#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 -0.11 0.26 0.00 0.00 -1.26 -3.78 105.19 100.30 2kc0 n GLY 15 Ca 0.00 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.19 2kc0 n GLY 15 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2kc0 h LEU 16 N 0.00 0.00 -0.89 0.99 -0.00 -1.97 -2.63 115.31 110.82 2kc0 h LEU 16 Ca 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 57.88 58.09 2kc0 h LEU 16 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 40.66 40.54 2kc0 h LEU 16 CO 0.00 0.00 0.39 0.00 -0.00 0.00 0.00 178.44 178.83 2kc0 h ALA 17 N 2.04 1.40 -0.34 0.17 0.00 -1.82 -2.75 119.26 117.96 2kc0 h ALA 17 Ca 0.00 0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2kc0 h ALA 17 Cb 0.19 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2kc0 h ALA 17 CO 0.00 -0.31 0.04 0.22 0.00 0.00 0.00 179.25 179.20 2kc0 h ASP 18 N 0.42 -0.05 0.12 0.00 3.58 -1.81 -1.84 116.42 116.84 2kc0 h ASP 18 Ca 0.54 0.06 0.00 0.00 0.42 0.00 0.00 57.03 58.06 2kc0 h ASP 18 Cb 1.01 0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2kc0 h ASP 18 CO -0.51 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 175.86 2kc0 n ALA 19 N -2.43 1.91 -0.05 -0.78 0.00 -1.04 -0.54 120.51 117.58 2kc0 n ALA 19 Ca 0.01 -0.08 -0.18 0.00 0.00 0.00 0.00 53.44 53.20 2kc0 n ALA 19 Cb 0.16 -1.23 -0.13 0.00 0.00 0.00 0.00 19.45 18.25 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 -1.14 2.32 0.11 0.00 7.99 -0.70 -4.59 117.00 120.98 2kc0 n LEU 20 Ca 0.09 0.10 -0.20 0.00 -0.01 0.00 0.00 56.01 55.98 2kc0 n LEU 20 Cb 0.08 -0.76 -0.15 0.00 -0.11 0.00 0.00 43.42 42.48 2kc0 n LEU 20 CO 0.09 0.80 -0.22 0.71 -1.51 0.00 0.00 177.39 177.26 2kc0 h THR 21 N 0.03 1.30 -2.35 -5.08 1.35 -1.25 -3.46 112.91 103.44 2kc0 h THR 21 Ca -0.47 -2.82 -0.59 0.00 -0.55 0.00 0.00 66.41 61.97 2kc0 h THR 21 Cb 2.01 2.93 -0.12 0.00 -1.73 0.00 0.00 68.15 71.24 2kc0 h THR 21 CO 0.02 0.85 -0.71 0.00 -0.25 0.00 0.00 175.52 175.43 2kc0 s ALA 22 N -2.62 2.93 0.83 6.62 0.00 0.30 -5.13 121.76 124.69 2kc0 s ALA 22 Ca -0.08 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.04 2kc0 s ALA 22 Cb 0.06 -0.53 0.09 0.00 0.00 0.00 0.00 23.12 22.74 2kc0 s ALA 22 CO 0.90 0.30 1.09 -1.25 0.00 0.00 0.00 175.76 176.80 2kc0 s PRO 23 N -3.45 1.82 0.00 0.00 0.04 -1.26 -4.51 135.00 127.63 2kc0 s PRO 23 Ca 0.29 0.90 0.00 0.00 0.04 0.00 0.00 61.00 62.23 2kc0 s PRO 23 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2kc0 s PRO 23 CO 0.17 -1.87 0.00 -0.11 0.04 0.00 0.00 177.00 175.22 2kc0 n LEU 24 N -3.64 0.00 -4.76 -3.56 0.00 -1.26 -4.93 117.00 98.85 2kc0 n LEU 24 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 56.01 55.68 2kc0 n LEU 24 Cb 0.55 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.92 2kc0 n LEU 24 CO 0.55 0.00 0.77 -1.81 0.00 0.00 0.00 177.39 176.90 2kc0 s ASP 25 N 0.29 7.32 -0.88 1.96 1.01 -1.26 -5.00 116.67 120.12 2kc0 s ASP 25 Ca 0.00 2.21 0.01 0.00 0.71 0.00 0.00 52.55 55.47 2kc0 s ASP 25 Cb 0.00 -2.62 0.28 0.00 1.01 0.00 0.00 42.92 41.59 2kc0 s ASP 25 CO 0.00 -0.10 1.15 1.57 0.21 0.00 0.00 175.17 178.01 2kc0 n HIS 26 N 1.21 2.88 -0.04 4.23 -0.00 -1.26 -4.61 115.22 117.64 2kc0 n HIS 26 Ca -0.01 -3.29 0.00 0.00 -0.00 0.00 0.00 57.72 54.42 2kc0 n HIS 26 Cb 0.45 -0.93 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 2kc0 n HIS 26 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.34 176.70 2kc0 n LYS 27 N 1.08 1.83 0.00 1.57 2.85 -1.26 -5.16 118.16 119.07 2kc0 n LYS 27 Ca 0.28 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 2kc0 n LYS 27 Cb 0.37 -0.15 0.00 0.00 -0.65 0.00 0.00 35.03 34.59 2kc0 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2kc0 n ASP 28 N 0.00 0.00 -1.88 -5.58 -0.08 -1.26 -4.83 116.55 102.92 2kc0 n ASP 28 Ca 0.00 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.13 2kc0 n ASP 28 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2kc0 n ASP 28 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2kc0 n LYS 29 N 3.70 -1.67 -2.54 -0.67 4.76 -1.26 -4.62 118.16 115.86 2kc0 n LYS 29 Ca 0.00 0.79 0.00 0.00 -2.87 0.00 0.00 58.31 56.23 2kc0 n LYS 29 Cb 0.00 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 27.97 2kc0 n LYS 29 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kc0 n GLY 30 N -0.54 -0.55 3.56 0.72 0.00 -1.26 -5.09 105.19 102.04 2kc0 n GLY 30 Ca -0.16 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 2kc0 n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kc0 s LEU 31 N 0.00 3.58 0.04 0.99 0.20 -1.26 -4.68 118.68 117.54 2kc0 s LEU 31 Ca 0.00 -1.68 0.22 0.00 0.69 0.00 0.00 54.13 53.36 2kc0 s LEU 31 Cb 0.00 -2.57 -0.18 0.00 -0.43 0.00 0.00 46.19 43.01 2kc0 s LEU 31 CO 0.00 -1.45 0.75 0.00 -0.29 0.00 0.00 176.35 175.36 2kc0 n GLN 32 N 8.77 0.53 -3.87 1.98 1.13 -1.26 -4.11 117.38 120.54 2kc0 n GLN 32 Ca 0.37 -0.07 -0.08 0.00 -1.94 0.00 0.00 57.00 55.28 2kc0 n GLN 32 Cb 0.50 -1.60 -0.02 0.00 0.11 0.00 0.00 30.24 29.23 2kc0 n GLN 32 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 2kc0 s SER 33 N -4.49 -0.17 -0.14 1.08 1.04 -1.26 -0.81 113.70 108.95 2kc0 s SER 33 Ca -0.03 -0.76 -0.01 0.00 0.48 0.00 0.00 55.95 55.64 2kc0 s SER 33 Cb 0.13 0.73 -0.01 0.00 0.10 0.00 0.00 66.02 66.97 2kc0 s SER 33 CO 0.86 -1.38 -0.12 -0.22 0.98 0.00 0.00 173.24 173.36 2kc0 s LEU 34 N -2.96 2.76 0.19 2.42 0.20 0.24 -4.82 118.68 116.71 2kc0 s LEU 34 Ca 0.14 -0.32 -0.31 0.00 0.69 0.00 0.00 54.13 54.33 2kc0 s LEU 34 Cb -0.05 -1.63 -0.10 0.00 -0.43 0.00 0.00 46.19 43.98 2kc0 s LEU 34 CO 0.08 0.15 1.45 -0.89 -0.29 0.00 0.00 176.35 176.85 2kc0 s THR 35 N 0.46 2.83 -0.69 3.68 2.01 -1.26 -1.30 115.64 121.36 2kc0 s THR 35 Ca -0.09 0.65 0.05 0.00 0.31 0.00 0.00 61.69 62.61 2kc0 s THR 35 Cb -0.16 -3.41 0.18 0.00 0.01 0.00 0.00 72.50 69.12 2kc0 s THR 35 CO 0.04 0.08 0.53 0.18 -0.69 0.00 0.00 174.62 174.76 2kc0 n LEU 36 N 3.12 3.02 -0.03 4.42 4.32 -0.96 -4.63 117.00 126.26 2kc0 n LEU 36 Ca 0.10 -5.22 0.02 0.00 -0.02 0.00 0.00 56.01 50.88 2kc0 n LEU 36 Cb 0.40 -0.70 -0.15 0.00 -1.62 0.00 0.00 43.42 41.36 2kc0 n LEU 36 CO 0.60 1.81 -0.82 -0.67 -1.22 0.00 0.00 177.39 177.09 2kc0 n ASP 37 N 1.82 0.15 -0.11 -1.43 2.03 -1.26 -3.15 116.55 114.60 2kc0 n ASP 37 Ca 0.22 0.07 -0.19 0.00 0.52 0.00 0.00 54.79 55.40 2kc0 n ASP 37 Cb 0.36 1.31 -0.10 0.00 -0.72 0.00 0.00 41.12 41.97 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 -2.55 0.53 -0.10 -0.67 10.64 -1.26 -4.68 117.38 119.30 2kc0 n GLN 38 Ca -0.16 0.16 0.26 0.00 -1.83 0.00 0.00 57.00 55.44 2kc0 n GLN 38 Cb 0.83 -1.40 0.65 0.00 -0.86 0.00 0.00 30.24 29.46 2kc0 n GLN 38 CO 0.00 0.00 0.00 1.03 -1.83 0.00 0.00 177.06 176.26 2kc0 h SER 39 N -0.30 0.00 -3.74 2.61 0.87 -1.91 -3.39 113.55 107.68 2kc0 h SER 39 Ca -0.53 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 59.79 2kc0 h SER 39 Cb 1.68 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 63.35 2kc0 h SER 39 CO -0.18 0.00 -0.72 0.54 -0.53 0.00 0.00 176.83 175.94 2kc0 s VAL 40 N -4.62 0.04 0.37 2.23 0.11 -1.26 -5.14 120.40 112.13 2kc0 s VAL 40 Ca -0.04 -0.02 -0.13 0.00 -2.93 0.00 0.00 61.98 58.87 2kc0 s VAL 40 Cb 0.17 -0.05 -0.08 0.00 -1.53 0.00 0.00 36.38 34.89 2kc0 s VAL 40 CO 0.57 0.01 0.76 -0.60 -3.33 0.00 0.00 175.10 172.52 2kc0 s ARG 41 N 0.02 3.88 0.00 1.54 6.06 -1.26 -4.72 118.95 124.47 2kc0 s ARG 41 Ca -0.00 0.57 0.00 0.00 -2.50 0.00 0.00 55.73 53.80 2kc0 s ARG 41 Cb -0.01 -2.40 0.00 0.00 0.06 0.00 0.00 34.95 32.60 2kc0 s ARG 41 CO -0.00 0.04 0.10 1.63 -2.50 0.00 0.00 175.30 174.57 2kc0 n LYS 42 N -0.90 0.14 0.00 5.12 5.02 -1.26 -2.18 118.16 124.10 2kc0 n LYS 42 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2kc0 n LYS 42 Cb 0.54 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 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 0.66 2.14 -4.23 4.39 5.03 -1.26 -4.99 115.26 117.00 2kc0 n ASN 43 Ca 0.00 -0.09 -0.18 0.00 0.87 0.00 0.00 54.58 55.18 2kc0 n ASN 43 Cb 0.05 0.60 -0.11 0.00 -1.02 0.00 0.00 39.78 39.30 2kc0 n ASN 43 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 2kc0 s GLU 44 N -1.03 0.98 -0.09 3.52 -1.05 -0.93 -4.91 118.70 115.19 2kc0 s GLU 44 Ca 0.00 -1.17 -0.15 0.00 -0.15 0.00 0.00 54.97 53.51 2kc0 s GLU 44 Cb 0.00 -0.91 -0.05 0.00 -0.44 0.00 0.00 34.13 32.73 2kc0 s GLU 44 CO 0.00 0.18 0.36 0.15 0.95 0.00 0.00 175.26 176.91 2kc0 s LYS 45 N -2.41 4.09 -0.02 -4.83 1.02 -0.12 -4.28 119.74 113.20 2kc0 s LYS 45 Ca 0.06 0.27 0.08 0.00 0.02 0.00 0.00 55.97 56.40 2kc0 s LYS 45 Cb -0.06 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 2kc0 s LYS 45 CO 0.03 0.43 -0.25 -1.17 -0.92 0.00 0.00 175.35 173.47 2kc0 s LEU 46 N -0.18 2.05 -0.19 3.17 1.98 -0.04 -0.36 118.68 125.11 2kc0 s LEU 46 Ca 0.21 -0.45 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 2kc0 s LEU 46 Cb -0.15 -1.27 0.02 0.00 0.66 0.00 0.00 46.19 45.45 2kc0 s LEU 46 CO 0.09 0.30 -0.17 -0.54 -1.89 0.00 0.00 176.35 174.14 2kc0 s LYS 47 N -0.56 3.03 0.35 1.98 1.02 -0.00 -0.68 119.74 124.88 2kc0 s LYS 47 Ca 0.09 -0.81 -0.14 0.00 0.02 0.00 0.00 55.97 55.13 2kc0 s LYS 47 Cb -0.10 -2.67 -0.08 0.00 -0.52 0.00 0.00 37.83 34.47 2kc0 s LYS 47 CO -0.01 -0.22 0.75 -1.17 -0.92 0.00 0.00 175.35 173.78 2kc0 s LEU 48 N 1.32 3.98 -0.26 3.17 1.98 -0.04 -1.18 118.68 127.66 2kc0 s LEU 48 Ca 0.05 1.25 -0.13 0.00 -2.89 0.00 0.00 54.13 52.41 2kc0 s LEU 48 Cb -0.13 -4.08 0.09 0.00 0.66 0.00 0.00 46.19 42.73 2kc0 s LEU 48 CO -0.11 -0.27 0.61 0.00 -1.89 0.00 0.00 176.35 174.69 2kc0 s ALA 49 N -2.11 -1.72 -0.21 5.97 0.00 0.16 -1.60 121.76 122.25 2kc0 s ALA 49 Ca 0.54 2.18 -0.29 0.00 0.00 0.00 0.00 51.96 54.39 2kc0 s ALA 49 Cb -0.10 -1.42 0.14 0.00 0.00 0.00 0.00 23.12 21.74 2kc0 s ALA 49 CO 0.22 -0.52 1.08 0.00 0.00 0.00 0.00 175.76 176.54 2kc0 s ALA 50 N 1.97 -1.98 -1.58 0.00 0.00 -0.69 -0.96 121.76 118.51 2kc0 s ALA 50 Ca -0.08 1.70 -0.10 0.00 0.00 0.00 0.00 51.96 53.47 2kc0 s ALA 50 Cb -0.08 -1.05 0.09 0.00 0.00 0.00 0.00 23.12 22.08 2kc0 s ALA 50 CO -0.18 -0.27 0.60 0.94 0.00 0.00 0.00 175.76 176.85 2kc0 n GLN 51 N 1.09 -3.07 -0.87 0.00 7.27 -1.26 -1.58 117.38 118.96 2kc0 n GLN 51 Ca -0.09 0.36 0.00 0.00 0.07 0.00 0.00 57.00 57.34 2kc0 n GLN 51 Cb 0.57 -4.78 0.00 0.00 2.41 0.00 0.00 30.24 28.44 2kc0 n GLN 51 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2kc0 n GLY 52 N -1.70 0.60 3.34 1.69 0.00 -1.26 -4.63 105.19 103.23 2kc0 n GLY 52 Ca -0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 2kc0 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kc0 s ALA 53 N -2.19 2.00 0.06 4.61 0.00 -0.62 -5.08 121.76 120.55 2kc0 s ALA 53 Ca 0.00 -1.60 -0.11 0.00 0.00 0.00 0.00 51.96 50.24 2kc0 s ALA 53 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.02 2kc0 s ALA 53 CO 0.00 0.11 0.25 -1.83 0.00 0.00 0.00 175.76 174.29 2kc0 s GLU 54 N -3.39 0.81 -0.06 0.00 -1.05 -1.26 -1.70 118.70 112.05 2kc0 s GLU 54 Ca 0.20 -0.70 -0.01 0.00 -0.15 0.00 0.00 54.97 54.32 2kc0 s GLU 54 Cb -0.02 0.34 0.03 0.00 -0.44 0.00 0.00 34.13 34.04 2kc0 s GLU 54 CO 0.07 -0.26 0.00 0.15 0.95 0.00 0.00 175.26 176.17 2kc0 s LYS 55 N -3.08 0.56 -0.44 -4.83 -0.14 -0.62 -4.74 119.74 106.45 2kc0 s LYS 55 Ca -0.01 0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 54.42 2kc0 s LYS 55 Cb 0.01 -0.90 0.03 0.00 -1.68 0.00 0.00 37.83 35.28 2kc0 s LYS 55 CO -0.07 -0.28 1.09 0.95 -0.76 0.00 0.00 175.35 176.28 2kc0 s THR 56 N 1.85 4.32 0.10 2.17 -4.23 -1.26 -0.86 115.64 117.72 2kc0 s THR 56 Ca 0.03 1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.76 2kc0 s THR 56 Cb -0.12 -4.53 -0.03 0.00 1.34 0.00 0.00 72.50 69.15 2kc0 s THR 56 CO -0.04 -0.87 0.06 -0.72 -0.54 0.00 0.00 174.62 172.50 2kc0 s TYR 57 N 4.17 0.60 0.00 3.99 -0.85 0.15 -5.02 117.35 120.39 2kc0 s TYR 57 Ca 0.45 -1.05 0.00 0.00 -0.52 0.00 0.00 57.07 55.95 2kc0 s TYR 57 Cb -0.09 -0.36 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2kc0 s TYR 57 CO 0.27 -0.49 0.00 0.41 -1.52 0.00 0.00 175.55 174.23 2kc0 n GLY 58 N -0.02 0.69 2.40 5.49 0.00 -1.26 -0.86 105.19 111.63 2kc0 n GLY 58 Ca -0.10 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.80 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 0.00 -4.88 0.00 1.61 5.15 -1.26 -4.48 115.26 111.40 2kc0 n ASN 59 Ca 0.00 0.40 0.00 0.00 -0.60 0.00 0.00 54.58 54.38 2kc0 n ASN 59 Cb 0.00 -4.33 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 2kc0 n ASN 59 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kc0 n GLY 60 N -0.41 0.48 0.00 8.20 0.00 -1.26 -4.90 105.19 107.30 2kc0 n GLY 60 Ca -0.19 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 1.52 -3.67 1.61 -0.08 -1.19 -5.02 116.55 109.72 2kc0 n ASP 61 Ca 0.00 0.00 -0.09 0.00 -1.51 0.00 0.00 54.79 53.19 2kc0 n ASP 61 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 2kc0 n ASP 61 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 2kc0 s SER 62 N 1.45 -0.39 -0.02 1.67 1.04 -1.26 -2.28 113.70 113.92 2kc0 s SER 62 Ca 0.00 -0.34 0.07 0.00 0.48 0.00 0.00 55.95 56.16 2kc0 s SER 62 Cb 0.00 0.66 -0.02 0.00 0.10 0.00 0.00 66.02 66.77 2kc0 s SER 62 CO 0.00 -1.17 -0.24 -0.22 0.98 0.00 0.00 173.24 172.59 2kc0 s LEU 63 N -2.84 2.04 0.49 2.42 2.96 -0.42 -4.91 118.68 118.41 2kc0 s LEU 63 Ca 0.07 -0.43 -0.24 0.00 -0.22 0.00 0.00 54.13 53.31 2kc0 s LEU 63 Cb -0.04 -1.23 -0.07 0.00 0.50 0.00 0.00 46.19 45.35 2kc0 s LEU 63 CO -0.02 0.29 1.41 0.20 -1.32 0.00 0.00 176.35 176.91 2kc0 s ASN 64 N -0.54 5.64 0.00 3.68 0.01 -1.26 -0.59 114.94 121.88 2kc0 s ASN 64 Ca 0.09 2.88 0.00 0.00 -0.71 0.00 0.00 52.86 55.12 2kc0 s ASN 64 Cb -0.09 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 38.92 2kc0 s ASN 64 CO -0.01 -1.33 0.00 0.35 -1.51 0.00 0.00 177.10 174.60 2kc0 n THR 65 N -0.49 0.00 -4.59 1.60 -2.24 -0.94 -4.78 114.28 102.84 2kc0 n THR 65 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2kc0 n THR 65 Cb 0.43 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.51 -0.75 0.25 3.38 0.00 0.01 -4.13 105.19 105.46 2kc0 n GLY 66 Ca 0.00 -0.91 0.03 0.00 0.00 0.00 0.00 46.02 45.14 2kc0 n GLY 66 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2kc0 h LYS 67 N 0.00 0.25 -1.31 1.61 1.63 -1.90 -3.44 116.57 113.42 2kc0 h LYS 67 Ca 0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2kc0 h LYS 67 Cb 0.00 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2kc0 h LYS 67 CO 0.00 0.35 0.00 1.28 -3.45 0.00 0.00 179.45 177.63 2kc0 n LEU 68 N -4.31 0.00 -4.56 5.20 4.32 -1.26 -4.58 117.00 111.81 2kc0 n LEU 68 Ca -0.01 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.59 2kc0 n LEU 68 Cb 0.24 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.01 2kc0 n LEU 68 CO 0.37 0.00 1.58 -0.75 -1.22 0.00 0.00 177.39 177.38 2kc0 s LYS 69 N -0.40 2.73 0.00 3.23 2.47 -1.26 -3.99 119.74 122.52 2kc0 s LYS 69 Ca 0.00 0.69 0.00 0.00 -1.56 0.00 0.00 55.97 55.10 2kc0 s LYS 69 Cb 0.00 -4.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.01 2kc0 s LYS 69 CO 0.00 -2.61 0.00 0.27 0.16 0.00 0.00 175.35 173.17 2kc0 n ASN 70 N 12.37 0.00 -3.60 1.43 2.04 -0.61 -5.01 115.26 121.87 2kc0 n ASN 70 Ca 0.20 0.00 -0.24 0.00 -0.44 0.00 0.00 54.58 54.10 2kc0 n ASN 70 Cb 0.51 0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.79 2kc0 n ASN 70 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2kc0 n ASP 71 N 0.00 -5.68 -3.92 0.53 2.03 -0.65 -5.00 116.55 103.86 2kc0 n ASP 71 Ca 0.00 -0.83 -0.08 0.00 0.52 0.00 0.00 54.79 54.40 2kc0 n ASP 71 Cb 0.00 -3.29 -0.08 0.00 -0.72 0.00 0.00 41.12 37.03 2kc0 n ASP 71 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2kc0 s LYS 72 N -5.18 0.77 -0.15 -0.67 -2.85 -0.12 -4.99 119.74 106.55 2kc0 s LYS 72 Ca 0.27 -1.03 -0.05 0.00 -1.00 0.00 0.00 55.97 54.15 2kc0 s LYS 72 Cb -0.10 0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2kc0 s LYS 72 CO 0.85 -0.22 0.03 0.14 0.10 0.00 0.00 175.35 176.25 2kc0 s VAL 73 N -3.87 4.48 -0.10 1.79 -7.23 -1.26 -0.55 120.40 113.66 2kc0 s VAL 73 Ca 0.05 -0.16 -0.21 0.00 -1.81 0.00 0.00 61.98 59.86 2kc0 s VAL 73 Cb 0.06 -2.97 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 2kc0 s VAL 73 CO -0.11 0.51 0.60 -0.44 -0.31 0.00 0.00 175.10 175.35 2kc0 s SER 74 N 0.03 6.83 -0.00 4.85 0.01 0.17 -4.92 113.70 120.67 2kc0 s SER 74 Ca 0.04 1.00 -0.23 0.00 1.31 0.00 0.00 55.95 58.07 2kc0 s SER 74 Cb -0.13 -2.35 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2kc0 s SER 74 CO 0.01 -0.08 0.68 0.00 0.41 0.00 0.00 173.24 174.26 2kc0 s ARG 75 N 0.84 4.41 0.04 12.44 1.70 -1.26 -1.57 118.95 135.55 2kc0 s ARG 75 Ca 0.32 0.89 -0.05 0.00 -0.47 0.00 0.00 55.73 56.42 2kc0 s ARG 75 Cb -0.16 -3.38 -0.01 0.00 -0.57 0.00 0.00 34.95 30.82 2kc0 s ARG 75 CO 0.14 0.26 0.08 -0.06 -1.08 0.00 0.00 175.30 174.64 2kc0 s PHE 76 N 0.12 0.24 0.10 5.89 0.08 -0.37 -4.91 117.98 119.13 2kc0 s PHE 76 Ca 0.35 -0.58 0.05 0.00 0.12 0.00 0.00 56.93 56.88 2kc0 s PHE 76 Cb -0.19 -0.17 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 2kc0 s PHE 76 CO 0.19 -0.36 -0.01 0.34 -0.10 0.00 0.00 175.22 175.29 2kc0 s ASP 77 N -2.21 4.97 -0.01 1.36 -1.08 -0.14 -1.30 116.67 118.26 2kc0 s ASP 77 Ca -0.04 -0.21 -0.10 0.00 -0.52 0.00 0.00 52.55 51.69 2kc0 s ASP 77 Cb -0.00 -1.16 0.01 0.00 -1.46 0.00 0.00 42.92 40.31 2kc0 s ASP 77 CO -0.05 0.17 0.20 0.72 0.52 0.00 0.00 175.17 176.72 2kc0 s PHE 78 N -1.33 -0.05 0.05 -5.34 -0.71 -0.47 -0.66 117.98 109.47 2kc0 s PHE 78 Ca 0.26 0.04 0.05 0.00 -1.04 0.00 0.00 56.93 56.24 2kc0 s PHE 78 Cb -0.11 0.01 -0.02 0.00 -1.21 0.00 0.00 43.02 41.68 2kc0 s PHE 78 CO 0.18 -0.31 -0.15 0.42 -1.34 0.00 0.00 175.22 174.02 2kc0 s ILE 79 N -1.27 1.19 0.01 -4.49 1.09 -0.32 -1.63 121.20 115.76 2kc0 s ILE 79 Ca -0.13 -1.08 0.07 0.00 -1.10 0.00 0.00 60.65 58.41 2kc0 s ILE 79 Cb -0.06 -1.08 -0.02 0.00 -1.06 0.00 0.00 42.46 40.24 2kc0 s ILE 79 CO 0.02 -0.01 -0.22 0.00 -0.10 0.00 0.00 174.94 174.63 2kc0 s ARG 80 N -1.25 1.70 0.02 2.79 1.70 -0.79 -0.82 118.95 122.29 2kc0 s ARG 80 Ca 0.02 -0.87 0.01 0.00 -0.47 0.00 0.00 55.73 54.42 2kc0 s ARG 80 Cb -0.08 -1.71 -0.02 0.00 -0.57 0.00 0.00 34.95 32.57 2kc0 s ARG 80 CO 0.02 0.46 -0.05 1.14 -1.08 0.00 0.00 175.30 175.78 2kc0 s GLN 81 N -0.77 0.40 -0.14 3.89 -2.07 0.51 -4.40 119.66 117.08 2kc0 s GLN 81 Ca 0.09 -0.49 -0.17 0.00 -1.82 0.00 0.00 55.36 52.97 2kc0 s GLN 81 Cb -0.09 -0.22 0.04 0.00 -1.09 0.00 0.00 33.01 31.66 2kc0 s GLN 81 CO 0.00 0.04 0.45 -1.50 -1.32 0.00 0.00 175.29 172.97 2kc0 s ILE 82 N -0.90 0.01 -1.45 3.63 2.07 -1.26 -0.94 121.20 122.36 2kc0 s ILE 82 Ca -0.07 -0.07 -0.13 0.00 -1.41 0.00 0.00 60.65 58.98 2kc0 s ILE 82 Cb -0.07 -0.66 0.05 0.00 0.13 0.00 0.00 42.46 41.91 2kc0 s ILE 82 CO -0.00 -0.04 2.24 1.21 -1.91 0.00 0.00 174.94 176.44 2kc0 n GLU 83 N 2.50 3.04 -1.61 3.50 4.07 -1.26 -4.47 120.64 126.40 2kc0 n GLU 83 Ca -0.15 -2.71 -0.45 0.00 -0.06 0.00 0.00 57.16 53.79 2kc0 n GLU 83 Cb 0.57 -3.20 -0.04 0.00 -0.06 0.00 0.00 31.44 28.71 2kc0 n GLU 83 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2kc0 n VAL 84 N 4.71 0.47 -1.46 6.31 0.31 -1.14 -1.11 118.33 126.43 2kc0 n VAL 84 Ca 0.52 -0.28 -0.14 0.00 -0.01 0.00 0.00 64.34 64.44 2kc0 n VAL 84 Cb 0.37 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.04 2kc0 n VAL 84 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2kc0 n ASP 85 N 9.35 -3.66 0.00 4.52 9.92 -1.26 -0.50 116.55 134.92 2kc0 n ASP 85 Ca 0.28 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.87 2kc0 n ASP 85 Cb 0.37 -3.39 0.00 0.00 -0.64 0.00 0.00 41.12 37.46 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 -0.29 0.59 3.87 0.44 0.00 -0.26 -5.08 105.19 104.46 2kc0 n GLY 86 Ca -0.14 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.69 3.72 -1.14 1.61 -1.52 0.35 -5.05 119.66 116.95 2kc0 s GLN 87 Ca 0.00 0.12 -0.07 0.00 -1.95 0.00 0.00 55.36 53.46 2kc0 s GLN 87 Cb 0.00 -3.01 0.26 0.00 -0.22 0.00 0.00 33.01 30.04 2kc0 s GLN 87 CO 0.00 0.57 1.45 1.28 -0.25 0.00 0.00 175.29 178.34 2kc0 n LEU 88 N 0.91 6.08 -4.72 2.90 4.32 -1.26 -2.88 117.00 122.34 2kc0 n LEU 88 Ca -0.08 -4.98 -0.38 0.00 -0.02 0.00 0.00 56.01 50.54 2kc0 n LEU 88 Cb 0.52 -1.41 -0.06 0.00 -1.62 0.00 0.00 43.42 40.86 2kc0 n LEU 88 CO 0.42 1.43 0.24 -0.63 -1.22 0.00 0.00 177.39 177.64 2kc0 s ILE 89 N -1.32 5.14 -0.47 -0.08 1.01 -1.26 -5.02 121.20 119.20 2kc0 s ILE 89 Ca 0.34 1.11 0.06 0.00 0.00 0.00 0.00 60.65 62.17 2kc0 s ILE 89 Cb 0.01 -3.89 0.24 0.00 0.01 0.00 0.00 42.46 38.82 2kc0 s ILE 89 CO 0.02 0.31 0.78 0.41 0.00 0.00 0.00 174.94 176.46 2kc0 n THR 90 N 3.68 -0.19 0.00 2.92 -1.04 -1.26 -4.16 114.28 114.23 2kc0 n THR 90 Ca -0.05 -2.07 0.00 0.00 -2.04 0.00 0.00 64.05 59.89 2kc0 n THR 90 Cb 0.51 0.60 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 2kc0 n THR 90 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2kc0 n LEU 91 N 1.75 0.00 -4.57 -4.42 4.77 -1.26 -5.00 117.00 108.26 2kc0 n LEU 91 Ca 0.13 -0.06 -0.41 0.00 -0.03 0.00 0.00 56.01 55.64 2kc0 n LEU 91 Cb 0.60 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2kc0 n LEU 91 CO 0.07 0.00 1.26 -1.61 -1.33 0.00 0.00 177.39 175.77 2kc0 s GLU 92 N -0.26 3.27 0.04 3.23 8.01 -1.26 -4.40 118.70 127.34 2kc0 s GLU 92 Ca 0.00 0.40 -0.01 0.00 0.01 0.00 0.00 54.97 55.37 2kc0 s GLU 92 Cb 0.00 -4.14 -0.04 0.00 -4.31 0.00 0.00 34.13 25.65 2kc0 s GLU 92 CO 0.00 -1.98 -0.03 0.45 0.01 0.00 0.00 175.26 173.71 2kc0 s SER 93 N 4.47 0.46 0.00 -0.19 0.15 -1.26 -1.89 113.70 115.44 2kc0 s SER 93 Ca 0.51 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2kc0 s SER 93 Cb -0.10 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.38 2kc0 s SER 93 CO 0.24 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.76 2kc0 n GLY 94 N 0.44 2.09 3.94 9.45 0.00 -0.65 -4.43 105.19 116.04 2kc0 n GLY 94 Ca -0.16 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2kc0 n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 95 N 0.39 3.50 -0.03 1.61 0.41 0.21 -1.36 118.70 123.42 2kc0 s GLU 95 Ca 0.00 -0.36 -0.01 0.00 -0.41 0.00 0.00 54.97 54.20 2kc0 s GLU 95 Cb 0.00 -2.72 0.03 0.00 -1.78 0.00 0.00 34.13 29.66 2kc0 s GLU 95 CO 0.00 0.24 0.06 0.12 -0.49 0.00 0.00 175.26 175.19 2kc0 s PHE 96 N -2.17 -0.02 -0.13 1.61 5.36 -0.42 -1.99 117.98 120.22 2kc0 s PHE 96 Ca 0.39 0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 56.58 2kc0 s PHE 96 Cb -0.10 -0.18 0.03 0.00 -0.34 0.00 0.00 43.02 42.42 2kc0 s PHE 96 CO 0.33 -0.10 -0.10 -0.65 -1.46 0.00 0.00 175.22 173.24 2kc0 s GLN 97 N 1.03 1.79 -0.22 10.12 -0.21 -0.57 -1.23 119.66 130.38 2kc0 s GLN 97 Ca -0.08 -0.39 0.01 0.00 0.02 0.00 0.00 55.36 54.91 2kc0 s GLN 97 Cb -0.12 -1.82 0.06 0.00 1.00 0.00 0.00 33.01 32.13 2kc0 s GLN 97 CO -0.04 -0.27 -0.06 0.08 -2.12 0.00 0.00 175.29 172.88 2kc0 s VAL 98 N 1.62 1.50 0.01 1.09 1.01 -0.61 -1.35 120.40 123.68 2kc0 s VAL 98 Ca 0.05 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 2kc0 s VAL 98 Cb -0.13 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2kc0 s VAL 98 CO -0.09 -0.04 0.97 -0.47 0.00 0.00 0.00 175.10 175.46 2kc0 s TYR 99 N 1.42 3.68 -0.28 5.22 6.14 -0.27 -0.65 117.35 132.60 2kc0 s TYR 99 Ca -0.05 1.70 -0.01 0.00 0.64 0.00 0.00 57.07 59.36 2kc0 s TYR 99 Cb -0.18 -3.10 0.05 0.00 0.42 0.00 0.00 41.96 39.14 2kc0 s TYR 99 CO -0.07 0.02 -0.04 0.15 0.64 0.00 0.00 175.55 176.26 2kc0 s LYS 100 N 0.86 2.50 0.00 4.97 3.01 0.29 -3.34 119.74 128.02 2kc0 s LYS 100 Ca 0.51 -1.21 0.00 0.00 -1.01 0.00 0.00 55.97 54.26 2kc0 s LYS 100 Cb -0.21 -3.07 0.00 0.00 -1.01 0.00 0.00 37.83 33.54 2kc0 s LYS 100 CO 0.28 -0.55 0.00 0.94 0.51 0.00 0.00 175.35 176.53 2kc0 n GLN 101 N 4.60 0.00 0.00 1.68 0.00 -1.16 -0.95 117.38 121.55 2kc0 n GLN 101 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.86 2kc0 n GLN 101 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.68 2kc0 n GLN 101 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2kc0 n SER 102 N 0.00 0.00 0.00 1.69 2.88 -1.26 -1.58 113.62 115.35 2kc0 n SER 102 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2kc0 n SER 102 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kc0 n SER 102 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2kc0 n HIS 103 N -0.68 0.00 -3.87 0.66 8.25 -1.26 -4.81 115.22 113.51 2kc0 n HIS 103 Ca 0.00 -0.05 -0.07 0.00 -0.26 0.00 0.00 57.72 57.34 2kc0 n HIS 103 Cb 0.00 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.09 -0.24 -0.25 0.41 1.04 -1.26 -4.06 113.70 109.25 2kc0 s SER 104 Ca 0.00 -0.65 -0.23 0.00 0.48 0.00 0.00 55.95 55.55 2kc0 s SER 104 Cb 0.00 0.70 0.06 0.00 0.10 0.00 0.00 66.02 66.89 2kc0 s SER 104 CO 0.00 -1.31 0.67 0.00 0.98 0.00 0.00 173.24 173.58 2kc0 s ALA 105 N -3.93 -1.65 0.03 5.32 0.00 -0.68 -2.99 121.76 117.86 2kc0 s ALA 105 Ca 0.13 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.96 2kc0 s ALA 105 Cb -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.97 2kc0 s ALA 105 CO 0.07 -0.32 -0.04 -0.48 0.00 0.00 0.00 175.76 174.99 2kc0 s LEU 106 N 0.32 2.30 0.26 0.00 0.05 -1.21 -1.49 118.68 118.90 2kc0 s LEU 106 Ca -0.00 -0.62 0.08 0.00 0.05 0.00 0.00 54.13 53.64 2kc0 s LEU 106 Cb -0.05 0.04 -0.04 0.00 -2.05 0.00 0.00 46.19 44.09 2kc0 s LEU 106 CO 0.01 -0.33 0.08 0.28 -0.55 0.00 0.00 176.35 175.83 2kc0 s THR 107 N -1.95 3.86 0.00 5.48 -1.32 -1.21 -1.12 115.64 119.38 2kc0 s THR 107 Ca -0.09 -1.69 -0.08 0.00 -1.21 0.00 0.00 61.69 58.62 2kc0 s THR 107 Cb -0.06 -3.07 0.00 0.00 -1.51 0.00 0.00 72.50 67.86 2kc0 s THR 107 CO -0.02 -0.35 0.15 0.00 -2.21 0.00 0.00 174.62 172.18 2kc0 s ALA 108 N -2.22 -0.35 0.07 11.08 0.00 -0.46 -1.08 121.76 128.80 2kc0 s ALA 108 Ca 0.32 -0.11 0.02 0.00 0.00 0.00 0.00 51.96 52.19 2kc0 s ALA 108 Cb -0.07 0.11 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2kc0 s ALA 108 CO 0.22 -0.21 0.14 -0.06 0.00 0.00 0.00 175.76 175.84 2kc0 s PHE 109 N -1.37 3.34 -0.29 0.00 0.40 -0.21 -1.50 117.98 118.34 2kc0 s PHE 109 Ca -0.15 0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 2kc0 s PHE 109 Cb -0.07 -1.68 0.15 0.00 0.51 0.00 0.00 43.02 41.92 2kc0 s PHE 109 CO 0.02 0.55 0.37 -1.14 0.70 0.00 0.00 175.22 175.72 2kc0 s GLN 110 N -2.43 0.39 0.11 0.44 0.74 -0.84 -2.67 119.66 115.39 2kc0 s GLN 110 Ca 0.32 -0.01 -0.30 0.00 0.05 0.00 0.00 55.36 55.42 2kc0 s GLN 110 Cb -0.13 -0.45 -0.06 0.00 1.10 0.00 0.00 33.01 33.48 2kc0 s GLN 110 CO 0.25 -1.04 1.14 -0.08 -0.55 0.00 0.00 175.29 175.01 2kc0 s THR 111 N 2.43 4.01 -0.25 -0.34 -1.32 -0.77 -0.62 115.64 118.79 2kc0 s THR 111 Ca 0.10 1.56 -0.15 0.00 -1.21 0.00 0.00 61.69 61.99 2kc0 s THR 111 Cb -0.13 -4.00 -0.11 0.00 -1.51 0.00 0.00 72.50 66.75 2kc0 s THR 111 CO -0.30 0.19 -0.30 -1.84 -2.21 0.00 0.00 174.62 170.15 2kc0 n GLU 112 N 3.24 0.57 -3.67 7.08 0.28 -1.26 -2.09 120.64 124.79 2kc0 n GLU 112 Ca 0.06 0.29 -0.14 0.00 -0.16 0.00 0.00 57.16 57.21 2kc0 n GLU 112 Cb 0.47 -1.51 -0.08 0.00 1.43 0.00 0.00 31.44 31.74 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 -2.56 0.70 0.12 3.44 -2.07 -1.26 -3.08 119.66 114.95 2kc0 s GLN 113 Ca -0.36 0.84 0.03 0.00 -1.82 0.00 0.00 55.36 54.05 2kc0 s GLN 113 Cb 0.12 0.33 -0.04 0.00 -1.09 0.00 0.00 33.01 32.33 2kc0 s GLN 113 CO 0.48 -0.08 -0.09 0.96 -1.32 0.00 0.00 175.29 175.24 2kc0 s ILE 114 N 0.34 0.97 0.76 3.63 -4.36 -0.55 -4.37 121.20 117.62 2kc0 s ILE 114 Ca -0.00 -1.94 -0.12 0.00 -0.26 0.00 0.00 60.65 58.33 2kc0 s ILE 114 Cb -0.04 -1.70 0.05 0.00 1.25 0.00 0.00 42.46 42.01 2kc0 s ILE 114 CO 0.00 -0.76 1.12 -1.58 0.24 0.00 0.00 174.94 173.96 2kc0 s GLN 115 N -3.60 2.43 0.04 0.37 -0.44 -1.26 -0.84 119.66 116.36 2kc0 s GLN 115 Ca 0.13 0.41 0.04 0.00 -2.50 0.00 0.00 55.36 53.44 2kc0 s GLN 115 Cb 0.02 -1.98 -0.02 0.00 -1.64 0.00 0.00 33.01 29.40 2kc0 s GLN 115 CO -0.01 -1.33 -0.11 0.34 0.50 0.00 0.00 175.29 174.68 2kc0 s ASP 116 N -4.30 1.26 0.20 6.67 -1.08 0.61 -4.79 116.67 115.23 2kc0 s ASP 116 Ca 0.60 -0.49 0.23 0.00 -0.52 0.00 0.00 52.55 52.37 2kc0 s ASP 116 Cb -0.12 -0.04 0.18 0.00 -1.46 0.00 0.00 42.92 41.48 2kc0 s ASP 116 CO 0.52 -0.08 1.22 0.28 0.52 0.00 0.00 175.17 177.63 2kc0 h SER 117 N 4.72 0.00 -0.76 -0.34 0.02 -1.94 -1.88 113.55 113.37 2kc0 h SER 117 Ca -0.37 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.45 2kc0 h SER 117 Cb 1.19 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.70 2kc0 h SER 117 CO 0.42 0.04 0.29 1.05 -1.14 0.00 0.00 176.83 177.49 2kc0 h GLU 118 N 0.00 1.14 -0.48 3.45 -0.00 -1.98 -0.32 114.58 116.40 2kc0 h GLU 118 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 59.36 59.14 2kc0 h GLU 118 Cb 0.90 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.47 2kc0 h GLU 118 CO 0.00 0.94 0.00 1.58 -0.00 0.00 0.00 179.01 181.53 2kc0 n HIS 119 N -4.30 0.63 -4.01 2.06 -0.00 -1.26 -4.99 115.22 103.35 2kc0 n HIS 119 Ca 0.06 -0.36 -0.26 0.00 0.46 0.00 0.00 57.72 57.62 2kc0 n HIS 119 Cb 0.19 -0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.03 2kc0 n HIS 119 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2kc0 n SER 120 N 1.34 -0.20 0.00 0.26 3.41 -0.13 -4.69 113.62 113.61 2kc0 n SER 120 Ca 0.19 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.76 2kc0 n SER 120 Cb 0.56 -2.85 0.00 0.00 -0.26 0.00 0.00 64.21 61.66 2kc0 n SER 120 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kc0 n GLY 121 N -2.05 0.00 3.80 5.00 0.00 -0.72 -4.99 105.19 106.24 2kc0 n GLY 121 Ca -0.30 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2kc0 n GLY 121 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kc0 n LYS 122 N 0.00 0.63 -3.82 1.61 4.76 -1.17 -4.91 118.16 115.25 2kc0 n LYS 122 Ca 0.00 -3.13 -0.12 0.00 -2.87 0.00 0.00 58.31 52.19 2kc0 n LYS 122 Cb 0.00 -0.10 -0.10 0.00 -1.84 0.00 0.00 35.03 32.99 2kc0 n LYS 122 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2kc0 s MET 123 N -4.49 0.53 -0.00 1.97 -2.45 -1.26 -0.28 119.30 113.31 2kc0 s MET 123 Ca 0.53 -0.27 0.01 0.00 -1.25 0.00 0.00 55.69 54.71 2kc0 s MET 123 Cb -0.04 0.23 0.00 0.00 1.25 0.00 0.00 34.83 36.27 2kc0 s MET 123 CO 0.34 -0.13 -0.01 0.14 1.05 0.00 0.00 175.02 176.40 2kc0 s VAL 124 N -1.24 0.13 -0.92 10.11 -7.23 -0.02 -4.94 120.40 116.28 2kc0 s VAL 124 Ca -0.13 -0.05 -0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2kc0 s VAL 124 Cb -0.06 -0.13 0.29 0.00 0.56 0.00 0.00 36.38 37.04 2kc0 s VAL 124 CO 0.02 0.05 1.26 0.00 -0.31 0.00 0.00 175.10 176.13 2kc0 n ALA 125 N 3.17 4.89 -2.56 1.32 0.00 -1.26 -1.48 120.51 124.59 2kc0 n ALA 125 Ca -0.14 -4.78 -0.43 0.00 0.00 0.00 0.00 53.44 48.08 2kc0 n ALA 125 Cb 0.58 -1.83 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 2kc0 n ALA 125 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kc0 s LYS 126 N -2.84 3.04 0.00 0.00 3.01 -1.18 -4.89 119.74 116.88 2kc0 s LYS 126 Ca 0.35 -0.95 -0.02 0.00 -1.01 0.00 0.00 55.97 54.34 2kc0 s LYS 126 Cb 0.10 -4.01 -0.08 0.00 -1.01 0.00 0.00 37.83 32.83 2kc0 s LYS 126 CO 0.05 -0.88 1.98 0.54 0.51 0.00 0.00 175.35 177.54 2kc0 n ARG 127 N 5.45 1.02 -2.62 1.68 1.74 -1.25 -4.30 116.66 118.38 2kc0 n ARG 127 Ca -0.09 -0.30 -0.43 0.00 -0.77 0.00 0.00 57.85 56.26 2kc0 n ARG 127 Cb 0.46 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.44 2kc0 n ARG 127 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2kc0 s GLN 128 N 1.00 4.25 0.18 5.56 -1.52 -0.89 -4.83 119.66 123.42 2kc0 s GLN 128 Ca 0.20 1.41 -0.18 0.00 -1.95 0.00 0.00 55.36 54.84 2kc0 s GLN 128 Cb 0.10 -3.66 -0.08 0.00 -0.22 0.00 0.00 33.01 29.15 2kc0 s GLN 128 CO 0.00 -0.65 0.65 0.12 -0.25 0.00 0.00 175.29 175.17 2kc0 s PHE 129 N 3.26 3.66 0.03 0.91 5.36 -1.26 -1.84 117.98 128.09 2kc0 s PHE 129 Ca 0.46 1.28 -0.08 0.00 -0.96 0.00 0.00 56.93 57.62 2kc0 s PHE 129 Cb -0.16 -2.53 -0.00 0.00 -0.34 0.00 0.00 43.02 39.99 2kc0 s PHE 129 CO 0.08 0.40 0.16 1.03 -1.46 0.00 0.00 175.22 175.42 2kc0 s ARG 130 N -1.86 0.61 0.32 10.12 1.81 -1.09 -4.74 118.95 124.11 2kc0 s ARG 130 Ca 0.40 -0.59 -0.24 0.00 -1.72 0.00 0.00 55.73 53.58 2kc0 s ARG 130 Cb -0.17 0.25 -0.10 0.00 -0.45 0.00 0.00 34.95 34.49 2kc0 s ARG 130 CO 0.20 -0.16 0.89 -1.50 -0.68 0.00 0.00 175.30 174.06 2kc0 s ILE 131 N -2.22 4.32 0.33 1.52 1.10 -1.26 -1.04 121.20 123.94 2kc0 s ILE 131 Ca -0.08 1.65 0.01 0.00 -0.51 0.00 0.00 60.65 61.72 2kc0 s ILE 131 Cb -0.03 -3.92 0.06 0.00 0.15 0.00 0.00 42.46 38.73 2kc0 s ILE 131 CO -0.02 0.09 0.45 0.61 -2.11 0.00 0.00 174.94 173.96 2kc0 n GLY 132 N 0.42 1.07 3.76 1.50 0.00 -0.24 -4.82 105.19 106.88 2kc0 n GLY 132 Ca 0.02 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 -2.88 5.73 -0.25 1.61 -1.08 -1.26 -4.78 116.67 113.76 2kc0 s ASP 133 Ca 0.31 2.45 -0.05 0.00 -0.52 0.00 0.00 52.55 54.74 2kc0 s ASP 133 Cb -0.02 -2.61 -0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2kc0 s ASP 133 CO 0.20 -1.23 0.01 -0.63 0.52 0.00 0.00 175.17 174.04 2kc0 s ILE 134 N -1.49 3.69 -0.10 4.11 -1.09 -1.26 -3.28 121.20 121.77 2kc0 s ILE 134 Ca 0.69 -0.53 -0.00 0.00 -2.23 0.00 0.00 60.65 58.58 2kc0 s ILE 134 Cb -0.32 -2.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.77 2kc0 s ILE 134 CO 0.38 0.29 -0.08 0.00 -1.23 0.00 0.00 174.94 174.31 2kc0 s ALA 135 N 1.50 2.90 0.00 9.38 0.00 -0.55 -5.04 121.76 129.94 2kc0 s ALA 135 Ca 0.05 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.13 2kc0 s ALA 135 Cb -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.67 2kc0 s ALA 135 CO -0.00 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2kc0 n GLY 136 N 2.85 1.89 3.56 0.00 0.00 -1.26 -1.69 105.19 110.53 2kc0 n GLY 136 Ca -0.18 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.64 2kc0 n GLY 136 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kc0 s GLU 137 N -2.00 3.36 0.32 1.61 2.02 -1.26 -4.92 118.70 117.83 2kc0 s GLU 137 Ca 0.00 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.91 2kc0 s GLU 137 Cb 0.00 -5.04 -0.11 0.00 0.10 0.00 0.00 34.13 29.08 2kc0 s GLU 137 CO 0.00 -2.34 1.44 -1.01 0.02 0.00 0.00 175.26 173.37 2kc0 s HIS 138 N 5.81 2.86 0.06 1.61 3.76 -1.26 -0.95 115.29 127.18 2kc0 s HIS 138 Ca 0.47 1.14 0.06 0.00 -0.15 0.00 0.00 55.06 56.58 2kc0 s HIS 138 Cb -0.03 -3.88 -0.03 0.00 1.11 0.00 0.00 32.58 29.76 2kc0 s HIS 138 CO -0.03 -2.68 -0.17 0.95 -0.85 0.00 0.00 174.74 171.97 2kc0 s THR 139 N -0.66 1.36 0.73 1.30 -4.23 -1.08 -4.92 115.64 108.13 2kc0 s THR 139 Ca 0.55 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.74 2kc0 s THR 139 Cb -0.44 -1.23 0.03 0.00 1.34 0.00 0.00 72.50 72.20 2kc0 s THR 139 CO 0.53 -0.01 1.08 -0.44 -0.54 0.00 0.00 174.62 175.23 2kc0 s SER 140 N -1.42 4.98 -0.08 3.99 0.01 -0.79 -3.43 113.70 116.95 2kc0 s SER 140 Ca 0.03 1.74 -0.02 0.00 1.31 0.00 0.00 55.95 59.01 2kc0 s SER 140 Cb -0.09 -2.51 -0.26 0.00 0.21 0.00 0.00 66.02 63.37 2kc0 s SER 140 CO 0.02 -1.72 0.53 2.19 0.41 0.00 0.00 173.24 174.67 2kc0 h PHE 141 N -0.84 0.38 -0.04 2.43 -0.00 -1.90 -3.42 116.94 113.56 2kc0 h PHE 141 Ca -0.44 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.97 57.24 2kc0 h PHE 141 Cb 1.22 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 2kc0 h PHE 141 CO 0.60 1.53 0.02 -3.47 -0.00 0.00 0.00 178.31 176.99 2kc0 n ASP 142 N -3.38 2.42 0.00 -0.68 2.03 -1.26 -1.68 116.55 114.00 2kc0 n ASP 142 Ca -0.26 -2.06 0.00 0.00 0.52 0.00 0.00 54.79 53.00 2kc0 n ASP 142 Cb 1.05 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2kc0 n ASP 142 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kc0 n LYS 143 N 0.29 0.00 -3.03 -0.67 -0.00 -1.26 -5.12 118.16 108.37 2kc0 n LYS 143 Ca 0.02 -0.21 -0.25 0.00 -0.00 0.00 0.00 58.31 57.88 2kc0 n LYS 143 Cb 0.46 -0.22 -0.00 0.00 -0.00 0.00 0.00 35.03 35.27 2kc0 n LYS 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kc0 s LEU 144 N 0.00 3.79 0.46 -5.58 1.43 -0.68 -5.04 118.68 113.05 2kc0 s LEU 144 Ca 0.00 0.57 0.26 0.00 -1.03 0.00 0.00 54.13 53.93 2kc0 s LEU 144 Cb 0.00 -3.46 0.86 0.00 0.03 0.00 0.00 46.19 43.62 2kc0 s LEU 144 CO 0.00 -0.50 1.80 1.55 0.23 0.00 0.00 176.35 179.43 2kc0 h PRO 145 N 0.48 0.00 -2.86 1.29 0.13 -1.97 -3.47 132.00 125.60 2kc0 h PRO 145 Ca -0.48 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.38 2kc0 h PRO 145 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2kc0 h PRO 145 CO 0.61 0.15 -0.31 0.39 -0.23 0.00 0.00 178.00 178.60 2kc0 n GLU 146 N -3.24 -1.84 -0.33 0.86 1.02 -1.26 -4.84 120.64 111.01 2kc0 n GLU 146 Ca 0.01 0.71 0.08 0.00 -0.02 0.00 0.00 57.16 57.94 2kc0 n GLU 146 Cb 0.44 -5.19 0.24 0.00 -0.02 0.00 0.00 31.44 26.92 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 -0.62 2.82 0.00 0.62 0.00 -1.26 -3.93 105.19 102.82 2kc0 n GLY 147 Ca -0.15 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.82 -0.74 3.15 -0.02 0.00 -1.26 -4.98 105.19 102.16 2kc0 n GLY 148 Ca 0.18 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.86 0.79 -0.22 1.61 1.70 -1.26 -1.57 118.95 119.15 2kc0 s ARG 149 Ca 0.00 -1.32 0.00 0.00 -0.47 0.00 0.00 55.73 53.94 2kc0 s ARG 149 Cb 0.00 -0.06 0.05 0.00 -0.57 0.00 0.00 34.95 34.37 2kc0 s ARG 149 CO 0.00 -0.07 -0.06 0.00 -1.08 0.00 0.00 175.30 174.09 2kc0 s ALA 150 N -3.74 1.87 0.35 7.88 0.00 -0.33 -4.91 121.76 122.88 2kc0 s ALA 150 Ca 0.12 -1.22 -0.25 0.00 0.00 0.00 0.00 51.96 50.60 2kc0 s ALA 150 Cb 0.06 -1.35 -0.10 0.00 0.00 0.00 0.00 23.12 21.74 2kc0 s ALA 150 CO -0.05 -1.05 0.99 0.99 0.00 0.00 0.00 175.76 176.63 2kc0 s THR 151 N 1.45 4.03 0.04 0.00 2.01 -1.26 -1.64 115.64 120.27 2kc0 s THR 151 Ca -0.04 1.62 -0.03 0.00 0.31 0.00 0.00 61.69 63.55 2kc0 s THR 151 Cb -0.18 -3.87 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 2kc0 s THR 151 CO -0.07 0.07 0.04 -0.31 -0.69 0.00 0.00 174.62 173.67 2kc0 s TYR 152 N -1.65 0.29 -0.41 4.92 2.02 0.24 -4.50 117.35 118.26 2kc0 s TYR 152 Ca 0.53 -0.66 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 2kc0 s TYR 152 Cb -0.20 -0.21 0.10 0.00 -0.40 0.00 0.00 41.96 41.25 2kc0 s TYR 152 CO 0.25 -0.35 0.21 0.50 -1.57 0.00 0.00 175.55 174.60 2kc0 s ARG 153 N -2.80 2.20 -0.18 -0.62 6.06 -0.25 -2.39 118.95 120.98 2kc0 s ARG 153 Ca -0.03 -1.71 -0.20 0.00 -2.50 0.00 0.00 55.73 51.28 2kc0 s ARG 153 Cb -0.00 -3.63 -0.03 0.00 0.06 0.00 0.00 34.95 31.35 2kc0 s ARG 153 CO -0.06 -1.03 0.61 0.20 -2.50 0.00 0.00 175.30 172.52 2kc0 s GLY 154 N 1.95 2.13 -0.19 8.12 0.00 0.16 -2.35 107.32 117.14 2kc0 s GLY 154 Ca 0.06 -0.25 -0.10 0.00 0.00 0.00 0.00 44.72 44.43 2kc0 s GLY 154 CO -0.02 1.22 0.14 -1.59 0.00 0.00 0.00 173.10 172.85 2kc0 s THR 155 N 1.67 5.41 0.13 0.90 2.01 0.05 -1.65 115.64 124.17 2kc0 s THR 155 Ca 0.28 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.55 2kc0 s THR 155 Cb -0.16 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 2kc0 s THR 155 CO 0.11 0.45 0.10 0.00 -0.69 0.00 0.00 174.62 174.59 2kc0 s ALA 156 N 0.24 3.52 -0.21 7.40 0.00 -1.23 -2.46 121.76 129.02 2kc0 s ALA 156 Ca 0.09 -1.15 -0.12 0.00 0.00 0.00 0.00 51.96 50.77 2kc0 s ALA 156 Cb -0.11 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.73 2kc0 s ALA 156 CO -0.01 0.59 0.53 -0.59 0.00 0.00 0.00 175.76 176.28 2kc0 s PHE 157 N -1.60 -0.78 0.03 0.00 -0.71 -0.66 -4.69 117.98 109.57 2kc0 s PHE 157 Ca 0.30 1.62 -0.28 0.00 -1.04 0.00 0.00 56.93 57.53 2kc0 s PHE 157 Cb -0.11 0.40 0.09 0.00 -1.21 0.00 0.00 43.02 42.20 2kc0 s PHE 157 CO 0.22 -0.41 0.89 0.20 -1.34 0.00 0.00 175.22 174.79 2kc0 s GLY 158 N 1.42 -0.43 0.00 1.99 0.00 -1.25 -1.08 107.32 107.98 2kc0 s GLY 158 Ca -0.09 0.83 0.11 0.00 0.00 0.00 0.00 44.72 45.57 2kc0 s GLY 158 CO -0.15 0.27 1.41 -1.14 0.00 0.00 0.00 173.10 173.49 2kc0 n SER 159 N -0.29 0.18 -0.07 1.64 3.41 -1.26 -2.73 113.62 114.49 2kc0 n SER 159 Ca -0.08 -1.68 -0.07 0.00 -0.26 0.00 0.00 58.87 56.78 2kc0 n SER 159 Cb 0.62 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 2kc0 n SER 159 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2kc0 n ASP 160 N -0.56 1.73 -0.40 4.04 5.68 -1.26 -4.94 116.55 120.84 2kc0 n ASP 160 Ca 0.09 0.43 0.00 0.00 -0.50 0.00 0.00 54.79 54.81 2kc0 n ASP 160 Cb 0.07 -0.77 0.00 0.00 -1.14 0.00 0.00 41.12 39.27 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 -4.35 0.00 0.00 -1.12 2.03 -1.25 -5.00 116.55 106.86 2kc0 n ASP 161 Ca -0.10 -1.10 0.00 0.00 0.52 0.00 0.00 54.79 54.11 2kc0 n ASP 161 Cb 0.38 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.76 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 -1.10 -4.05 120.51 113.68 2kc0 n ALA 162 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kc0 n ALA 162 Cb 0.52 -0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -1.10 0.54 0.00 0.00 0.00 -1.26 -1.66 105.19 101.72 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 -0.49 2.85 -0.02 0.00 -1.26 -4.97 105.19 99.30 2kc0 n GLY 164 Ca 0.00 -2.19 -0.15 0.00 0.00 0.00 0.00 46.02 43.68 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 0.14 0.20 1.61 -0.14 -1.26 -3.53 119.74 116.76 2kc0 s LYS 165 Ca 0.00 0.04 0.11 0.00 -1.36 0.00 0.00 55.97 54.76 2kc0 s LYS 165 Cb 0.00 -0.25 -0.04 0.00 -1.68 0.00 0.00 37.83 35.85 2kc0 s LYS 165 CO 0.00 -0.06 -0.23 -0.48 -0.76 0.00 0.00 175.35 173.82 2kc0 s LEU 166 N 0.51 2.46 -0.12 3.17 -0.00 -0.66 -3.91 118.68 120.14 2kc0 s LEU 166 Ca -0.05 -0.88 -0.09 0.00 -0.00 0.00 0.00 54.13 53.11 2kc0 s LEU 166 Cb -0.07 -1.17 -0.04 0.00 -0.00 0.00 0.00 46.19 44.90 2kc0 s LEU 166 CO -0.01 0.11 0.19 -0.89 -0.00 0.00 0.00 176.35 175.75 2kc0 s THR 167 N -1.76 5.41 0.08 5.48 2.01 0.18 -0.67 115.64 126.37 2kc0 s THR 167 Ca 0.22 0.33 0.06 0.00 0.31 0.00 0.00 61.69 62.60 2kc0 s THR 167 Cb -0.08 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2kc0 s THR 167 CO 0.10 0.57 -0.15 -0.47 -0.69 0.00 0.00 174.62 173.98 2kc0 s TYR 168 N -0.73 1.32 -0.01 4.92 6.14 -1.01 -1.55 117.35 126.43 2kc0 s TYR 168 Ca 0.15 -0.45 -0.06 0.00 0.64 0.00 0.00 57.07 57.35 2kc0 s TYR 168 Cb -0.13 -0.74 0.00 0.00 0.42 0.00 0.00 41.96 41.52 2kc0 s TYR 168 CO 0.05 0.08 0.13 -0.08 0.64 0.00 0.00 175.55 176.37 2kc0 s THR 169 N -1.26 0.07 -0.25 4.34 -1.32 -0.60 -0.59 115.64 116.03 2kc0 s THR 169 Ca -0.00 -0.57 0.01 0.00 -1.21 0.00 0.00 61.69 59.91 2kc0 s THR 169 Cb -0.10 -0.38 0.07 0.00 -1.51 0.00 0.00 72.50 70.58 2kc0 s THR 169 CO 0.03 -0.31 -0.03 -0.51 -2.21 0.00 0.00 174.62 171.58 2kc0 s ILE 170 N -1.11 1.52 -1.14 5.08 2.07 -0.65 -1.50 121.20 125.47 2kc0 s ILE 170 Ca -0.12 -1.32 -0.19 0.00 -1.41 0.00 0.00 60.65 57.62 2kc0 s ILE 170 Cb -0.07 -1.84 0.09 0.00 0.13 0.00 0.00 42.46 40.77 2kc0 s ILE 170 CO 0.01 -0.19 1.50 -1.81 -1.91 0.00 0.00 174.94 172.54 2kc0 s ASP 171 N 1.38 6.75 0.34 4.50 1.11 -0.72 -1.18 116.67 128.86 2kc0 s ASP 171 Ca -0.03 -2.20 0.10 0.00 0.18 0.00 0.00 52.55 50.60 2kc0 s ASP 171 Cb -0.19 -2.51 0.87 0.00 1.07 0.00 0.00 42.92 42.16 2kc0 s ASP 171 CO -0.08 -1.17 1.79 -0.26 1.18 0.00 0.00 175.17 176.63 2kc0 h PHE 172 N 8.33 0.90 0.00 4.23 0.04 -1.59 0.59 116.94 129.45 2kc0 h PHE 172 Ca 0.31 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.11 2kc0 h PHE 172 Cb 0.93 -0.27 0.00 0.00 2.20 0.00 0.00 35.95 38.81 2kc0 h PHE 172 CO 1.28 0.19 0.01 0.00 -0.60 0.00 0.00 178.31 179.19 2kc0 h ALA 173 N 1.64 1.01 0.00 2.45 0.00 -1.41 -1.71 119.26 121.24 2kc0 h ALA 173 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 2kc0 h ALA 173 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2kc0 h ALA 173 CO -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.91 2kc0 n ALA 174 N -1.85 1.95 -3.52 0.00 0.00 -0.04 -5.00 120.51 112.05 2kc0 n ALA 174 Ca -0.02 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.71 2kc0 n ALA 174 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.05 -3.44 -4.97 0.00 5.02 -0.00 -4.99 118.16 109.72 2kc0 n LYS 175 Ca 0.00 0.46 -0.32 0.00 -2.02 0.00 0.00 58.31 56.42 2kc0 n LYS 175 Cb 0.08 -5.18 -0.17 0.00 -0.02 0.00 0.00 35.03 29.75 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 -6.18 3.07 -0.29 1.97 -0.21 -1.18 -2.81 119.66 114.03 2kc0 s GLN 176 Ca 0.47 -0.85 -0.10 0.00 0.02 0.00 0.00 55.36 54.89 2kc0 s GLN 176 Cb -0.25 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.35 2kc0 s GLN 176 CO 0.57 0.11 0.15 0.20 -2.12 0.00 0.00 175.29 174.20 2kc0 s GLY 177 N 0.53 1.87 0.34 3.09 0.00 0.64 -1.76 107.32 112.03 2kc0 s GLY 177 Ca -0.14 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.41 2kc0 s GLY 177 CO 0.05 0.64 0.11 0.21 0.00 0.00 0.00 173.10 174.11 2kc0 s ASN 178 N 1.68 2.20 0.00 1.64 3.84 -0.56 -1.63 114.94 122.11 2kc0 s ASN 178 Ca 0.06 -1.52 0.00 0.00 0.21 0.00 0.00 52.86 51.61 2kc0 s ASN 178 Cb -0.16 0.26 0.00 0.00 -0.55 0.00 0.00 41.25 40.80 2kc0 s ASN 178 CO 0.08 -0.80 0.00 0.61 -2.79 0.00 0.00 177.10 174.20 2kc0 n GLY 179 N -0.72 3.83 0.00 1.21 0.00 -1.26 -1.56 105.19 106.69 2kc0 n GLY 179 Ca -0.03 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.06 2kc0 n GLY 179 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 180 N 0.00 0.00 -4.40 1.61 2.85 -0.60 -4.45 118.16 113.18 2kc0 n LYS 180 Ca 0.00 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.00 2kc0 n LYS 180 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 2kc0 n LYS 180 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2kc0 s ILE 181 N -1.62 2.67 0.00 0.58 2.07 -1.10 -0.65 121.20 123.16 2kc0 s ILE 181 Ca 0.00 -2.05 0.03 0.00 -1.41 0.00 0.00 60.65 57.22 2kc0 s ILE 181 Cb 0.00 -2.34 0.06 0.00 0.13 0.00 0.00 42.46 40.30 2kc0 s ILE 181 CO 0.00 -0.22 0.82 1.21 -1.91 0.00 0.00 174.94 174.84 2kc0 n GLU 182 N -0.15 0.00 -0.04 3.50 2.13 -1.25 -4.48 120.64 120.35 2kc0 n GLU 182 Ca -0.09 -0.72 0.12 0.00 0.66 0.00 0.00 57.16 57.12 2kc0 n GLU 182 Cb 0.57 0.02 0.16 0.00 0.27 0.00 0.00 31.44 32.46 2kc0 n GLU 182 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2kc0 n HIS 183 N 0.07 0.11 -2.21 4.31 8.25 -1.26 -5.02 115.22 119.47 2kc0 n HIS 183 Ca -0.06 -0.05 -0.32 0.00 -0.26 0.00 0.00 57.72 57.03 2kc0 n HIS 183 Cb 0.68 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.77 2kc0 n HIS 183 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2kc0 s LEU 184 N -1.89 3.48 0.59 2.41 2.01 -1.26 -4.91 118.68 119.12 2kc0 s LEU 184 Ca 0.31 1.50 0.29 0.00 0.01 0.00 0.00 54.13 56.24 2kc0 s LEU 184 Cb 0.21 -4.48 1.31 0.00 0.01 0.00 0.00 46.19 43.24 2kc0 s LEU 184 CO 0.31 -0.69 1.69 0.07 1.01 0.00 0.00 176.35 178.73 2kc0 h LYS 185 N 0.44 0.00 -4.65 1.70 2.10 -1.98 -3.41 116.57 110.77 2kc0 h LYS 185 Ca -0.46 0.00 -0.31 0.00 -2.00 0.00 0.00 60.65 57.88 2kc0 h LYS 185 Cb 1.19 0.00 -0.23 0.00 -0.90 0.00 0.00 32.23 32.29 2kc0 h LYS 185 CO 0.62 0.00 -0.75 0.45 -2.00 0.00 0.00 179.45 177.77 2kc0 s SER 186 N -4.57 0.95 0.18 7.07 0.15 -1.26 -5.07 113.70 111.15 2kc0 s SER 186 Ca -0.04 -0.46 -0.13 0.00 0.70 0.00 0.00 55.95 56.02 2kc0 s SER 186 Cb 0.16 -0.00 0.18 0.00 -1.71 0.00 0.00 66.02 64.64 2kc0 s SER 186 CO 0.54 -0.12 1.72 1.55 1.20 0.00 0.00 173.24 178.13 2kc0 h PRO 187 N 4.81 0.25 0.00 5.44 0.13 -1.98 -2.88 132.00 137.76 2kc0 h PRO 187 Ca -0.35 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.74 2kc0 h PRO 187 Cb 1.20 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kc0 h PRO 187 CO 0.43 0.17 -0.10 0.93 -0.23 0.00 0.00 178.00 179.19 2kc0 h GLU 188 N 0.26 0.00 0.00 0.86 5.08 -1.97 -2.63 114.58 116.18 2kc0 h GLU 188 Ca 0.24 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 2kc0 h GLU 188 Cb 0.31 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 2kc0 h GLU 188 CO -0.30 0.10 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.61 2kc0 h LEU 189 N 0.00 0.00 -9.65 1.33 -0.00 -1.84 -3.36 115.31 101.79 2kc0 h LEU 189 Ca -0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 57.88 57.36 2kc0 h LEU 189 Cb 0.22 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 40.89 2kc0 h LEU 189 CO 0.01 0.13 0.53 0.20 -0.00 0.00 0.00 178.44 179.31 2kc0 s ASN 190 N -6.01 7.15 0.06 -0.43 0.01 -0.99 -3.14 114.94 111.58 2kc0 s ASN 190 Ca -0.01 2.17 0.02 0.00 -0.71 0.00 0.00 52.86 54.33 2kc0 s ASN 190 Cb 0.11 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.13 2kc0 s ASN 190 CO 0.58 -0.32 0.07 0.68 -1.51 0.00 0.00 177.10 176.60 2kc0 s VAL 191 N -0.07 4.50 0.30 1.60 -7.23 -1.26 -4.48 120.40 113.76 2kc0 s VAL 191 Ca 0.52 -0.71 -0.20 0.00 -1.81 0.00 0.00 61.98 59.78 2kc0 s VAL 191 Cb -0.31 -3.14 -0.09 0.00 0.56 0.00 0.00 36.38 33.40 2kc0 s VAL 191 CO 0.36 0.18 0.80 -1.81 -0.31 0.00 0.00 175.10 174.31 2kc0 s ASP 192 N -2.22 7.01 -0.12 4.85 1.11 -1.26 -2.69 116.67 123.35 2kc0 s ASP 192 Ca 0.27 1.49 -0.07 0.00 0.18 0.00 0.00 52.55 54.42 2kc0 s ASP 192 Cb -0.12 -2.45 -0.04 0.00 1.07 0.00 0.00 42.92 41.38 2kc0 s ASP 192 CO 0.20 -0.11 0.14 -0.76 1.18 0.00 0.00 175.17 175.82 2kc0 s LEU 193 N -2.45 4.38 -0.35 1.23 1.02 -1.26 -3.80 118.68 117.46 2kc0 s LEU 193 Ca 0.50 0.47 -0.29 0.00 0.02 0.00 0.00 54.13 54.83 2kc0 s LEU 193 Cb -0.14 -2.07 0.02 0.00 0.02 0.00 0.00 46.19 44.02 2kc0 s LEU 193 CO 0.19 0.41 1.10 0.00 0.02 0.00 0.00 176.35 178.08 2kc0 s ALA 194 N -1.03 3.42 0.00 4.21 0.00 -0.43 -4.42 121.76 123.51 2kc0 s ALA 194 Ca 0.15 -0.14 -0.37 0.00 0.00 0.00 0.00 51.96 51.61 2kc0 s ALA 194 Cb -0.12 -3.73 -0.15 0.00 0.00 0.00 0.00 23.12 19.12 2kc0 s ALA 194 CO 0.04 -1.67 1.54 0.00 0.00 0.00 0.00 175.76 175.67 2kc0 n ALA 195 N 7.13 -0.11 -2.87 0.00 0.00 -1.26 -4.02 120.51 119.37 2kc0 n ALA 195 Ca 0.12 0.45 -0.13 0.00 0.00 0.00 0.00 53.44 53.88 2kc0 n ALA 195 Cb 0.47 -2.21 -0.12 0.00 0.00 0.00 0.00 19.45 17.59 2kc0 n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kc0 s ALA 196 N 1.66 0.40 0.41 0.00 0.00 -0.64 -4.97 121.76 118.62 2kc0 s ALA 196 Ca 0.87 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 52.25 2kc0 s ALA 196 Cb -0.89 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 2kc0 s ALA 196 CO 0.50 -0.03 0.65 0.16 0.00 0.00 0.00 175.76 177.04 2kc0 s ASP 197 N -1.16 6.23 0.22 0.00 -4.77 -1.26 -0.26 116.67 115.66 2kc0 s ASP 197 Ca -0.08 0.61 -0.31 0.00 -3.30 0.00 0.00 52.55 49.47 2kc0 s ASP 197 Cb -0.08 -2.06 -0.10 0.00 -1.09 0.00 0.00 42.92 39.59 2kc0 s ASP 197 CO -0.00 -0.44 1.50 -0.63 0.70 0.00 0.00 175.17 176.30 2kc0 s ILE 198 N -2.50 2.61 0.07 2.11 -1.09 -1.12 -4.14 121.20 117.14 2kc0 s ILE 198 Ca 0.43 0.48 0.07 0.00 -2.23 0.00 0.00 60.65 59.40 2kc0 s ILE 198 Cb -0.10 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 2kc0 s ILE 198 CO 0.39 0.06 -0.13 -0.54 -1.23 0.00 0.00 174.94 173.50 2kc0 s LYS 199 N 0.26 2.15 0.58 2.79 -0.14 -0.16 -4.99 119.74 120.23 2kc0 s LYS 199 Ca 0.64 -0.97 -0.13 0.00 -1.36 0.00 0.00 55.97 54.15 2kc0 s LYS 199 Cb -0.43 -2.28 -0.05 0.00 -1.68 0.00 0.00 37.83 33.38 2kc0 s LYS 199 CO 0.38 0.53 1.01 -1.25 -0.76 0.00 0.00 175.35 175.27 2kc0 s PRO 200 N -1.82 3.71 0.05 -1.68 0.04 -1.26 -3.03 135.00 131.00 2kc0 s PRO 200 Ca 0.18 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 62.05 2kc0 s PRO 200 Cb -0.11 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 2kc0 s PRO 200 CO 0.10 -0.48 -0.04 -3.47 0.04 0.00 0.00 177.00 173.15 2kc0 n ASP 201 N -2.30 0.96 0.00 6.66 2.03 -1.22 -4.95 116.55 117.73 2kc0 n ASP 201 Ca 0.06 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.50 2kc0 n ASP 201 Cb 0.54 -0.32 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 2kc0 n ASP 201 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kc0 n GLY 202 N 3.21 2.07 2.35 0.27 0.00 -1.26 -5.01 105.19 106.82 2kc0 n GLY 202 Ca -0.02 -0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2kc0 n GLY 202 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kc0 n LYS 203 N 0.00 2.27 -0.63 1.61 0.00 -1.26 -4.65 118.16 115.50 2kc0 n LYS 203 Ca 0.00 -2.09 0.00 0.00 -0.00 0.00 0.00 58.31 56.22 2kc0 n LYS 203 Cb 0.00 -2.05 0.00 0.00 -0.00 0.00 0.00 35.03 32.98 2kc0 n LYS 203 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 2kc0 n ARG 204 N 0.97 -0.00 -2.30 -1.58 1.85 -1.26 -5.00 116.66 109.33 2kc0 n ARG 204 Ca 0.45 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.97 2kc0 n ARG 204 Cb 0.59 -3.99 -0.01 0.00 -1.05 0.00 0.00 32.46 28.00 2kc0 n ARG 204 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 2kc0 s HIS 205 N -1.77 3.06 0.07 2.89 3.76 -1.26 -1.89 115.29 120.15 2kc0 s HIS 205 Ca 0.00 1.53 0.04 0.00 -0.15 0.00 0.00 55.06 56.49 2kc0 s HIS 205 Cb 0.00 -3.00 -0.03 0.00 1.11 0.00 0.00 32.58 30.66 2kc0 s HIS 205 CO 0.00 -0.89 -0.12 0.00 -0.85 0.00 0.00 174.74 172.88 2kc0 s ALA 206 N -2.28 1.06 -0.03 -1.40 0.00 -1.22 -3.46 121.76 114.43 2kc0 s ALA 206 Ca 0.64 -1.01 -0.09 0.00 0.00 0.00 0.00 51.96 51.51 2kc0 s ALA 206 Cb -0.15 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2kc0 s ALA 206 CO 0.29 0.09 0.20 0.08 0.00 0.00 0.00 175.76 176.41 2kc0 s VAL 207 N -1.58 0.05 -0.18 0.00 1.01 -1.17 -3.78 120.40 114.74 2kc0 s VAL 207 Ca -0.01 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 2kc0 s VAL 207 Cb -0.08 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.86 2kc0 s VAL 207 CO 0.02 -0.21 -0.03 -0.63 0.00 0.00 0.00 175.10 174.24 2kc0 s ILE 208 N -0.80 3.73 -0.32 2.22 -1.09 -0.43 -0.99 121.20 123.53 2kc0 s ILE 208 Ca -0.09 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 2kc0 s ILE 208 Cb -0.05 -2.66 0.09 0.00 -1.58 0.00 0.00 42.46 38.26 2kc0 s ILE 208 CO 0.02 0.45 0.02 -0.44 -1.23 0.00 0.00 174.94 173.76 2kc0 s SER 209 N 0.85 4.68 0.38 3.58 0.01 -1.26 -2.84 113.70 119.10 2kc0 s SER 209 Ca -0.01 -1.99 0.06 0.00 1.31 0.00 0.00 55.95 55.33 2kc0 s SER 209 Cb -0.14 -1.59 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2kc0 s SER 209 CO 0.02 -0.34 0.21 -0.83 0.41 0.00 0.00 173.24 172.70 2kc0 s GLY 210 N 0.96 2.56 0.17 3.44 0.00 -1.07 -4.76 107.32 108.62 2kc0 s GLY 210 Ca 0.07 -1.58 0.08 0.00 0.00 0.00 0.00 44.72 43.29 2kc0 s GLY 210 CO -0.08 -1.67 -0.03 -0.56 0.00 0.00 0.00 173.10 170.76 2kc0 s SER 211 N -3.51 4.61 -0.03 1.64 0.01 -1.26 -1.40 113.70 113.76 2kc0 s SER 211 Ca 0.31 -0.44 0.01 0.00 1.31 0.00 0.00 55.95 57.14 2kc0 s SER 211 Cb 0.02 -0.93 0.02 0.00 0.21 0.00 0.00 66.02 65.34 2kc0 s SER 211 CO 0.21 0.10 -0.02 -0.69 0.41 0.00 0.00 173.24 173.26 2kc0 s VAL 212 N -1.67 0.29 0.13 3.43 1.01 -0.87 -1.32 120.40 121.41 2kc0 s VAL 212 Ca 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 2kc0 s VAL 212 Cb -0.09 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.97 2kc0 s VAL 212 CO 0.17 0.15 0.17 0.18 0.00 0.00 0.00 175.10 175.77 2kc0 n LEU 213 N 3.90 0.00 -3.60 3.92 4.77 -1.25 -0.40 117.00 124.33 2kc0 n LEU 213 Ca -0.24 -0.18 -0.07 0.00 -0.03 0.00 0.00 56.01 55.49 2kc0 n LEU 213 Cb 0.52 -0.13 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2kc0 n LEU 213 CO 0.23 -0.70 0.06 -0.47 -1.33 0.00 0.00 177.39 175.18 2kc0 s TYR 214 N -1.36 -0.92 -1.43 -1.77 5.04 -0.68 -4.57 117.35 111.67 2kc0 s TYR 214 Ca 0.10 1.59 -0.09 0.00 -2.44 0.00 0.00 57.07 56.22 2kc0 s TYR 214 Cb -0.00 0.37 0.04 0.00 0.35 0.00 0.00 41.96 42.72 2kc0 s TYR 214 CO 0.07 -0.55 1.00 -1.71 -1.34 0.00 0.00 175.55 173.02 2kc0 n ASN 215 N 5.40 -4.54 -4.02 4.32 5.15 -1.19 -1.08 115.26 119.30 2kc0 n ASN 215 Ca -0.08 -0.70 -0.33 0.00 -0.60 0.00 0.00 54.58 52.86 2kc0 n ASN 215 Cb 0.49 -4.34 -0.02 0.00 -0.53 0.00 0.00 39.78 35.38 2kc0 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kc0 n GLN 216 N -4.69 -3.08 0.00 1.20 1.13 -1.26 -4.86 117.38 105.82 2kc0 n GLN 216 Ca -0.04 0.37 0.00 0.00 -1.94 0.00 0.00 57.00 55.39 2kc0 n GLN 216 Cb 0.57 -5.09 0.00 0.00 0.11 0.00 0.00 30.24 25.83 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 -4.14 0.00 -0.93 -1.58 0.00 -0.24 -5.14 120.51 108.48 2kc0 n ALA 217 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kc0 n ALA 217 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kc0 n ALA 217 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kc0 n GLU 218 N 0.00 0.00 -3.15 0.00 4.07 -1.25 -1.68 120.64 118.63 2kc0 n GLU 218 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2kc0 n GLU 218 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 2kc0 n GLU 218 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 2kc0 s LYS 219 N 0.00 0.53 0.20 5.31 2.20 -1.26 -4.76 119.74 121.96 2kc0 s LYS 219 Ca 0.00 0.78 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 2kc0 s LYS 219 Cb 0.00 0.42 0.01 0.00 -1.51 0.00 0.00 37.83 36.75 2kc0 s LYS 219 CO 0.00 -0.72 0.12 0.41 -0.36 0.00 0.00 175.35 174.79 2kc0 n GLY 220 N 5.42 3.19 3.30 5.54 0.00 0.46 -3.36 105.19 119.75 2kc0 n GLY 220 Ca 0.01 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.18 0.09 0.08 1.61 1.04 0.06 -2.04 113.70 112.36 2kc0 s SER 221 Ca 0.09 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.64 2kc0 s SER 221 Cb -0.01 0.41 -0.03 0.00 0.10 0.00 0.00 66.02 66.49 2kc0 s SER 221 CO 0.06 -0.86 -0.10 -0.72 0.98 0.00 0.00 173.24 172.60 2kc0 s TYR 222 N -3.97 0.96 -0.04 5.02 1.13 -0.49 -1.60 117.35 118.36 2kc0 s TYR 222 Ca 0.17 -0.62 0.02 0.00 -1.41 0.00 0.00 57.07 55.23 2kc0 s TYR 222 Cb 0.04 -0.54 0.01 0.00 -1.10 0.00 0.00 41.96 40.37 2kc0 s TYR 222 CO -0.00 -0.03 -0.08 0.45 -2.51 0.00 0.00 175.55 173.38 2kc0 s SER 223 N -2.21 1.19 0.04 -0.18 0.15 -0.10 -2.59 113.70 109.99 2kc0 s SER 223 Ca 0.01 -0.18 -0.14 0.00 0.70 0.00 0.00 55.95 56.34 2kc0 s SER 223 Cb -0.05 -0.45 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 2kc0 s SER 223 CO -0.00 0.02 0.32 -1.48 1.20 0.00 0.00 173.24 173.30 2kc0 s LEU 224 N 0.50 0.82 0.28 3.45 0.05 -1.13 -0.77 118.68 121.88 2kc0 s LEU 224 Ca -0.08 -0.14 0.08 0.00 0.05 0.00 0.00 54.13 54.04 2kc0 s LEU 224 Cb -0.12 1.39 -0.06 0.00 -2.05 0.00 0.00 46.19 45.36 2kc0 s LEU 224 CO 0.01 -0.60 -0.10 -0.83 -0.55 0.00 0.00 176.35 174.28 2kc0 s GLY 225 N -1.97 1.82 -0.31 -3.48 0.00 -0.70 -1.31 107.32 101.37 2kc0 s GLY 225 Ca -0.06 -1.88 -0.15 0.00 0.00 0.00 0.00 44.72 42.63 2kc0 s GLY 225 CO -0.02 -1.87 0.37 -0.42 0.00 0.00 0.00 173.10 171.15 2kc0 s ILE 226 N -2.88 5.17 -0.03 0.90 -1.09 -1.25 -3.30 121.20 118.72 2kc0 s ILE 226 Ca 0.29 0.29 0.07 0.00 -2.23 0.00 0.00 60.65 59.06 2kc0 s ILE 226 Cb 0.02 -3.77 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 2kc0 s ILE 226 CO 0.12 0.02 -0.23 -0.36 -1.23 0.00 0.00 174.94 173.25 2kc0 s PHE 227 N 2.06 2.41 0.00 3.97 0.08 -0.70 -2.63 117.98 123.17 2kc0 s PHE 227 Ca 0.13 -0.39 0.00 0.00 0.12 0.00 0.00 56.93 56.79 2kc0 s PHE 227 Cb -0.16 -1.53 0.00 0.00 -0.57 0.00 0.00 43.02 40.76 2kc0 s PHE 227 CO 0.11 0.00 0.00 0.41 -0.10 0.00 0.00 175.22 175.64 2kc0 n GLY 228 N 2.43 -0.78 0.35 4.36 0.00 -0.12 -0.63 105.19 110.81 2kc0 n GLY 228 Ca -0.16 -1.44 0.18 0.00 0.00 0.00 0.00 46.02 44.59 2kc0 n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kc0 h GLY 229 N 0.00 0.00 -3.94 -0.02 0.00 -1.95 -0.46 103.07 96.70 2kc0 h GLY 229 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 46.92 2kc0 h GLY 229 CO 0.00 0.00 -0.88 0.28 0.00 0.00 0.00 176.54 175.94 2kc0 n LYS 230 N -3.66 2.84 -3.57 4.80 5.02 -1.26 -5.00 118.16 117.32 2kc0 n LYS 230 Ca 0.03 -3.85 -0.21 0.00 -2.02 0.00 0.00 58.31 52.25 2kc0 n LYS 230 Cb 0.42 -1.97 0.05 0.00 -0.02 0.00 0.00 35.03 33.50 2kc0 n LYS 230 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kc0 n ALA 231 N -0.67 -2.22 0.01 7.82 0.00 -0.18 -4.92 120.51 120.34 2kc0 n ALA 231 Ca 0.31 -0.10 0.03 0.00 0.00 0.00 0.00 53.44 53.67 2kc0 n ALA 231 Cb 0.91 -3.25 0.38 0.00 0.00 0.00 0.00 19.45 17.49 2kc0 n ALA 231 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2kc0 h GLN 232 N -1.71 0.52 -3.06 0.00 1.08 -1.03 -3.46 115.11 107.44 2kc0 h GLN 232 Ca -0.62 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 56.48 2kc0 h GLN 232 Cb 1.35 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 2kc0 h GLN 232 CO 0.51 0.42 0.25 -1.83 -0.95 0.00 0.00 178.83 177.24 2kc0 s GLU 233 N -5.28 2.26 -0.00 1.46 4.04 -0.96 -3.57 118.70 116.64 2kc0 s GLU 233 Ca -0.08 -1.49 -0.00 0.00 0.04 0.00 0.00 54.97 53.44 2kc0 s GLU 233 Cb 0.17 0.62 0.01 0.00 0.02 0.00 0.00 34.13 34.94 2kc0 s GLU 233 CO 0.74 -1.05 0.01 0.14 -1.84 0.00 0.00 175.26 173.26 2kc0 s VAL 234 N -2.23 -0.01 0.15 1.83 -7.23 -0.46 -1.72 120.40 110.72 2kc0 s VAL 234 Ca 0.17 0.04 -0.06 0.00 -1.81 0.00 0.00 61.98 60.32 2kc0 s VAL 234 Cb -0.05 -0.02 -0.02 0.00 0.56 0.00 0.00 36.38 36.85 2kc0 s VAL 234 CO 0.12 0.02 0.19 0.00 -0.31 0.00 0.00 175.10 175.12 2kc0 s ALA 235 N 0.20 0.32 0.00 1.32 0.00 -1.21 -0.76 121.76 121.63 2kc0 s ALA 235 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2kc0 s ALA 235 Cb -0.02 0.83 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2kc0 s ALA 235 CO -0.01 -0.58 0.00 0.41 0.00 0.00 0.00 175.76 175.59 2kc0 n GLY 236 N -0.16 -0.60 3.50 0.00 0.00 -1.00 -1.71 105.19 105.23 2kc0 n GLY 236 Ca -0.07 -0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.58 0.05 1.61 1.04 0.05 -1.12 113.70 110.74 2kc0 s SER 237 Ca 0.00 0.45 0.07 0.00 0.48 0.00 0.00 55.95 56.96 2kc0 s SER 237 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 2kc0 s SER 237 CO 0.00 -0.67 -0.20 0.00 0.98 0.00 0.00 173.24 173.35 2kc0 s ALA 238 N -1.95 1.72 -0.01 5.32 0.00 0.40 -0.92 121.76 126.31 2kc0 s ALA 238 Ca -0.06 -1.06 0.04 0.00 0.00 0.00 0.00 51.96 50.88 2kc0 s ALA 238 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 23.12 22.78 2kc0 s ALA 238 CO 0.02 0.38 -0.14 -2.00 0.00 0.00 0.00 175.76 174.02 2kc0 s GLU 239 N -1.24 1.16 0.00 0.00 2.12 -0.62 -0.65 118.70 119.47 2kc0 s GLU 239 Ca 0.07 -0.49 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2kc0 s GLU 239 Cb -0.09 -1.11 -0.00 0.00 0.26 0.00 0.00 34.13 33.19 2kc0 s GLU 239 CO 0.02 0.29 -0.01 0.54 -0.54 0.00 0.00 175.26 175.55 2kc0 s VAL 240 N -0.28 0.10 -0.64 3.70 0.11 -0.54 -0.76 120.40 122.10 2kc0 s VAL 240 Ca 0.04 -0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 58.83 2kc0 s VAL 240 Cb -0.06 -0.10 0.16 0.00 -1.53 0.00 0.00 36.38 34.85 2kc0 s VAL 240 CO -0.00 -0.01 0.59 -0.54 -3.33 0.00 0.00 175.10 171.81 2kc0 s LYS 241 N -0.12 3.20 0.55 1.54 1.02 -1.21 -0.77 119.74 123.94 2kc0 s LYS 241 Ca -0.01 -1.95 -0.07 0.00 0.02 0.00 0.00 55.97 53.96 2kc0 s LYS 241 Cb -0.01 -4.34 -0.03 0.00 -0.52 0.00 0.00 37.83 32.93 2kc0 s LYS 241 CO -0.00 -1.32 0.89 0.99 -0.92 0.00 0.00 175.35 174.99 2kc0 s THR 242 N 1.15 4.54 0.63 2.17 2.01 -0.59 -4.44 115.64 121.10 2kc0 s THR 242 Ca 0.08 0.37 0.32 0.00 0.31 0.00 0.00 61.69 62.77 2kc0 s THR 242 Cb -0.23 -3.77 0.32 0.00 0.01 0.00 0.00 72.50 68.83 2kc0 s THR 242 CO -0.01 -0.85 1.97 -0.37 -0.69 0.00 0.00 174.62 174.67 2kc0 h VAL 243 N -0.05 0.00 -0.44 3.82 -1.51 -2.01 0.82 116.25 116.88 2kc0 h VAL 243 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2kc0 h VAL 243 Cb 1.21 0.71 0.00 0.00 -2.13 0.00 0.00 31.29 31.08 2kc0 h VAL 243 CO 0.62 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.55 2kc0 n ASN 244 N -2.88 3.08 0.00 4.19 3.02 -1.26 -5.07 115.26 116.34 2kc0 n ASN 244 Ca -0.02 -2.21 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 2kc0 n ASN 244 Cb 0.32 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 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 0.97 -3.00 3.77 7.41 0.00 0.28 -5.02 105.19 109.60 2kc0 n GLY 245 Ca 0.17 -2.10 -0.40 0.00 0.00 0.00 0.00 46.02 43.68 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 -0.53 2.83 0.03 -0.61 1.10 -1.26 -1.55 121.20 121.21 2kc0 s ILE 246 Ca 0.00 0.82 0.07 0.00 -0.51 0.00 0.00 60.65 61.04 2kc0 s ILE 246 Cb 0.00 -3.52 -0.02 0.00 0.15 0.00 0.00 42.46 39.07 2kc0 s ILE 246 CO 0.00 0.19 -0.21 -0.13 -2.11 0.00 0.00 174.94 172.68 2kc0 s ARG 247 N -1.79 1.51 -0.09 3.50 1.81 0.05 -4.92 118.95 119.02 2kc0 s ARG 247 Ca 0.49 -0.91 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 2kc0 s ARG 247 Cb -0.38 -1.59 -0.03 0.00 -0.45 0.00 0.00 34.95 32.50 2kc0 s ARG 247 CO 0.51 0.41 -0.03 -1.01 -0.68 0.00 0.00 175.30 174.50 2kc0 s HIS 248 N -0.73 3.05 0.01 -0.53 3.76 -1.26 -1.47 115.29 118.11 2kc0 s HIS 248 Ca 0.08 0.05 0.02 0.00 -0.15 0.00 0.00 55.06 55.06 2kc0 s HIS 248 Cb -0.09 -1.79 -0.01 0.00 1.11 0.00 0.00 32.58 31.81 2kc0 s HIS 248 CO 0.01 0.34 -0.06 0.42 -0.85 0.00 0.00 174.74 174.60 2kc0 s ILE 249 N -0.65 0.43 0.37 0.60 1.01 0.18 -4.51 121.20 118.62 2kc0 s ILE 249 Ca 0.10 -0.40 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 2kc0 s ILE 249 Cb -0.12 -0.39 -0.08 0.00 0.01 0.00 0.00 42.46 41.88 2kc0 s ILE 249 CO 0.02 0.01 0.75 -0.83 0.00 0.00 0.00 174.94 174.89 2kc0 s GLY 250 N -0.43 2.12 -0.05 6.18 0.00 -0.24 -0.46 107.32 114.45 2kc0 s GLY 250 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 44.72 44.64 2kc0 s GLY 250 CO -0.00 0.10 -0.09 1.08 0.00 0.00 0.00 173.10 174.19 2kc0 s LEU 251 N -3.46 3.05 -0.35 0.66 2.01 -0.28 -3.43 118.68 116.88 2kc0 s LEU 251 Ca 0.52 -0.10 0.04 0.00 0.01 0.00 0.00 54.13 54.61 2kc0 s LEU 251 Cb -0.10 -1.68 0.17 0.00 0.01 0.00 0.00 46.19 44.58 2kc0 s LEU 251 CO 0.25 0.34 0.47 0.00 1.01 0.00 0.00 176.35 178.42 2kc0 s ALA 252 N -0.84 -1.31 -0.26 4.21 0.00 -1.03 -2.38 121.76 120.16 2kc0 s ALA 252 Ca 0.13 -0.15 0.01 0.00 0.00 0.00 0.00 51.96 51.95 2kc0 s ALA 252 Cb -0.11 -2.27 0.05 0.00 0.00 0.00 0.00 23.12 20.78 2kc0 s ALA 252 CO 0.03 -2.02 -0.08 0.00 0.00 0.00 0.00 175.76 173.69 2kc0 s ALA 253 N 1.99 2.63 0.15 0.00 0.00 0.06 -0.77 121.76 125.81 2kc0 s ALA 253 Ca 0.14 -1.63 0.10 0.00 0.00 0.00 0.00 51.96 50.56 2kc0 s ALA 253 Cb -0.11 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 2kc0 s ALA 253 CO -0.15 -1.02 -0.22 -1.59 0.00 0.00 0.00 175.76 172.78 2kc0 s LYS 254 N 1.21 1.31 0.00 0.00 0.00 -0.99 -1.36 119.74 119.91 2kc0 s LYS 254 Ca -0.04 -1.35 0.00 0.00 0.00 0.00 0.00 55.97 54.58 2kc0 s LYS 254 Cb -0.18 -1.57 0.00 0.00 0.00 0.00 0.00 37.83 36.08 2kc0 s LYS 254 CO -0.05 0.35 0.39 0.94 0.00 0.00 0.00 175.35 176.98