44.72 42.70 2kc0 s GLY 164 CO 0.00 -1.73 0.55 -1.59 0.00 0.00 0.00 173.10 170.33 2kc0 s LYS 165 N -4.42 0.81 0.33 2.90 0.00 -1.00 -2.89 119.74 115.47 2kc0 s LYS 165 Ca 0.51 0.37 0.08 0.00 0.00 0.00 0.00 55.97 56.93 2kc0 s LYS 165 Cb -0.05 0.38 -0.03 0.00 0.00 0.00 0.00 37.83 38.13 2kc0 s LYS 165 CO 0.31 -0.19 0.23 -0.48 0.00 0.00 0.00 175.35 175.22 2kc0 s LEU 166 N -0.61 3.50 -0.07 2.77 0.05 -0.02 -2.69 118.68 121.61 2kc0 s LEU 166 Ca -0.07 -0.57 0.03 0.00 0.05 0.00 0.00 54.13 53.57 2kc0 s LEU 166 Cb -0.03 -2.06 -0.02 0.00 -2.05 0.00 0.00 46.19 42.03 2kc0 s LEU 166 CO 0.05 -0.30 -0.15 -0.89 -0.55 0.00 0.00 176.35 174.51 2kc0 s THR 167 N -2.33 2.98 0.03 5.48 2.01 -0.31 -1.77 115.64 121.73 2kc0 s THR 167 Ca 0.39 -0.74 0.01 0.00 0.31 0.00 0.00 61.69 61.67 2kc0 s THR 167 Cb -0.05 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2kc0 s THR 167 CO 0.25 0.57 -0.05 -0.47 -0.69 0.00 0.00 174.62 174.23 2kc0 s TYR 168 N -0.42 0.47 0.10 4.92 6.14 -0.30 -1.11 117.35 127.14 2kc0 s TYR 168 Ca 0.05 -0.48 -0.09 0.00 0.64 0.00 0.00 57.07 57.19 2kc0 s TYR 168 Cb -0.12 -0.30 -0.00 0.00 0.42 0.00 0.00 41.96 41.96 2kc0 s TYR 168 CO 0.02 -0.12 0.21 -0.08 0.64 0.00 0.00 175.55 176.22 2kc0 s THR 169 N -1.32 0.13 -0.17 4.34 -1.32 -0.55 -1.05 115.64 115.70 2kc0 s THR 169 Ca -0.12 -1.17 -0.05 0.00 -1.21 0.00 0.00 61.69 59.15 2kc0 s THR 169 Cb -0.09 -1.39 0.08 0.00 -1.51 0.00 0.00 72.50 69.59 2kc0 s THR 169 CO -0.00 -0.58 0.30 -0.51 -2.21 0.00 0.00 174.62 171.61 2kc0 s ILE 170 N -3.87 -0.47 -0.83 5.08 -1.16 -0.88 -1.32 121.20 117.76 2kc0 s ILE 170 Ca 0.06 0.15 -0.25 0.00 -0.51 0.00 0.00 60.65 60.10 2kc0 s ILE 170 Cb 0.04 -0.58 -0.04 0.00 0.61 0.00 0.00 42.46 42.50 2kc0 s ILE 170 CO -0.10 0.02 1.89 -1.81 -2.81 0.00 0.00 174.94 172.14 2kc0 s ASP 171 N 2.46 5.25 0.46 4.50 1.11 -0.43 -1.28 116.67 128.73 2kc0 s ASP 171 Ca 0.03 -0.44 0.17 0.00 0.18 0.00 0.00 52.55 52.50 2kc0 s ASP 171 Cb -0.13 -2.55 1.14 0.00 1.07 0.00 0.00 42.92 42.45 2kc0 s ASP 171 CO -0.11 -2.58 1.98 -0.26 1.18 0.00 0.00 175.17 175.37 2kc0 h PHE 172 N 12.18 0.32 0.00 4.23 -1.00 -1.41 0.17 116.94 131.43 2kc0 h PHE 172 Ca 0.00 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2kc0 h PHE 172 Cb 1.05 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 40.51 2kc0 h PHE 172 CO 1.17 0.14 0.00 0.00 -1.61 0.00 0.00 178.31 178.01 2kc0 n ALA 173 N -2.55 1.97 -0.23 2.45 0.00 -0.52 -3.26 120.51 118.36 2kc0 n ALA 173 Ca 0.10 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kc0 n ALA 173 Cb 0.46 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2kc0 n ALA 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 n ALA 174 N -1.74 1.62 -3.32 0.00 0.00 -0.37 -4.89 120.51 111.81 2kc0 n ALA 174 Ca 0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 2kc0 n ALA 174 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.18 -3.76 -4.34 0.00 5.02 0.46 -5.00 118.16 110.36 2kc0 n LYS 175 Ca 0.00 0.56 -0.30 0.00 -2.02 0.00 0.00 58.31 56.55 2kc0 n LYS 175 Cb 0.06 -5.31 -0.16 0.00 -0.02 0.00 0.00 35.03 29.60 2kc0 n LYS 175 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2kc0 s GLN 176 N -5.98 2.52 0.65 1.97 -1.52 -1.20 -3.51 119.66 112.61 2kc0 s GLN 176 Ca 0.39 -0.66 -0.11 0.00 -1.95 0.00 0.00 55.36 53.03 2kc0 s GLN 176 Cb -0.20 -2.16 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 2kc0 s GLN 176 CO 0.48 -0.12 1.05 0.20 -0.25 0.00 0.00 175.29 176.66 2kc0 s GLY 177 N 1.13 1.65 0.18 3.09 0.00 0.58 -1.32 107.32 112.62 2kc0 s GLY 177 Ca -0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 44.72 44.31 2kc0 s GLY 177 CO -0.06 0.15 0.96 0.21 0.00 0.00 0.00 173.10 174.36 2kc0 s ASN 178 N -4.21 -0.14 0.00 1.64 3.84 -0.43 -1.32 114.94 114.33 2kc0 s ASN 178 Ca 0.56 -0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.13 2kc0 s ASN 178 Cb -0.11 0.52 0.00 0.00 -0.55 0.00 0.00 41.25 41.11 2kc0 s ASN 178 CO 0.53 -0.98 0.00 0.61 -2.79 0.00 0.00 177.10 174.48 2kc0 n GLY 179 N -0.52 2.22 3.65 1.21 0.00 -1.26 -1.48 105.19 109.01 2kc0 n GLY 179 Ca -0.06 -0.70 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 2kc0 n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kc0 s LYS 180 N 1.02 0.16 -0.20 1.61 -2.85 -0.27 -3.70 119.74 115.50 2kc0 s LYS 180 Ca 0.00 0.18 -0.11 0.00 -1.00 0.00 0.00 55.97 55.05 2kc0 s LYS 180 Cb 0.00 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.80 2kc0 s LYS 180 CO 0.00 -0.02 0.16 0.42 0.10 0.00 0.00 175.35 176.01 2kc0 s ILE 181 N 0.03 5.38 0.34 3.79 -1.09 -0.66 -1.16 121.20 127.83 2kc0 s ILE 181 Ca 0.06 0.24 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 2kc0 s ILE 181 Cb -0.05 -3.50 -0.01 0.00 -1.58 0.00 0.00 42.46 37.32 2kc0 s ILE 181 CO -0.13 0.41 0.40 -0.62 -1.23 0.00 0.00 174.94 173.76 2kc0 n GLU 182 N 3.69 0.57 -3.44 2.79 1.02 -1.10 -1.98 120.64 122.20 2kc0 n GLU 182 Ca -0.15 -3.03 -0.20 0.00 -0.02 0.00 0.00 57.16 53.76 2kc0 n GLU 182 Cb 0.52 2.71 0.07 0.00 -0.02 0.00 0.00 31.44 34.72 2kc0 n GLU 182 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kc0 n HIS 183 N -0.60 -2.46 -3.09 -0.32 -0.00 -1.26 -2.38 115.22 105.11 2kc0 n HIS 183 Ca 0.04 0.89 -0.23 0.00 0.46 0.00 0.00 57.72 58.88 2kc0 n HIS 183 Cb 0.59 -4.58 0.01 0.00 -0.12 0.00 0.00 29.99 25.89 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 -6.45 3.74 0.45 0.27 2.01 -1.26 -3.98 118.68 113.45 2kc0 s LEU 184 Ca 0.45 0.30 0.15 0.00 0.01 0.00 0.00 54.13 55.03 2kc0 s LEU 184 Cb -0.20 -3.18 1.06 0.00 0.01 0.00 0.00 46.19 43.89 2kc0 s LEU 184 CO 0.64 -0.60 1.99 0.07 1.01 0.00 0.00 176.35 179.46 2kc0 h LYS 185 N 0.50 0.35 -4.50 1.70 2.10 -1.95 -3.43 116.57 111.34 2kc0 h LYS 185 Ca -0.47 -0.02 -0.23 0.00 -2.00 0.00 0.00 60.65 57.93 2kc0 h LYS 185 Cb 1.25 -0.08 -0.18 0.00 -0.90 0.00 0.00 32.23 32.31 2kc0 h LYS 185 CO 0.58 0.23 -0.71 -1.12 -2.00 0.00 0.00 179.45 176.43 2kc0 s SER 186 N -6.30 0.85 0.24 7.07 0.01 -1.26 -5.10 113.70 109.21 2kc0 s SER 186 Ca -0.07 -0.75 0.09 0.00 1.31 0.00 0.00 55.95 56.53 2kc0 s SER 186 Cb 0.19 0.08 0.22 0.00 0.21 0.00 0.00 66.02 66.73 2kc0 s SER 186 CO 0.74 -0.35 1.53 1.55 0.41 0.00 0.00 173.24 177.13 2kc0 h PRO 187 N 3.84 0.01 0.00 12.44 0.13 -1.99 -2.96 132.00 143.47 2kc0 h PRO 187 Ca -0.35 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2kc0 h PRO 187 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kc0 h PRO 187 CO 0.52 0.71 0.00 1.49 -0.23 0.00 0.00 178.00 180.49 2kc0 h GLU 188 N 0.01 0.00 0.00 0.86 4.81 -1.98 -2.45 114.58 115.83 2kc0 h GLU 188 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kc0 h GLU 188 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 2kc0 h GLU 188 CO 0.09 0.00 -0.11 -0.07 -0.73 0.00 0.00 179.01 178.19 2kc0 h LEU 189 N 0.00 0.00 -8.93 1.64 -0.00 -1.87 -3.37 115.31 102.77 2kc0 h LEU 189 Ca 0.00 -0.03 -0.57 0.00 -0.00 0.00 0.00 57.88 57.28 2kc0 h LEU 189 Cb 0.16 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.78 2kc0 h LEU 189 CO 0.00 0.01 1.10 0.20 -0.00 0.00 0.00 178.44 179.76 2kc0 s ASN 190 N -4.88 6.36 0.07 -0.43 0.02 -0.92 -4.70 114.94 110.46 2kc0 s ASN 190 Ca 0.09 1.28 0.07 0.00 -1.02 0.00 0.00 52.86 53.29 2kc0 s ASN 190 Cb 0.11 -2.53 -0.04 0.00 0.02 0.00 0.00 41.25 38.81 2kc0 s ASN 190 CO 0.64 -1.33 -0.16 0.68 0.02 0.00 0.00 177.10 176.94 2kc0 s VAL 191 N 5.34 2.94 0.58 1.60 -7.23 -0.84 -4.94 120.40 117.84 2kc0 s VAL 191 Ca 0.67 -1.26 -0.19 0.00 -1.81 0.00 0.00 61.98 59.39 2kc0 s VAL 191 Cb -0.20 -2.29 -0.04 0.00 0.56 0.00 0.00 36.38 34.41 2kc0 s VAL 191 CO 0.29 0.24 1.17 -1.81 -0.31 0.00 0.00 175.10 174.68 2kc0 s ASP 192 N -1.74 5.37 -0.14 4.85 1.01 -1.26 -1.66 116.67 123.10 2kc0 s ASP 192 Ca 0.17 2.26 -0.02 0.00 0.71 0.00 0.00 52.55 55.66 2kc0 s ASP 192 Cb -0.11 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 2kc0 s ASP 192 CO 0.08 -1.46 -0.06 -0.22 0.21 0.00 0.00 175.17 173.72 2kc0 s LEU 193 N -4.06 3.12 -0.30 1.23 2.96 -1.24 -3.99 118.68 116.38 2kc0 s LEU 193 Ca 0.74 -0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 2kc0 s LEU 193 Cb -0.27 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.68 2kc0 s LEU 193 CO 0.32 0.18 1.46 0.00 -1.32 0.00 0.00 176.35 176.98 2kc0 s ALA 194 N 0.26 3.23 0.23 5.97 0.00 -0.84 -4.28 121.76 126.33 2kc0 s ALA 194 Ca -0.05 0.16 -0.31 0.00 0.00 0.00 0.00 51.96 51.76 2kc0 s ALA 194 Cb -0.14 -3.85 -0.14 0.00 0.00 0.00 0.00 23.12 18.98 2kc0 s ALA 194 CO 0.04 -2.03 1.30 0.00 0.00 0.00 0.00 175.76 175.06 2kc0 n ALA 195 N 8.34 0.47 -3.33 0.00 0.00 -1.26 -4.08 120.51 120.64 2kc0 n ALA 195 Ca 0.17 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.90 2kc0 n ALA 195 Cb 0.46 -2.18 -0.14 0.00 0.00 0.00 0.00 19.45 17.60 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 -0.24 -0.24 0.68 0.00 0.00 -0.43 -4.95 121.76 116.58 2kc0 s ALA 196 Ca 0.68 0.45 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 2kc0 s ALA 196 Cb -0.71 -0.29 0.08 0.00 0.00 0.00 0.00 23.12 22.20 2kc0 s ALA 196 CO 0.52 -0.10 0.96 0.16 0.00 0.00 0.00 175.76 177.30 2kc0 s ASP 197 N 0.56 4.74 0.17 0.00 -4.77 -1.26 -0.31 116.67 115.80 2kc0 s ASP 197 Ca -0.04 0.14 -0.31 0.00 -3.30 0.00 0.00 52.55 49.04 2kc0 s ASP 197 Cb -0.06 -0.77 -0.10 0.00 -1.09 0.00 0.00 42.92 40.90 2kc0 s ASP 197 CO -0.02 -1.59 1.53 -0.63 0.70 0.00 0.00 175.17 175.16 2kc0 s ILE 198 N -3.13 2.68 0.03 2.11 -1.09 -1.23 -4.20 121.20 116.37 2kc0 s ILE 198 Ca 0.61 0.50 0.01 0.00 -2.23 0.00 0.00 60.65 59.54 2kc0 s ILE 198 Cb -0.09 -3.32 -0.02 0.00 -1.58 0.00 0.00 42.46 37.45 2kc0 s ILE 198 CO 0.43 0.04 -0.05 -1.59 -1.23 0.00 0.00 174.94 172.54 2kc0 s LYS 199 N 0.90 0.42 0.22 2.79 0.00 -1.12 -5.04 119.74 117.92 2kc0 s LYS 199 Ca 0.68 -0.68 -0.30 0.00 0.00 0.00 0.00 55.97 55.67 2kc0 s LYS 199 Cb -0.43 -0.10 -0.09 0.00 0.00 0.00 0.00 37.83 37.21 2kc0 s LYS 199 CO 0.33 0.00 1.34 -1.25 0.00 0.00 0.00 175.35 175.77 2kc0 s PRO 200 N -1.50 4.36 0.00 1.78 0.04 -1.26 -4.20 135.00 134.22 2kc0 s PRO 200 Ca -0.13 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.04 2kc0 s PRO 200 Cb -0.10 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2kc0 s PRO 200 CO -0.00 -0.28 0.00 -0.25 0.04 0.00 0.00 177.00 176.51 2kc0 n ASP 201 N 2.38 0.00 -4.71 6.66 8.00 -1.26 -5.06 116.55 122.56 2kc0 n ASP 201 Ca 0.06 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.14 2kc0 n ASP 201 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.49 2kc0 n ASP 201 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2kc0 s GLY 202 N -0.87 2.67 0.63 0.44 0.00 -1.23 -4.94 107.32 104.03 2kc0 s GLY 202 Ca 0.00 0.66 0.32 0.00 0.00 0.00 0.00 44.72 45.70 2kc0 s GLY 202 CO 0.00 1.85 2.04 0.07 0.00 0.00 0.00 173.10 177.06 2kc0 h LYS 203 N 6.83 0.00 0.00 2.90 2.10 -1.99 -3.16 116.57 123.25 2kc0 h LYS 203 Ca -0.41 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.16 2kc0 h LYS 203 Cb 1.21 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 32.46 2kc0 h LYS 203 CO 0.78 0.00 -0.18 2.89 -2.00 0.00 0.00 179.45 180.94 2kc0 n ARG 204 N -3.29 0.01 -4.02 0.07 1.85 -1.26 -5.16 116.66 104.86 2kc0 n ARG 204 Ca 0.00 -0.63 -0.11 0.00 -1.00 0.00 0.00 57.85 56.11 2kc0 n ARG 204 Cb 0.36 0.50 -0.04 0.00 -1.05 0.00 0.00 32.46 32.22 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 0.00 0.62 0.45 2.89 -3.43 -1.20 -3.01 115.29 111.62 2kc0 s HIS 205 Ca 0.00 -0.96 0.06 0.00 -0.80 0.00 0.00 55.06 53.36 2kc0 s HIS 205 Cb 0.00 0.13 -0.02 0.00 -1.43 0.00 0.00 32.58 31.27 2kc0 s HIS 205 CO -0.00 -1.09 0.27 0.00 -2.00 0.00 0.00 174.74 171.91 2kc0 s ALA 206 N -3.49 3.93 0.01 -1.38 0.00 -1.26 -3.52 121.76 116.05 2kc0 s ALA 206 Ca 0.25 -1.74 -0.08 0.00 0.00 0.00 0.00 51.96 50.40 2kc0 s ALA 206 Cb -0.01 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2kc0 s ALA 206 CO 0.13 -0.24 0.15 0.08 0.00 0.00 0.00 175.76 175.88 2kc0 s VAL 207 N -2.64 0.09 -0.10 0.00 1.01 -1.26 -4.34 120.40 113.16 2kc0 s VAL 207 Ca 0.38 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.69 2kc0 s VAL 207 Cb 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.90 2kc0 s VAL 207 CO 0.22 -0.39 -0.23 -0.63 0.00 0.00 0.00 175.10 174.06 2kc0 s ILE 208 N -1.50 2.02 -0.05 2.22 -1.09 -0.53 -2.79 121.20 119.47 2kc0 s ILE 208 Ca -0.14 -1.00 -0.02 0.00 -2.23 0.00 0.00 60.65 57.26 2kc0 s ILE 208 Cb -0.07 -1.75 0.04 0.00 -1.58 0.00 0.00 42.46 39.10 2kc0 s ILE 208 CO 0.01 0.55 0.09 -0.55 -1.23 0.00 0.00 174.94 173.82 2kc0 s SER 209 N 0.35 1.01 0.00 3.58 0.15 -1.26 -1.69 113.70 115.84 2kc0 s SER 209 Ca -0.19 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.63 2kc0 s SER 209 Cb -0.18 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2kc0 s SER 209 CO 0.09 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2kc0 n GLY 210 N 5.30 3.96 3.48 9.45 0.00 -0.48 -4.75 105.19 122.15 2kc0 n GLY 210 Ca -0.04 -1.37 -0.27 0.00 0.00 0.00 0.00 46.02 44.35 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 0.03 3.77 -0.12 1.61 0.01 -1.26 -1.19 113.70 116.55 2kc0 s SER 211 Ca 0.00 -0.75 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 2kc0 s SER 211 Cb 0.00 -0.45 0.04 0.00 0.21 0.00 0.00 66.02 65.82 2kc0 s SER 211 CO 0.00 0.11 -0.00 -0.69 0.41 0.00 0.00 173.24 173.07 2kc0 s VAL 212 N -1.70 0.59 -0.18 3.43 1.01 -0.84 -1.98 120.40 120.73 2kc0 s VAL 212 Ca 0.23 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.81 2kc0 s VAL 212 Cb -0.08 -0.84 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2kc0 s VAL 212 CO 0.12 0.12 0.45 -0.22 0.00 0.00 0.00 175.10 175.57 2kc0 s LEU 213 N 1.86 4.18 -0.26 3.92 1.98 -1.26 -0.59 118.68 128.52 2kc0 s LEU 213 Ca 0.03 0.63 -0.03 0.00 -2.89 0.00 0.00 54.13 51.87 2kc0 s LEU 213 Cb -0.14 -2.61 0.03 0.00 0.66 0.00 0.00 46.19 44.13 2kc0 s LEU 213 CO -0.07 -0.09 -0.03 -0.47 -1.89 0.00 0.00 176.35 173.80 2kc0 s TYR 214 N 1.25 3.10 -1.30 5.38 5.04 0.23 -4.56 117.35 126.49 2kc0 s TYR 214 Ca 0.22 -1.49 -0.07 0.00 -2.44 0.00 0.00 57.07 53.29 2kc0 s TYR 214 Cb -0.15 -2.10 0.05 0.00 0.35 0.00 0.00 41.96 40.11 2kc0 s TYR 214 CO 0.09 -0.71 0.44 -1.71 -1.34 0.00 0.00 175.55 172.31 2kc0 n ASN 215 N 4.70 -4.23 -2.68 4.32 5.15 -1.26 -1.06 115.26 120.19 2kc0 n ASN 215 Ca -0.16 -0.28 -0.19 0.00 -0.60 0.00 0.00 54.58 53.36 2kc0 n ASN 215 Cb 0.47 -3.49 0.04 0.00 -0.53 0.00 0.00 39.78 36.27 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 -3.64 -4.98 -0.55 1.20 1.13 -1.26 -4.91 117.38 104.36 2kc0 n GLN 216 Ca -0.06 0.71 0.00 0.00 -1.94 0.00 0.00 57.00 55.71 2kc0 n GLN 216 Cb 0.57 -5.23 0.00 0.00 0.11 0.00 0.00 30.24 25.69 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 -3.75 0.00 -0.84 -1.58 0.00 -0.22 -5.18 120.51 108.94 2kc0 n ALA 217 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.41 2kc0 n ALA 217 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.33 -3.30 0.00 4.71 -1.26 -0.60 120.64 119.87 2kc0 n GLU 218 Ca 0.00 0.22 -0.16 0.00 -0.01 0.00 0.00 57.16 57.21 2kc0 n GLU 218 Cb 0.00 -0.40 -0.07 0.00 -1.01 0.00 0.00 31.44 29.96 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2kc0 s LYS 219 N -0.28 0.73 0.46 3.49 2.20 -1.26 -4.59 119.74 120.49 2kc0 s LYS 219 Ca 0.00 -1.01 0.02 0.00 -0.36 0.00 0.00 55.97 54.62 2kc0 s LYS 219 Cb 0.00 -0.70 0.09 0.00 -1.51 0.00 0.00 37.83 35.71 2kc0 s LYS 219 CO 0.00 -1.23 0.63 0.41 -0.36 0.00 0.00 175.35 174.80 2kc0 n GLY 220 N 3.94 1.05 3.26 5.54 0.00 0.25 -3.88 105.19 115.36 2kc0 n GLY 220 Ca 0.14 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2kc0 n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kc0 s SER 221 N -3.64 -0.34 0.02 1.61 1.04 -0.64 -1.99 113.70 109.76 2kc0 s SER 221 Ca 0.43 0.58 -0.00 0.00 0.48 0.00 0.00 55.95 57.45 2kc0 s SER 221 Cb -0.03 0.64 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 2kc0 s SER 221 CO 0.28 -0.22 -0.03 -0.72 0.98 0.00 0.00 173.24 173.54 2kc0 s TYR 222 N -0.21 0.28 -0.02 5.02 1.13 -0.33 -0.78 117.35 122.44 2kc0 s TYR 222 Ca -0.04 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.07 2kc0 s TYR 222 Cb -0.03 -0.20 0.02 0.00 -1.10 0.00 0.00 41.96 40.64 2kc0 s TYR 222 CO 0.02 -0.20 -0.01 -1.12 -2.51 0.00 0.00 175.55 171.72 2kc0 s SER 223 N -1.55 0.40 0.11 -0.18 0.01 -0.13 -1.38 113.70 110.98 2kc0 s SER 223 Ca -0.15 -0.04 -0.08 0.00 1.31 0.00 0.00 55.95 57.00 2kc0 s SER 223 Cb -0.09 -0.15 -0.01 0.00 0.21 0.00 0.00 66.02 65.98 2kc0 s SER 223 CO -0.02 -0.04 0.19 -1.48 0.41 0.00 0.00 173.24 172.30 2kc0 s LEU 224 N 0.58 1.39 0.34 2.44 0.05 -0.68 -1.19 118.68 121.61 2kc0 s LEU 224 Ca -0.06 -0.78 0.06 0.00 0.05 0.00 0.00 54.13 53.40 2kc0 s LEU 224 Cb -0.09 0.97 -0.07 0.00 -2.05 0.00 0.00 46.19 44.96 2kc0 s LEU 224 CO -0.01 -0.77 0.01 -0.83 -0.55 0.00 0.00 176.35 174.20 2kc0 s GLY 225 N -2.91 2.13 0.02 -3.48 0.00 -0.52 -1.46 107.32 101.10 2kc0 s GLY 225 Ca 0.10 -2.09 -0.08 0.00 0.00 0.00 0.00 44.72 42.65 2kc0 s GLY 225 CO -0.07 -1.91 0.31 -0.42 0.00 0.00 0.00 173.10 171.01 2kc0 s ILE 226 N -3.05 5.24 0.39 0.90 1.01 -1.26 -2.23 121.20 122.20 2kc0 s ILE 226 Ca 0.34 0.31 0.03 0.00 0.00 0.00 0.00 60.65 61.34 2kc0 s ILE 226 Cb 0.08 -3.59 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 2kc0 s ILE 226 CO 0.15 0.39 0.09 -0.36 0.00 0.00 0.00 174.94 175.21 2kc0 s PHE 227 N -1.28 1.86 0.02 3.97 0.40 -0.23 -4.88 117.98 117.85 2kc0 s PHE 227 Ca 0.28 -1.13 0.00 0.00 -0.60 0.00 0.00 56.93 55.47 2kc0 s PHE 227 Cb -0.14 -1.25 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2kc0 s PHE 227 CO 0.15 -0.13 0.00 0.41 0.70 0.00 0.00 175.22 176.35 2kc0 n GLY 228 N -0.87 -2.03 0.01 4.36 0.00 -1.26 -2.29 105.19 103.10 2kc0 n GLY 228 Ca -0.06 -1.40 0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.65 -1.37 2.73 -0.02 0.00 -1.26 -4.56 105.19 100.07 2kc0 n GLY 229 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 2kc0 n GLY 229 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 230 N -1.55 0.96 -3.03 1.61 2.85 -1.26 -5.01 118.16 112.73 2kc0 n LYS 230 Ca 0.06 -1.88 -0.21 0.00 -1.05 0.00 0.00 58.31 55.23 2kc0 n LYS 230 Cb 0.34 -1.13 0.01 0.00 -0.65 0.00 0.00 35.03 33.61 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kc0 n ALA 231 N 0.66 -0.96 0.02 0.58 0.00 -1.19 -4.89 120.51 114.73 2kc0 n ALA 231 Ca 0.07 0.18 -0.00 0.00 0.00 0.00 0.00 53.44 53.68 2kc0 n ALA 231 Cb 0.68 -3.04 0.29 0.00 0.00 0.00 0.00 19.45 17.38 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kc0 h GLN 232 N -0.95 0.48 -3.40 0.00 1.08 -1.78 -3.43 115.11 107.11 2kc0 h GLN 232 Ca -0.46 -0.12 -0.01 0.00 -1.45 0.00 0.00 58.65 56.61 2kc0 h GLN 232 Cb 1.32 -0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 28.61 2kc0 h GLN 232 CO 0.53 0.55 0.01 -1.83 -0.95 0.00 0.00 178.83 177.14 2kc0 s GLU 233 N -4.86 1.61 -0.00 1.46 1.03 -1.25 -1.22 118.70 115.45 2kc0 s GLU 233 Ca -0.07 -1.12 0.02 0.00 0.03 0.00 0.00 54.97 53.83 2kc0 s GLU 233 Cb 0.15 0.52 -0.01 0.00 -0.80 0.00 0.00 34.13 34.00 2kc0 s GLU 233 CO 0.76 -0.69 -0.08 0.14 -1.33 0.00 0.00 175.26 174.06 2kc0 s VAL 234 N -3.97 0.63 0.09 1.83 -7.23 0.13 -1.06 120.40 110.82 2kc0 s VAL 234 Ca 0.17 -0.38 -0.12 0.00 -1.81 0.00 0.00 61.98 59.84 2kc0 s VAL 234 Cb -0.02 -0.54 0.02 0.00 0.56 0.00 0.00 36.38 36.40 2kc0 s VAL 234 CO 0.07 0.15 0.29 0.00 -0.31 0.00 0.00 175.10 175.30 2kc0 s ALA 235 N -0.24 -0.56 0.00 1.32 0.00 -0.95 -2.96 121.76 118.37 2kc0 s ALA 235 Ca 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.68 2kc0 s ALA 235 Cb -0.03 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.62 2kc0 s ALA 235 CO -0.00 -0.54 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2kc0 n GLY 236 N -0.01 -0.52 3.19 0.00 0.00 -1.26 -1.44 105.19 105.15 2kc0 n GLY 236 Ca -0.16 -0.50 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.01 0.05 1.61 1.04 -0.33 -2.50 113.70 109.55 2kc0 s SER 237 Ca 0.00 -0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.20 2kc0 s SER 237 Cb 0.00 0.29 -0.02 0.00 0.10 0.00 0.00 66.02 66.39 2kc0 s SER 237 CO 0.00 -0.53 -0.12 0.00 0.98 0.00 0.00 173.24 173.57 2kc0 s ALA 238 N -2.27 1.01 -0.18 5.32 0.00 -0.17 -0.95 121.76 124.51 2kc0 s ALA 238 Ca -0.07 -0.82 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 2kc0 s ALA 238 Cb -0.02 -0.11 0.05 0.00 0.00 0.00 0.00 23.12 23.03 2kc0 s ALA 238 CO -0.02 0.16 -0.04 -1.21 0.00 0.00 0.00 175.76 174.65 2kc0 s GLU 239 N -1.31 1.33 -0.33 0.00 8.01 0.04 -0.39 118.70 126.05 2kc0 s GLU 239 Ca -0.01 -0.58 -0.14 0.00 0.01 0.00 0.00 54.97 54.24 2kc0 s GLU 239 Cb -0.08 -2.12 -0.02 0.00 -4.31 0.00 0.00 34.13 27.60 2kc0 s GLU 239 CO 0.01 -0.50 0.31 0.54 0.01 0.00 0.00 175.26 175.64 2kc0 s VAL 240 N 1.63 5.22 -0.15 2.63 0.11 -0.17 -1.62 120.40 128.05 2kc0 s VAL 240 Ca -0.01 -0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 2kc0 s VAL 240 Cb -0.16 -3.76 -0.05 0.00 -1.53 0.00 0.00 36.38 30.88 2kc0 s VAL 240 CO -0.07 -0.03 0.17 -1.59 -3.33 0.00 0.00 175.10 170.25 2kc0 s LYS 241 N 1.91 3.89 0.29 1.54 -2.85 -1.25 -0.85 119.74 122.40 2kc0 s LYS 241 Ca 0.10 -0.10 -0.00 0.00 -1.00 0.00 0.00 55.97 54.96 2kc0 s LYS 241 Cb -0.17 -3.32 -0.02 0.00 -2.06 0.00 0.00 37.83 32.27 2kc0 s LYS 241 CO 0.11 0.51 0.32 0.95 0.10 0.00 0.00 175.35 177.34 2kc0 s THR 242 N -0.27 0.00 0.56 3.79 -4.23 -0.00 -4.08 115.64 111.41 2kc0 s THR 242 Ca 0.13 -1.80 0.39 0.00 -1.18 0.00 0.00 61.69 59.23 2kc0 s THR 242 Cb -0.12 -2.51 0.41 0.00 1.34 0.00 0.00 72.50 71.62 2kc0 s THR 242 CO 0.02 0.00 2.28 -0.37 -0.54 0.00 0.00 174.62 176.01 2kc0 h VAL 243 N 2.27 0.17 -0.05 2.29 -1.51 -2.03 -0.53 116.25 116.87 2kc0 h VAL 243 Ca -0.29 -0.11 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 2kc0 h VAL 243 Cb 1.24 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2kc0 h VAL 243 CO 0.41 0.01 0.00 0.59 -1.23 0.00 0.00 177.57 177.36 2kc0 n ASN 244 N -3.30 0.43 0.00 4.19 3.02 -1.26 -5.05 115.26 113.29 2kc0 n ASN 244 Ca -0.02 -1.54 0.00 0.00 -0.03 0.00 0.00 54.58 52.98 2kc0 n ASN 244 Cb 0.12 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 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 0.85 -1.67 3.69 7.41 0.00 -0.21 -4.95 105.19 110.32 2kc0 n GLY 245 Ca 0.13 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 2kc0 n GLY 245 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kc0 s ILE 246 N 0.00 5.18 -0.28 -0.61 2.07 -1.26 -0.82 121.20 125.48 2kc0 s ILE 246 Ca 0.00 0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.23 2kc0 s ILE 246 Cb 0.00 -3.36 -0.05 0.00 0.13 0.00 0.00 42.46 39.19 2kc0 s ILE 246 CO 0.00 0.44 0.21 -0.13 -1.91 0.00 0.00 174.94 173.56 2kc0 s ARG 247 N 0.39 3.97 0.19 3.50 3.00 -0.03 -4.98 118.95 124.99 2kc0 s ARG 247 Ca 0.06 -0.26 -0.28 0.00 0.00 0.00 0.00 55.73 55.25 2kc0 s ARG 247 Cb -0.12 -3.65 -0.08 0.00 0.00 0.00 0.00 34.95 31.10 2kc0 s ARG 247 CO -0.01 -0.18 0.88 -1.01 0.00 0.00 0.00 175.30 174.98 2kc0 s HIS 248 N 1.76 3.93 -0.05 -0.53 3.76 -1.26 -1.00 115.29 121.90 2kc0 s HIS 248 Ca 0.08 1.79 0.05 0.00 -0.15 0.00 0.00 55.06 56.83 2kc0 s HIS 248 Cb -0.16 -2.91 -0.00 0.00 1.11 0.00 0.00 32.58 30.61 2kc0 s HIS 248 CO 0.10 0.44 -0.19 0.42 -0.85 0.00 0.00 174.74 174.66 2kc0 s ILE 249 N -0.97 1.56 0.24 0.60 1.01 0.48 -3.65 121.20 120.47 2kc0 s ILE 249 Ca 0.40 -0.79 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 2kc0 s ILE 249 Cb -0.24 -1.34 -0.08 0.00 0.01 0.00 0.00 42.46 40.81 2kc0 s ILE 249 CO 0.29 0.45 0.60 -0.83 0.00 0.00 0.00 174.94 175.46 2kc0 s GLY 250 N -0.01 2.34 -0.14 6.18 0.00 -0.15 -1.00 107.32 114.52 2kc0 s GLY 250 Ca -0.04 -0.15 -0.05 0.00 0.00 0.00 0.00 44.72 44.48 2kc0 s GLY 250 CO 0.02 0.04 0.05 1.08 0.00 0.00 0.00 173.10 174.29 2kc0 s LEU 251 N -2.69 3.80 -0.30 0.66 2.01 -1.04 -3.60 118.68 117.52 2kc0 s LEU 251 Ca 0.47 0.15 -0.00 0.00 0.01 0.00 0.00 54.13 54.77 2kc0 s LEU 251 Cb -0.12 -1.92 0.14 0.00 0.01 0.00 0.00 46.19 44.30 2kc0 s LEU 251 CO 0.20 0.28 0.31 0.00 1.01 0.00 0.00 176.35 178.14 2kc0 s ALA 252 N -0.26 -0.50 -0.06 4.21 0.00 -1.22 -4.18 121.76 119.74 2kc0 s ALA 252 Ca 0.08 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.68 2kc0 s ALA 252 Cb -0.12 -1.83 0.03 0.00 0.00 0.00 0.00 23.12 21.20 2kc0 s ALA 252 CO 0.02 -1.74 0.13 0.00 0.00 0.00 0.00 175.76 174.17 2kc0 s ALA 253 N 2.31 -0.24 0.21 0.00 0.00 -1.16 -1.16 121.76 121.73 2kc0 s ALA 253 Ca 0.10 0.61 0.10 0.00 0.00 0.00 0.00 51.96 52.77 2kc0 s ALA 253 Cb -0.14 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2kc0 s ALA 253 CO -0.31 -0.14 -0.09 0.21 0.00 0.00 0.00 175.76 175.43 2kc0 s LYS 254 N 1.04 2.05 0.00 0.00 2.20 -1.22 -0.69 119.74 123.12 2kc0 s LYS 254 Ca -0.08 -1.38 0.00 0.00 -0.36 0.00 0.00 55.97 54.15 2kc0 s LYS 254 Cb -0.10 -2.10 0.00 0.00 -1.51 0.00 0.00 37.83 34.12 2kc0 s LYS 254 CO -0.05 0.40 0.27 0.94 -0.36 0.00 0.00 175.35 176.56