#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0g n ASN 2 N 0.00 5.08 -4.61 6.12 4.13 -1.26 -5.02 115.26 119.70 3h0g n ASN 2 Ca 0.00 -3.75 -0.41 0.00 1.68 0.00 0.00 54.58 52.10 3h0g n ASN 2 Cb 0.00 -0.40 -0.06 0.00 -1.54 0.00 0.00 39.78 37.78 3h0g n ASN 2 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 3h0g s GLN 3 N -3.61 3.96 0.69 3.52 -0.21 -1.26 -5.03 119.66 117.72 3h0g s GLN 3 Ca 0.51 0.38 -0.17 0.00 0.02 0.00 0.00 55.36 56.11 3h0g s GLN 3 Cb 0.41 -3.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.70 3h0g s GLN 3 CO -0.00 -0.54 0.94 -2.30 -2.12 0.00 0.00 175.29 171.27 3h0g n PRO 4 N 5.86 0.61 -2.21 2.91 -0.02 -1.26 -4.86 135.00 136.02 3h0g n PRO 4 Ca -0.01 0.26 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 3h0g n PRO 4 Cb 0.49 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3h0g n PRO 4 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h0g s GLU 5 N -3.14 4.27 0.21 -0.52 0.41 -1.26 -4.93 118.70 113.75 3h0g s GLU 5 Ca 0.74 1.98 -0.09 0.00 -0.41 0.00 0.00 54.97 57.19 3h0g s GLU 5 Cb -0.36 -3.60 0.16 0.00 -1.78 0.00 0.00 34.13 28.55 3h0g s GLU 5 CO 0.49 -0.60 1.82 0.00 -0.49 0.00 0.00 175.26 176.49 3h0g h ARG 6 N 7.93 1.11 0.00 1.61 3.08 -2.02 0.57 114.38 126.66 3h0g h ARG 6 Ca -0.38 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.53 3h0g h ARG 6 Cb 1.18 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3h0g h ARG 6 CO 0.91 0.84 -0.01 0.10 -1.07 0.00 0.00 179.97 180.73 3h0g h TYR 7 N 1.10 0.00 -0.06 3.04 -0.00 -1.96 0.63 116.97 119.71 3h0g h TYR 7 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.00 3h0g h TYR 7 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.79 3h0g h TYR 7 CO 0.01 0.01 0.00 -1.91 -0.00 0.00 0.00 178.16 176.27 3h0g n GLU 8 N -3.21 1.31 -0.10 0.10 2.13 0.19 -2.39 120.64 118.66 3h0g n GLU 8 Ca -0.02 -0.28 -0.12 0.00 0.66 0.00 0.00 57.16 57.39 3h0g n GLU 8 Cb 0.12 -1.41 -0.14 0.00 0.27 0.00 0.00 31.44 30.28 3h0g n GLU 8 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3h0g n LEU 9 N -0.05 0.88 -2.64 4.31 0.00 0.22 -4.69 117.00 115.03 3h0g n LEU 9 Ca 0.03 -0.04 -0.30 0.00 0.00 0.00 0.00 56.01 55.70 3h0g n LEU 9 Cb 0.25 0.08 0.00 0.00 0.00 0.00 0.00 43.42 43.76 3h0g n LEU 9 CO 0.03 0.61 0.47 -0.38 0.00 0.00 0.00 177.39 178.11 3h0g n ILE 10 N -2.87 2.78 -3.19 1.96 5.41 -1.01 -4.79 119.36 117.65 3h0g n ILE 10 Ca -0.35 -4.92 0.05 0.00 1.00 0.00 0.00 62.75 58.52 3h0g n ILE 10 Cb 1.08 -1.29 -0.02 0.00 -0.71 0.00 0.00 39.64 38.71 3h0g n ILE 10 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3h0g s GLU 11 N -3.65 0.20 -0.30 0.38 2.12 -1.21 -5.05 118.70 111.18 3h0g s GLU 11 Ca 0.49 0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.91 3h0g s GLU 11 Cb 0.39 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.98 3h0g s GLU 11 CO -0.22 -0.18 1.64 -0.48 -0.54 0.00 0.00 175.26 175.48 3h0g s LEU 12 N 2.79 3.69 -1.08 2.70 0.05 -1.26 -4.79 118.68 120.77 3h0g s LEU 12 Ca -0.01 1.35 -0.23 0.00 0.05 0.00 0.00 54.13 55.29 3h0g s LEU 12 Cb -0.09 -3.53 -0.11 0.00 -2.05 0.00 0.00 46.19 40.41 3h0g s LEU 12 CO -0.13 -1.45 1.93 0.23 -0.55 0.00 0.00 176.35 176.38 3h0g n MET 13 N 8.02 1.49 -2.06 1.48 2.81 -1.26 -3.80 117.12 123.81 3h0g n MET 13 Ca 0.20 -2.30 -0.12 0.00 -1.81 0.00 0.00 57.70 53.67 3h0g n MET 13 Cb 0.46 -3.56 -0.02 0.00 -0.71 0.00 0.00 33.22 29.39 3h0g n MET 13 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h0g n GLY 14 N 5.54 0.10 3.73 3.03 0.00 -1.26 -4.91 105.19 111.42 3h0g n GLY 14 Ca 0.46 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.13 3h0g n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h0g s LEU 15 N -4.92 4.20 -0.41 0.99 1.43 -1.25 -5.02 118.68 113.70 3h0g s LEU 15 Ca 0.00 0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 53.05 3h0g s LEU 15 Cb 0.00 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 3h0g s LEU 15 CO 0.00 0.18 2.05 -2.84 0.23 0.00 0.00 176.35 175.97 3h0g s PRO 16 N 0.35 2.83 0.06 1.29 0.02 -1.26 -4.82 135.00 133.46 3h0g s PRO 16 Ca 0.08 1.36 -0.12 0.00 0.02 0.00 0.00 61.00 62.35 3h0g s PRO 16 Cb -0.11 -4.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.01 3h0g s PRO 16 CO -0.02 -2.46 0.99 1.17 -0.33 0.00 0.00 177.00 176.36 3h0g n LYS 17 N 8.81 -0.16 -3.92 5.54 4.81 -1.26 -4.38 118.16 127.60 3h0g n LYS 17 Ca 0.27 0.98 -0.32 0.00 -0.87 0.00 0.00 58.31 58.38 3h0g n LYS 17 Cb 0.50 -1.46 -0.04 0.00 0.02 0.00 0.00 35.03 34.05 3h0g n LYS 17 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3h0g s VAL 18 N -4.13 5.35 -0.09 3.15 1.01 -1.26 -0.55 120.40 123.88 3h0g s VAL 18 Ca -0.04 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 3h0g s VAL 18 Cb 0.04 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.88 3h0g s VAL 18 CO 0.23 0.19 0.19 0.42 0.00 0.00 0.00 175.10 176.13 3h0g s THR 19 N -1.46 -0.13 -0.24 3.92 -4.23 -1.21 -4.95 115.64 107.34 3h0g s THR 19 Ca 0.33 0.22 -0.04 0.00 -1.18 0.00 0.00 61.69 61.02 3h0g s THR 19 Cb -0.13 -0.32 0.01 0.00 1.34 0.00 0.00 72.50 73.40 3h0g s THR 19 CO 0.25 0.09 -0.03 -0.47 -0.54 0.00 0.00 174.62 173.92 3h0g s TYR 20 N 1.56 3.02 -0.10 3.99 5.04 -1.26 -1.87 117.35 127.73 3h0g s TYR 20 Ca -0.06 -1.15 -0.04 0.00 -2.44 0.00 0.00 57.07 53.38 3h0g s TYR 20 Cb -0.11 -2.12 0.05 0.00 0.35 0.00 0.00 41.96 40.13 3h0g s TYR 20 CO -0.07 -0.61 0.22 -1.21 -1.34 0.00 0.00 175.55 172.54 3h0g s GLU 21 N 1.43 0.15 1.26 4.97 2.02 -1.17 -4.99 118.70 122.37 3h0g s GLU 21 Ca 0.03 0.56 -0.20 0.00 0.02 0.00 0.00 54.97 55.39 3h0g s GLU 21 Cb -0.15 -0.13 0.31 0.00 0.10 0.00 0.00 34.13 34.25 3h0g s GLU 21 CO -0.03 -0.21 0.69 1.28 0.02 0.00 0.00 175.26 177.01 3h0g n LEU 22 N 4.65 0.00 0.00 1.80 4.77 -1.26 -1.27 117.00 125.69 3h0g n LEU 22 Ca -0.18 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3h0g n LEU 22 Cb 0.51 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3h0g n LEU 22 CO 0.11 -2.66 0.00 -0.67 -1.33 0.00 0.00 177.39 172.84 3h0g n ASP 23 N -4.22 0.00 0.00 -1.43 -0.08 -1.02 -4.61 116.55 105.19 3h0g n ASP 23 Ca 0.11 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.39 3h0g n ASP 23 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 3h0g n ASP 23 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3h0g n SER 24 N 0.00 0.00 -3.41 1.67 2.88 -1.26 -4.75 113.62 108.76 3h0g n SER 24 Ca 0.00 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.28 3h0g n SER 24 Cb 0.00 0.19 0.02 0.00 -0.75 0.00 0.00 64.21 63.67 3h0g n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3h0g n LYS 25 N -1.89 -1.87 -3.41 -1.46 5.02 -1.26 -4.15 118.16 109.14 3h0g n LYS 25 Ca 0.00 1.41 -0.28 0.00 -2.02 0.00 0.00 58.31 57.42 3h0g n LYS 25 Cb 0.00 -3.17 -0.03 0.00 -0.02 0.00 0.00 35.03 31.81 3h0g n LYS 25 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 3h0g s SER 26 N -2.20 6.41 -0.01 4.39 0.01 -1.26 -5.13 113.70 115.91 3h0g s SER 26 Ca 0.23 0.61 -0.29 0.00 1.31 0.00 0.00 55.95 57.82 3h0g s SER 26 Cb -0.03 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3h0g s SER 26 CO 0.85 -0.18 0.93 -2.84 0.41 0.00 0.00 173.24 172.40 3h0g s PRO 27 N -3.62 4.54 -1.13 12.44 0.02 -1.26 -3.74 135.00 142.25 3h0g s PRO 27 Ca 0.42 1.32 -0.05 0.00 0.02 0.00 0.00 61.00 62.72 3h0g s PRO 27 Cb -0.11 -3.45 -0.03 0.00 0.02 0.00 0.00 34.50 30.93 3h0g s PRO 27 CO 0.31 -0.02 0.91 0.09 -0.33 0.00 0.00 177.00 177.96 3h0g n ASN 28 N 3.82 -4.46 -3.63 2.53 4.13 -1.26 -4.73 115.26 111.66 3h0g n ASN 28 Ca 0.04 -0.72 -0.04 0.00 1.68 0.00 0.00 54.58 55.54 3h0g n ASN 28 Cb 0.51 -4.91 -0.06 0.00 -1.54 0.00 0.00 39.78 33.78 3h0g n ASN 28 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h0g s ALA 29 N -3.42 -2.08 0.36 5.41 0.00 -1.25 -1.14 121.76 119.65 3h0g s ALA 29 Ca 0.26 2.33 0.05 0.00 0.00 0.00 0.00 51.96 54.60 3h0g s ALA 29 Cb -0.04 -1.60 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 3h0g s ALA 29 CO 0.75 -0.46 0.03 0.00 0.00 0.00 0.00 175.76 176.08 3h0g s ALA 30 N 1.73 2.70 -0.13 0.00 0.00 -0.65 -2.45 121.76 122.96 3h0g s ALA 30 Ca -0.09 -2.16 -0.01 0.00 0.00 0.00 0.00 51.96 49.70 3h0g s ALA 30 Cb -0.05 0.43 0.03 0.00 0.00 0.00 0.00 23.12 23.53 3h0g s ALA 30 CO -0.18 -0.22 -0.03 0.08 0.00 0.00 0.00 175.76 175.41 3h0g s VAL 31 N -3.03 0.81 -0.13 0.00 1.01 -0.40 -0.89 120.40 117.78 3h0g s VAL 31 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 3h0g s VAL 31 Cb 0.09 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 3h0g s VAL 31 CO 0.16 0.20 0.07 -0.69 0.00 0.00 0.00 175.10 174.84 3h0g s VAL 32 N 1.78 4.85 -0.60 2.92 1.01 0.29 -3.02 120.40 127.64 3h0g s VAL 32 Ca 0.03 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3h0g s VAL 32 Cb -0.14 -3.11 0.16 0.00 0.00 0.00 0.00 36.38 33.29 3h0g s VAL 32 CO -0.07 0.57 0.41 -0.89 0.00 0.00 0.00 175.10 175.11 3h0g s THR 33 N -0.54 2.20 0.29 3.92 2.01 -0.78 -0.36 115.64 122.38 3h0g s THR 33 Ca 0.11 -3.66 -0.29 0.00 0.31 0.00 0.00 61.69 58.16 3h0g s THR 33 Cb -0.12 -2.47 -0.10 0.00 0.01 0.00 0.00 72.50 69.83 3h0g s THR 33 CO 0.02 -1.01 1.23 -0.76 -0.69 0.00 0.00 174.62 173.40 3h0g s LEU 34 N -0.82 4.47 0.32 4.42 1.43 -1.12 -3.29 118.68 124.09 3h0g s LEU 34 Ca 0.25 2.49 0.10 0.00 -1.03 0.00 0.00 54.13 55.93 3h0g s LEU 34 Cb -0.08 -3.64 -0.06 0.00 0.03 0.00 0.00 46.19 42.45 3h0g s LEU 34 CO -0.13 -0.38 -0.10 -1.61 0.23 0.00 0.00 176.35 174.35 3h0g s GLU 35 N -1.42 1.84 0.00 1.70 2.02 0.28 -2.50 118.70 120.62 3h0g s GLU 35 Ca 0.48 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.62 3h0g s GLU 35 Cb -0.36 -1.77 0.00 0.00 0.10 0.00 0.00 34.13 32.10 3h0g s GLU 35 CO 0.46 0.20 0.00 1.63 0.02 0.00 0.00 175.26 177.57 3h0g n LYS 36 N -0.78 -2.51 -3.34 1.61 4.76 0.13 -4.82 118.16 113.20 3h0g n LYS 36 Ca -0.05 0.00 0.01 0.00 -2.87 0.00 0.00 58.31 55.40 3h0g n LYS 36 Cb 0.62 -4.27 -0.03 0.00 -1.84 0.00 0.00 35.03 29.51 3h0g n LYS 36 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3h0g s GLU 37 N -4.22 0.55 0.32 1.97 2.12 -1.23 -4.84 118.70 113.36 3h0g s GLU 37 Ca 0.00 1.12 -0.11 0.00 0.36 0.00 0.00 54.97 56.33 3h0g s GLU 37 Cb 0.00 0.57 0.05 0.00 0.26 0.00 0.00 34.13 35.01 3h0g s GLU 37 CO 0.00 -0.47 0.63 -0.40 -0.54 0.00 0.00 175.26 174.48 3h0g n ASP 38 N 5.43 -1.84 -2.46 -1.70 3.85 -1.26 -4.77 116.55 113.79 3h0g n ASP 38 Ca -0.05 -2.34 -0.19 0.00 -0.71 0.00 0.00 54.79 51.49 3h0g n ASP 38 Cb 0.50 3.08 -0.01 0.00 -1.35 0.00 0.00 41.12 43.35 3h0g n ASP 38 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h0g n HIS 39 N -0.45 -1.16 0.05 2.11 1.44 -1.26 -4.43 115.22 111.52 3h0g n HIS 39 Ca -0.07 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 3h0g n HIS 39 Cb 0.49 -3.75 0.00 0.00 0.12 0.00 0.00 29.99 26.86 3h0g n HIS 39 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3h0g n THR 40 N -3.91 0.00 -0.27 0.61 -1.04 -1.26 -4.88 114.28 103.53 3h0g n THR 40 Ca -0.22 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 61.86 3h0g n THR 40 Cb 0.67 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.47 3h0g n THR 40 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3h0g h LEU 41 N 0.00 0.79 0.08 -4.42 3.38 -1.92 -3.07 115.31 110.14 3h0g h LEU 41 Ca 0.00 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h0g h LEU 41 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3h0g h LEU 41 CO 0.00 0.49 -0.04 0.00 0.09 0.00 0.00 178.44 178.98 3h0g h ALA 42 N 1.55 -0.10 -0.12 1.53 0.00 -1.90 -3.11 119.26 117.11 3h0g h ALA 42 Ca 0.38 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3h0g h ALA 42 Cb 0.33 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3h0g h ALA 42 CO -0.15 -0.39 0.09 -0.97 0.00 0.00 0.00 179.25 177.83 3h0g h ASN 43 N -0.43 0.03 0.47 0.00 -1.24 -1.88 -2.76 115.58 109.76 3h0g h ASN 43 Ca -0.01 -0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.98 3h0g h ASN 43 Cb 0.37 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3h0g h ASN 43 CO 0.02 0.02 -0.22 0.24 -1.29 0.00 0.00 177.43 176.19 3h0g h MET 44 N 0.03 -0.60 -2.43 6.67 2.86 -1.54 -3.15 114.93 116.77 3h0g h MET 44 Ca 0.06 0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3h0g h MET 44 Cb 0.19 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3h0g h MET 44 CO -0.00 -0.30 0.13 1.28 1.06 0.00 0.00 176.91 179.08 3h0g n LEU 45 N -5.25 1.79 0.00 1.22 4.77 -1.04 -2.19 117.00 116.30 3h0g n LEU 45 Ca -0.11 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 3h0g n LEU 45 Cb 0.30 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 3h0g n LEU 45 CO 0.31 0.28 0.00 0.00 -1.33 0.00 0.00 177.39 176.65 3h0g n ALA 46 N 2.48 0.93 0.00 -1.18 0.00 -1.21 -4.07 120.51 117.45 3h0g n ALA 46 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3h0g n ALA 46 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 3h0g n ALA 46 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3h0g n ASN 47 N -0.92 0.00 0.00 0.00 4.13 -1.19 0.23 115.26 117.51 3h0g n ASN 47 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3h0g n ASN 47 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 3h0g n ASN 47 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 3h0g n GLN 48 N -0.82 0.55 -0.06 3.52 0.00 -0.93 -4.80 117.38 114.84 3h0g n GLN 48 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 56.99 3h0g n GLN 48 Cb 0.00 -0.79 0.27 0.00 0.00 0.00 0.00 30.24 29.72 3h0g n GLN 48 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 3h0g h LEU 49 N 0.00 0.62 0.00 1.69 6.46 -0.85 -1.39 115.31 121.85 3h0g h LEU 49 Ca 0.00 -0.10 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3h0g h LEU 49 Cb 0.57 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.34 3h0g h LEU 49 CO 0.00 0.62 0.00 -0.11 -0.62 0.00 0.00 178.44 178.33 3h0g n LEU 50 N -4.31 0.00 0.09 2.25 0.00 0.14 -2.71 117.00 112.47 3h0g n LEU 50 Ca 0.03 0.14 0.13 0.00 0.00 0.00 0.00 56.01 56.31 3h0g n LEU 50 Cb 0.20 -0.14 0.37 0.00 0.00 0.00 0.00 43.42 43.85 3h0g n LEU 50 CO 0.39 -0.07 0.78 -0.24 0.00 0.00 0.00 177.39 178.25 3h0g n SER 51 N -1.14 0.77 -4.62 1.96 2.88 -0.52 -4.72 113.62 108.23 3h0g n SER 51 Ca 0.10 0.48 -0.42 0.00 -1.33 0.00 0.00 58.87 57.70 3h0g n SER 51 Cb 0.09 -0.60 -0.05 0.00 -0.75 0.00 0.00 64.21 62.90 3h0g n SER 51 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 3h0g s ASP 52 N -4.41 6.68 0.66 -3.46 -0.00 -1.10 -4.92 116.67 110.12 3h0g s ASP 52 Ca 0.10 0.74 0.32 0.00 -0.00 0.00 0.00 52.55 53.72 3h0g s ASP 52 Cb 0.13 -2.40 1.77 0.00 -0.00 0.00 0.00 42.92 42.41 3h0g s ASP 52 CO 0.62 -0.55 1.99 -0.33 -0.00 0.00 0.00 175.17 176.90 3h0g h GLU 53 N 7.99 0.00 0.00 8.23 5.08 -1.91 0.14 114.58 134.11 3h0g h GLU 53 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3h0g h GLU 53 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3h0g h GLU 53 CO 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 3h0g h ARG 54 N 0.00 0.00 -6.49 2.33 3.08 -1.95 -3.45 114.38 107.90 3h0g h ARG 54 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3h0g h ARG 54 Cb 0.54 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.58 3h0g h ARG 54 CO 0.00 0.00 -0.13 0.08 -1.07 0.00 0.00 179.97 178.85 3h0g s VAL 55 N -3.56 5.01 0.00 2.04 1.01 0.03 -4.79 120.40 120.15 3h0g s VAL 55 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3h0g s VAL 55 Cb 0.09 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3h0g s VAL 55 CO 0.41 -0.31 0.15 0.18 0.00 0.00 0.00 175.10 175.53 3h0g n LEU 56 N -0.89 0.10 -3.58 3.92 4.77 -0.94 -5.03 117.00 115.35 3h0g n LEU 56 Ca -0.01 -0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 55.77 3h0g n LEU 56 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3h0g n LEU 56 CO 0.48 0.03 0.80 0.12 -1.33 0.00 0.00 177.39 177.49 3h0g s PHE 57 N -0.02 -0.34 -0.41 -1.77 5.36 -1.21 -4.80 117.98 114.79 3h0g s PHE 57 Ca 0.00 0.54 0.04 0.00 -0.96 0.00 0.00 56.93 56.55 3h0g s PHE 57 Cb 0.00 0.46 0.17 0.00 -0.34 0.00 0.00 43.02 43.31 3h0g s PHE 57 CO 0.00 -0.33 0.43 0.00 -1.46 0.00 0.00 175.22 173.86 3h0g s ALA 58 N -1.31 -0.14 0.00 11.12 0.00 -1.24 -3.63 121.76 126.56 3h0g s ALA 58 Ca -0.00 -1.37 0.00 0.00 0.00 0.00 0.00 51.96 50.59 3h0g s ALA 58 Cb -0.01 -2.03 0.00 0.00 0.00 0.00 0.00 23.12 21.09 3h0g s ALA 58 CO -0.00 -2.11 0.00 0.41 0.00 0.00 0.00 175.76 174.06 3h0g n GLY 59 N 3.54 -1.71 1.11 0.00 0.00 0.25 -4.85 105.19 103.53 3h0g n GLY 59 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3h0g n GLY 59 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3h0g n TYR 60 N 0.00 0.00 -3.56 1.61 9.36 -1.16 -4.78 117.16 118.63 3h0g n TYR 60 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 3h0g n TYR 60 Cb 0.00 -1.11 -0.06 0.00 -0.63 0.00 0.00 39.34 37.54 3h0g n TYR 60 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3h0g s LYS 61 N -0.72 0.12 0.05 2.98 2.47 -1.04 -4.99 119.74 118.61 3h0g s LYS 61 Ca 0.00 0.22 -0.31 0.00 -1.56 0.00 0.00 55.97 54.33 3h0g s LYS 61 Cb 0.00 0.05 -0.07 0.00 -1.46 0.00 0.00 37.83 36.35 3h0g s LYS 61 CO 0.00 -0.03 1.53 0.08 0.16 0.00 0.00 175.35 177.10 3h0g s VAL 62 N 1.33 3.29 0.06 4.02 1.01 -1.26 -3.48 120.40 125.38 3h0g s VAL 62 Ca -0.07 0.75 0.14 0.00 0.00 0.00 0.00 61.98 62.80 3h0g s VAL 62 Cb -0.02 -3.48 0.01 0.00 0.00 0.00 0.00 36.38 32.88 3h0g s VAL 62 CO -0.12 0.00 1.52 -0.65 0.00 0.00 0.00 175.10 175.85 3h0g h PRO 63 N 7.95 0.00 -1.47 2.72 0.11 -1.89 -3.45 132.00 135.98 3h0g h PRO 63 Ca -0.41 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.83 3h0g h PRO 63 Cb 1.19 0.00 -0.27 0.00 0.11 0.00 0.00 31.00 32.03 3h0g h PRO 63 CO 0.91 0.60 0.39 -1.58 -0.21 0.00 0.00 178.00 178.11 3h0g s HIS 64 N -3.18 -0.55 -2.00 0.65 5.65 -1.26 -5.02 115.29 109.57 3h0g s HIS 64 Ca 0.01 1.09 0.07 0.00 0.25 0.00 0.00 55.06 56.49 3h0g s HIS 64 Cb 0.10 0.33 0.43 0.00 -1.18 0.00 0.00 32.58 32.26 3h0g s HIS 64 CO 0.75 -0.27 0.93 -2.30 -0.65 0.00 0.00 174.74 173.19 3h0g n PRO 65 N 3.78 0.56 -0.09 2.88 -0.02 -1.26 -1.81 135.00 139.04 3h0g n PRO 65 Ca -0.18 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.07 3h0g n PRO 65 Cb 0.57 -1.20 -0.12 0.00 -0.02 0.00 0.00 33.50 32.73 3h0g n PRO 65 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3h0g n LEU 66 N -0.70 2.10 -4.68 2.45 4.77 -1.26 -4.85 117.00 114.83 3h0g n LEU 66 Ca 0.05 0.33 -0.42 0.00 -0.03 0.00 0.00 56.01 55.94 3h0g n LEU 66 Cb 0.02 -0.97 -0.03 0.00 -2.33 0.00 0.00 43.42 40.12 3h0g n LEU 66 CO 0.04 0.49 1.05 0.20 -1.33 0.00 0.00 177.39 177.85 3h0g s ASN 67 N -7.00 6.94 -1.38 -1.43 0.01 -0.75 -4.94 114.94 106.39 3h0g s ASN 67 Ca -0.30 1.95 -0.10 0.00 -0.71 0.00 0.00 52.86 53.70 3h0g s ASN 67 Cb 0.08 -2.56 0.09 0.00 0.41 0.00 0.00 41.25 39.28 3h0g s ASN 67 CO 0.61 -0.67 2.20 1.57 -1.51 0.00 0.00 177.10 179.29 3h0g n HIS 68 N 5.47 2.96 -2.44 2.20 -0.00 -1.26 -4.64 115.22 117.51 3h0g n HIS 68 Ca 0.12 -2.88 0.00 0.00 0.46 0.00 0.00 57.72 55.42 3h0g n HIS 68 Cb 0.45 -2.16 0.00 0.00 -0.12 0.00 0.00 29.99 28.16 3h0g n HIS 68 CO 0.00 0.00 0.00 0.27 0.46 0.00 0.00 176.34 177.07 3h0g n ASN 69 N 4.04 0.00 0.00 0.26 0.23 -1.26 0.18 115.26 118.70 3h0g n ASN 69 Ca 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.57 3h0g n ASN 69 Cb 0.33 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.03 3h0g n ASN 69 CO 0.00 0.00 0.00 2.22 -0.93 0.00 0.00 177.26 178.55 3h0g n PHE 70 N 0.00 0.00 -3.12 -2.53 1.16 -1.04 -4.59 117.46 107.34 3h0g n PHE 70 Ca 0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.40 3h0g n PHE 70 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3h0g n PHE 70 CO 0.00 0.00 0.00 0.96 -1.87 0.00 0.00 176.76 175.85 3h0g s ILE 71 N -1.67 2.98 -0.24 1.97 -4.36 -1.23 -2.78 121.20 115.87 3h0g s ILE 71 Ca 0.00 -1.06 -0.07 0.00 -0.26 0.00 0.00 60.65 59.26 3h0g s ILE 71 Cb 0.00 -3.01 0.11 0.00 1.25 0.00 0.00 42.46 40.81 3h0g s ILE 71 CO 0.00 -0.01 0.50 -0.22 0.24 0.00 0.00 174.94 175.45 3h0g s LEU 72 N -4.30 -0.84 -0.12 0.37 1.98 0.51 -2.50 118.68 113.78 3h0g s LEU 72 Ca 0.53 1.11 -0.02 0.00 -2.89 0.00 0.00 54.13 52.85 3h0g s LEU 72 Cb -0.09 1.68 -0.03 0.00 0.66 0.00 0.00 46.19 48.41 3h0g s LEU 72 CO 0.32 -0.24 -0.03 -0.60 -1.89 0.00 0.00 176.35 173.92 3h0g s ARG 73 N 2.71 3.30 -0.03 1.98 3.52 -1.26 0.10 118.95 129.28 3h0g s ARG 73 Ca -0.01 -0.48 0.03 0.00 -0.13 0.00 0.00 55.73 55.14 3h0g s ARG 73 Cb -0.12 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.43 3h0g s ARG 73 CO -0.15 0.47 -0.10 0.08 -0.81 0.00 0.00 175.30 174.78 3h0g s VAL 74 N -0.25 0.87 -0.09 7.11 1.01 -0.06 0.84 120.40 129.83 3h0g s VAL 74 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3h0g s VAL 74 Cb -0.13 -0.77 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 3h0g s VAL 74 CO 0.02 0.27 -0.20 -1.58 0.00 0.00 0.00 175.10 173.61 3h0g s GLN 75 N 0.19 2.89 0.00 2.72 0.74 -1.24 -1.64 119.66 123.32 3h0g s GLN 75 Ca -0.03 -0.82 0.00 0.00 0.05 0.00 0.00 55.36 54.56 3h0g s GLN 75 Cb -0.09 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.67 3h0g s GLN 75 CO 0.01 0.32 0.00 -2.37 -0.55 0.00 0.00 175.29 172.69 3h0g n THR 76 N 3.16 0.00 -1.76 -0.34 5.66 -0.29 -2.22 114.28 118.49 3h0g n THR 76 Ca -0.18 0.00 -0.01 0.00 -3.05 0.00 0.00 64.05 60.81 3h0g n THR 76 Cb 0.52 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.30 3h0g n THR 76 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3h0g n VAL 77 N 0.00 -4.86 -3.47 1.08 0.31 -1.25 -3.52 118.33 106.62 3h0g n VAL 77 Ca 0.00 0.55 -0.29 0.00 -0.01 0.00 0.00 64.34 64.59 3h0g n VAL 77 Cb 0.00 -4.42 -0.12 0.00 -0.91 0.00 0.00 33.84 28.39 3h0g n VAL 77 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3h0g s GLU 78 N -0.68 0.71 0.00 5.55 -6.30 -1.26 -4.82 118.70 111.90 3h0g s GLU 78 Ca -0.04 -1.57 0.00 0.00 -2.50 0.00 0.00 54.97 50.86 3h0g s GLU 78 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 34.13 32.70 3h0g s GLU 78 CO 0.18 -1.24 0.00 -0.40 0.02 0.00 0.00 175.26 173.82 3h0g n ASP 79 N 3.73 0.00 -3.65 -1.70 5.75 -1.26 -5.12 116.55 114.30 3h0g n ASP 79 Ca 0.15 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.92 3h0g n ASP 79 Cb 0.39 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 3h0g n ASP 79 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h0g n SER 81 N 0.84 -0.05 -0.98 0.00 2.88 -1.23 -4.59 113.62 110.49 3h0g n SER 81 Ca -0.03 0.25 0.08 0.00 -1.33 0.00 0.00 58.87 57.84 3h0g n SER 81 Cb 0.58 0.19 0.26 0.00 -0.75 0.00 0.00 64.21 64.49 3h0g n SER 81 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3h0g n PRO 82 N -3.03 3.15 0.09 -1.46 -0.05 -1.26 -4.88 135.00 127.56 3h0g n PRO 82 Ca 0.00 -2.74 0.10 0.00 -0.05 0.00 0.00 63.50 60.81 3h0g n PRO 82 Cb 0.02 -1.79 0.43 0.00 -0.05 0.00 0.00 33.50 32.11 3h0g n PRO 82 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 175.50 175.81 3h0g n LYS 83 N -0.14 0.13 -0.00 0.54 2.85 -1.26 -2.22 118.16 118.06 3h0g n LYS 83 Ca 0.20 0.38 0.03 0.00 -1.05 0.00 0.00 58.31 57.87 3h0g n LYS 83 Cb 0.84 -1.75 -0.12 0.00 -0.65 0.00 0.00 35.03 33.35 3h0g n LYS 83 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 3h0g n GLN 84 N -1.99 0.65 -0.09 -1.58 6.02 -1.26 -3.91 117.38 115.21 3h0g n GLN 84 Ca 0.02 0.02 -0.14 0.00 -0.01 0.00 0.00 57.00 56.90 3h0g n GLN 84 Cb 0.20 -1.66 -0.04 0.00 1.02 0.00 0.00 30.24 29.76 3h0g n GLN 84 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3h0g h VAL 85 N 0.00 1.29 -0.01 5.09 2.07 -1.77 -0.82 116.25 122.10 3h0g h VAL 85 Ca -0.18 -1.60 -0.19 0.00 0.82 0.00 0.00 66.70 65.55 3h0g h VAL 85 Cb 1.48 1.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 3h0g h VAL 85 CO 0.02 0.52 -0.84 0.16 0.02 0.00 0.00 177.57 177.45 3h0g h ILE 86 N 0.59 1.48 -0.06 4.57 3.07 -1.76 -2.33 117.51 123.07 3h0g h ILE 86 Ca 0.03 -2.54 -0.06 0.00 1.55 0.00 0.00 64.86 63.84 3h0g h ILE 86 Cb 1.01 2.41 0.00 0.00 -0.27 0.00 0.00 36.82 39.97 3h0g h ILE 86 CO 0.10 0.74 -0.21 0.58 -1.05 0.00 0.00 178.15 178.31 3h0g h VAL 87 N 0.12 1.44 -0.72 0.16 2.07 -1.66 0.41 116.25 118.05 3h0g h VAL 87 Ca -0.04 -1.60 0.21 0.00 0.82 0.00 0.00 66.70 66.09 3h0g h VAL 87 Cb 1.45 2.32 -0.03 0.00 -1.52 0.00 0.00 31.29 33.51 3h0g h VAL 87 CO 0.13 0.45 0.53 0.44 0.02 0.00 0.00 177.57 179.14 3h0g h ASP 88 N -0.26 0.00 0.25 0.57 5.19 -1.21 0.24 116.42 121.20 3h0g h ASP 88 Ca -0.01 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.39 3h0g h ASP 88 Cb 0.84 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.35 3h0g h ASP 88 CO 0.04 0.00 -0.12 0.00 -3.12 0.00 0.00 179.24 176.04 3h0g h ALA 89 N 1.62 -0.33 -0.80 3.45 0.00 -0.86 -2.56 119.26 119.78 3h0g h ALA 89 Ca 0.34 -0.11 0.19 0.00 0.00 0.00 0.00 54.91 55.33 3h0g h ALA 89 Cb 1.40 0.13 -0.12 0.00 0.00 0.00 0.00 17.79 19.20 3h0g h ALA 89 CO -0.00 -0.32 0.22 0.00 0.00 0.00 0.00 179.25 179.14 3h0g h ALA 90 N -0.96 1.09 -0.39 0.00 0.00 0.48 0.11 119.26 119.60 3h0g h ALA 90 Ca -0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3h0g h ALA 90 Cb 0.33 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 3h0g h ALA 90 CO 0.06 -0.36 0.21 0.87 0.00 0.00 0.00 179.25 180.02 3h0g h LYS 91 N 0.27 0.54 0.00 0.00 1.57 -0.65 -0.84 116.57 117.47 3h0g h LYS 91 Ca 0.47 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 3h0g h LYS 91 Cb 0.85 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.05 3h0g h LYS 91 CO -0.55 0.44 0.00 1.03 -0.57 0.00 0.00 179.45 179.80 3h0g h SER 92 N 0.49 0.00 0.00 0.86 0.87 -0.39 -2.81 113.55 112.56 3h0g h SER 92 Ca 0.14 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3h0g h SER 92 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3h0g h SER 92 CO -0.02 0.00 -0.23 -0.07 -0.53 0.00 0.00 176.83 175.98 3h0g h LEU 93 N 0.00 0.00 -0.99 2.23 3.38 0.07 -2.88 115.31 117.13 3h0g h LEU 93 Ca 0.00 0.00 0.34 0.00 0.09 0.00 0.00 57.88 58.31 3h0g h LEU 93 Cb 0.09 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.68 3h0g h LEU 93 CO 0.00 0.45 0.49 0.16 0.09 0.00 0.00 178.44 179.64 3h0g h ILE 94 N -0.68 0.20 -0.04 1.22 3.07 -1.30 0.66 117.51 120.63 3h0g h ILE 94 Ca 0.00 -0.07 -0.19 0.00 1.55 0.00 0.00 64.86 66.15 3h0g h ILE 94 Cb 0.23 -0.02 -0.01 0.00 -0.27 0.00 0.00 36.82 36.75 3h0g h ILE 94 CO 0.00 0.04 -0.79 0.00 -1.05 0.00 0.00 178.15 176.35 3h0g h THR 95 N 0.20 1.42 0.00 0.16 1.03 -1.66 -2.65 112.91 111.42 3h0g h THR 95 Ca 0.74 -2.32 -0.05 0.00 -0.01 0.00 0.00 66.41 64.77 3h0g h THR 95 Cb 1.76 2.26 -0.01 0.00 -1.07 0.00 0.00 68.15 71.09 3h0g h THR 95 CO -0.68 0.69 -0.26 -0.74 -0.01 0.00 0.00 175.52 174.52 3h0g h HIS 96 N 0.19 0.00 0.45 0.00 -0.00 0.29 -3.16 115.15 112.92 3h0g h HIS 96 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.31 3h0g h HIS 96 Cb 1.38 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 3h0g h HIS 96 CO 0.04 0.26 -0.22 -0.07 -0.00 0.00 0.00 177.93 177.94 3h0g h LEU 97 N 0.00 -0.52 -1.34 0.26 3.38 0.13 -3.18 115.31 114.04 3h0g h LEU 97 Ca -0.00 -0.09 0.28 0.00 0.09 0.00 0.00 57.88 58.16 3h0g h LEU 97 Cb 0.85 0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 3h0g h LEU 97 CO 0.03 -0.12 0.67 -0.33 0.09 0.00 0.00 178.44 178.79 3h0g h GLU 98 N -1.01 0.37 -1.57 1.13 5.08 -1.52 0.45 114.58 117.51 3h0g h GLU 98 Ca -0.06 -0.02 0.47 0.00 -1.00 0.00 0.00 59.36 58.75 3h0g h GLU 98 Cb 0.57 -0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.65 3h0g h GLU 98 CO 0.10 0.25 1.09 0.93 -1.00 0.00 0.00 179.01 180.38 3h0g h GLU 99 N 0.39 0.04 0.00 2.33 5.08 -1.53 0.19 114.58 121.08 3h0g h GLU 99 Ca 0.61 -0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.65 3h0g h GLU 99 Cb 1.56 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.74 3h0g h GLU 99 CO -0.32 0.03 -2.21 0.44 -1.00 0.00 0.00 179.01 175.95 3h0g n ILE 100 N -4.27 1.21 0.15 3.13 -5.35 0.15 -3.57 119.36 110.81 3h0g n ILE 100 Ca 0.38 -0.61 0.17 0.00 -0.27 0.00 0.00 62.75 62.41 3h0g n ILE 100 Cb 1.63 -0.88 0.76 0.00 -1.74 0.00 0.00 39.64 39.41 3h0g n ILE 100 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3h0g h LYS 101 N 0.00 0.00 0.03 6.28 3.64 0.10 0.76 116.57 127.38 3h0g h LYS 101 Ca -0.47 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 58.71 3h0g h LYS 101 Cb 1.92 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.72 3h0g h LYS 101 CO -0.02 0.00 -1.02 0.28 -2.27 0.00 0.00 179.45 176.42 3h0g h VAL 102 N 0.00 1.14 -0.81 2.00 2.07 -0.92 -2.99 116.25 116.74 3h0g h VAL 102 Ca 0.12 -2.27 0.14 0.00 0.82 0.00 0.00 66.70 65.51 3h0g h VAL 102 Cb 0.58 2.62 -0.06 0.00 -1.52 0.00 0.00 31.29 32.91 3h0g h VAL 102 CO -0.00 0.49 0.53 0.78 0.02 0.00 0.00 177.57 179.38 3h0g h ASN 103 N -0.81 0.53 0.47 0.57 -0.26 -1.52 0.99 115.58 115.55 3h0g h ASN 103 Ca -0.26 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.49 3h0g h ASN 103 Cb 1.36 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 3h0g h ASN 103 CO -0.09 0.28 -0.22 0.15 -1.06 0.00 0.00 177.43 176.49 3h0g h PHE 104 N 0.57 -0.58 0.00 1.19 3.57 -0.98 0.20 116.94 120.91 3h0g h PHE 104 Ca 0.40 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3h0g h PHE 104 Cb 0.72 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.65 3h0g h PHE 104 CO -0.00 -0.27 0.00 -1.33 -2.23 0.00 0.00 178.31 174.48 3h0g n MET 105 N -5.27 0.16 -0.13 1.11 2.81 -0.80 -1.22 117.12 113.78 3h0g n MET 105 Ca -0.11 0.17 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 3h0g n MET 105 Cb 0.30 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.20 3h0g n MET 105 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3h0g n ARG 106 N -1.26 0.62 0.04 0.03 0.63 0.28 -4.53 116.66 112.47 3h0g n ARG 106 Ca 0.05 0.23 0.12 0.00 -0.92 0.00 0.00 57.85 57.33 3h0g n ARG 106 Cb 0.07 -1.52 0.24 0.00 0.45 0.00 0.00 32.46 31.70 3h0g n ARG 106 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3h0g n GLU 107 N -3.83 0.18 0.00 -0.14 2.13 0.65 -3.87 120.64 115.76 3h0g n GLU 107 Ca -0.49 0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.38 3h0g n GLU 107 Cb 0.93 -1.62 0.00 0.00 0.27 0.00 0.00 31.44 31.02 3h0g n GLU 107 CO 0.00 0.00 0.00 1.87 -0.41 0.00 0.00 177.13 178.59 3h0g n TRP 108 N -1.88 0.00 0.26 4.31 -0.00 -0.36 -2.34 117.44 117.44 3h0g n TRP 108 Ca 0.04 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.68 3h0g n TRP 108 Cb 0.40 -0.27 0.73 0.00 -0.00 0.00 0.00 31.31 32.17 3h0g n TRP 108 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 3h0g h GLU 109 N 0.00 0.00 0.00 5.87 5.08 -1.81 0.10 114.58 123.82 3h0g h GLU 109 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 3h0g h GLU 109 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3h0g h GLU 109 CO 0.00 0.00 -0.82 1.25 -1.00 0.00 0.00 179.01 178.44 3h0g h LEU 110 N 0.00 0.03 -3.04 1.33 5.85 -1.64 -2.88 115.31 114.95 3h0g h LEU 110 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3h0g h LEU 110 Cb 0.40 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.42 3h0g h LEU 110 CO 0.00 0.83 0.00 0.29 -0.34 0.00 0.00 178.44 179.22 3h0g n LYS 111 N -3.58 3.20 0.09 1.25 4.76 0.28 -4.04 118.16 120.12 3h0g n LYS 111 Ca -0.01 -2.58 0.12 0.00 -2.87 0.00 0.00 58.31 52.96 3h0g n LYS 111 Cb 0.78 -1.65 0.05 0.00 -1.84 0.00 0.00 35.03 32.38 3h0g n LYS 111 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 3h0g h MET 112 N 2.97 0.00 0.16 1.97 2.86 -1.15 -3.38 114.93 118.36 3h0g h MET 112 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 3h0g h MET 112 Cb 1.17 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.84 3h0g h MET 112 CO 0.13 0.00 -1.31 0.82 1.06 0.00 0.00 176.91 177.61 3h0g h ILE 113 N 0.00 1.44 0.00 -1.22 2.04 -1.68 -3.32 117.51 114.77 3h0g h ILE 113 Ca 0.00 -2.97 0.00 0.00 1.00 0.00 0.00 64.86 62.89 3h0g h ILE 113 Cb 0.90 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.96 3h0g h ILE 113 CO 0.00 0.87 0.00 0.77 0.00 0.00 0.00 178.15 179.79 3h0g h SER 114 N 0.10 0.00 -1.66 1.72 4.64 -1.79 -3.04 113.55 113.53 3h0g h SER 114 Ca -0.17 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.48 3h0g h SER 114 Cb 2.03 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.89 3h0g h SER 114 CO 0.22 0.00 0.85 0.52 -0.87 0.00 0.00 176.83 177.56 3h0g n VAL 115 N -2.52 3.62 -2.76 0.95 0.31 -1.25 -5.02 118.33 111.66 3h0g n VAL 115 Ca 0.01 -3.89 0.10 0.00 -0.01 0.00 0.00 64.34 60.55 3h0g n VAL 115 Cb 0.20 -1.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.71 3h0g n VAL 115 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3h0g n GLU 116 N 0.03 -1.53 0.00 5.55 1.02 -1.15 -5.06 120.64 119.50 3h0g n GLU 116 Ca 0.52 1.01 0.00 0.00 -0.02 0.00 0.00 57.16 58.67 3h0g n GLU 116 Cb 0.35 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 3h0g n GLU 116 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3h0g n GLY 117 N -2.25 3.50 0.00 0.62 0.00 -1.26 -4.62 105.19 101.18 3h0g n GLY 117 Ca 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.79 3h0g n GLY 117 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3h0g n VAL 118 N 0.00 0.00 -0.69 1.61 3.14 -1.26 -5.21 118.33 115.92 3h0g n VAL 118 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3h0g n VAL 118 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3h0g n VAL 118 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75