#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iss s ASP 2 N 0.00 3.99 0.05 7.83 1.11 -1.26 -3.98 116.67 124.41 3iss s ASP 2 Ca 0.00 2.38 -0.02 0.00 0.18 0.00 0.00 52.55 55.08 3iss s ASP 2 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 3iss s ASP 2 CO 0.00 -2.40 0.02 -0.54 1.18 0.00 0.00 175.17 173.43 3iss s LYS 3 N -3.97 0.57 -0.19 8.23 1.02 -0.63 -3.05 119.74 121.73 3iss s LYS 3 Ca 0.74 -0.99 -0.06 0.00 0.02 0.00 0.00 55.97 55.68 3iss s LYS 3 Cb -0.30 0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 37.19 3iss s LYS 3 CO 0.47 -0.12 0.04 -0.06 -0.92 0.00 0.00 175.35 174.76 3iss s PHE 4 N -3.20 3.16 -0.22 3.18 0.08 -0.67 -1.50 117.98 118.81 3iss s PHE 4 Ca 0.00 -0.10 -0.09 0.00 0.12 0.00 0.00 56.93 56.86 3iss s PHE 4 Cb 0.03 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.36 3iss s PHE 4 CO -0.07 0.03 0.12 0.50 -0.10 0.00 0.00 175.22 175.69 3iss s ARG 5 N 0.55 4.02 -0.00 0.44 3.52 0.36 -0.52 118.95 127.32 3iss s ARG 5 Ca 0.01 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3iss s ARG 5 Cb -0.13 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.83 3iss s ARG 5 CO 0.02 0.12 -0.20 0.08 -0.81 0.00 0.00 175.30 174.51 3iss s VAL 6 N 0.84 1.59 -0.14 7.11 1.01 0.38 -0.87 120.40 130.32 3iss s VAL 6 Ca 0.06 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.14 3iss s VAL 6 Cb -0.13 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.93 3iss s VAL 6 CO 0.02 0.40 -0.19 -1.10 0.00 0.00 0.00 175.10 174.24 3iss s GLN 7 N -0.60 2.72 0.28 2.72 -1.52 -0.22 -0.97 119.66 122.07 3iss s GLN 7 Ca 0.08 -0.74 0.06 0.00 -1.95 0.00 0.00 55.36 52.81 3iss s GLN 7 Cb -0.08 -2.27 -0.02 0.00 -0.22 0.00 0.00 33.01 30.41 3iss s GLN 7 CO -0.00 -0.09 0.25 0.41 -0.25 0.00 0.00 175.29 175.61 3iss n GLY 8 N 4.28 3.02 3.83 3.09 0.00 -0.15 -4.14 105.19 115.13 3iss n GLY 8 Ca -0.19 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3iss n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iss s PRO 9 N -3.12 3.45 -0.13 1.61 0.04 -0.74 -1.07 135.00 135.04 3iss s PRO 9 Ca 0.33 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 62.24 3iss s PRO 9 Cb 0.01 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.53 3iss s PRO 9 CO 0.24 -0.69 0.35 -0.08 0.04 0.00 0.00 177.00 176.85 3iss s THR 10 N -2.81 -0.01 -0.35 1.26 -1.32 -0.49 -4.99 115.64 106.95 3iss s THR 10 Ca 0.59 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.95 3iss s THR 10 Cb -0.13 -0.49 -0.01 0.00 -1.51 0.00 0.00 72.50 70.36 3iss s THR 10 CO 0.44 0.01 0.36 -0.75 -2.21 0.00 0.00 174.62 172.47 3iss s LYS 11 N 0.48 3.54 -0.26 7.08 2.20 -1.26 -4.57 119.74 126.95 3iss s LYS 11 Ca -0.02 -0.45 -0.27 0.00 -0.36 0.00 0.00 55.97 54.87 3iss s LYS 11 Cb -0.04 -3.81 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 3iss s LYS 11 CO -0.03 -0.53 0.95 -0.51 -0.36 0.00 0.00 175.35 174.87 3iss s LEU 12 N 2.00 4.07 0.09 5.43 1.43 -1.26 -4.72 118.68 125.72 3iss s LEU 12 Ca 0.11 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.17 3iss s LEU 12 Cb -0.17 -3.37 0.04 0.00 0.03 0.00 0.00 46.19 42.72 3iss s LEU 12 CO 0.12 -0.64 0.43 0.00 0.23 0.00 0.00 176.35 176.49 3iss s GLN 13 N 3.12 1.04 0.00 1.70 -2.07 -0.26 -3.60 119.66 119.58 3iss s GLN 13 Ca 0.40 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 3iss s GLN 13 Cb -0.15 0.46 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3iss s GLN 13 CO 0.08 -0.39 0.00 0.41 -1.32 0.00 0.00 175.29 174.07 3iss n GLY 14 N 0.05 0.20 3.17 2.60 0.00 -0.97 -4.43 105.19 105.81 3iss n GLY 14 Ca -0.17 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 3iss n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iss s GLU 15 N -0.75 0.98 -0.04 1.61 -1.05 -1.26 -1.75 118.70 116.44 3iss s GLU 15 Ca 0.00 -1.47 -0.07 0.00 -0.15 0.00 0.00 54.97 53.27 3iss s GLU 15 Cb 0.00 0.18 0.01 0.00 -0.44 0.00 0.00 34.13 33.88 3iss s GLU 15 CO 0.00 -0.26 0.18 0.54 0.95 0.00 0.00 175.26 176.67 3iss s VAL 16 N -4.01 0.04 -0.19 1.83 0.11 -0.54 -4.83 120.40 112.82 3iss s VAL 16 Ca 0.26 -0.32 -0.12 0.00 -2.93 0.00 0.00 61.98 58.87 3iss s VAL 16 Cb 0.07 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.51 3iss s VAL 16 CO 0.03 -0.17 0.22 -0.89 -3.33 0.00 0.00 175.10 170.96 3iss s THR 17 N -0.60 5.34 0.06 5.04 2.01 -1.26 -0.33 115.64 125.89 3iss s THR 17 Ca -0.07 0.38 -0.30 0.00 0.31 0.00 0.00 61.69 62.01 3iss s THR 17 Cb -0.04 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 3iss s THR 17 CO 0.01 0.39 0.99 -0.63 -0.69 0.00 0.00 174.62 174.70 3iss s ILE 18 N 0.57 4.60 0.81 1.82 -1.09 0.53 -4.92 121.20 123.52 3iss s ILE 18 Ca 0.12 2.00 -0.12 0.00 -2.23 0.00 0.00 60.65 60.42 3iss s ILE 18 Cb -0.12 -4.28 0.08 0.00 -1.58 0.00 0.00 42.46 36.56 3iss s ILE 18 CO 0.02 0.23 1.18 -0.44 -1.23 0.00 0.00 174.94 174.70 3iss s SER 19 N 0.53 4.52 0.59 3.58 0.01 -1.26 -4.84 113.70 116.83 3iss s SER 19 Ca 0.50 0.78 -0.19 0.00 1.31 0.00 0.00 55.95 58.35 3iss s SER 19 Cb -0.23 -1.28 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 3iss s SER 19 CO 0.29 -1.90 1.24 -0.83 0.41 0.00 0.00 173.24 172.45 3iss s GLY 20 N -4.57 2.78 -0.08 3.44 0.00 -1.23 -1.80 107.32 105.85 3iss s GLY 20 Ca 0.62 1.08 -0.29 0.00 0.00 0.00 0.00 44.72 46.12 3iss s GLY 20 CO 0.49 1.49 1.85 0.00 0.00 0.00 0.00 173.10 176.93 3iss s ALA 21 N -1.52 3.39 0.28 3.20 0.00 0.76 -4.32 121.76 123.54 3iss s ALA 21 Ca 0.78 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.70 3iss s ALA 21 Cb -0.33 -3.86 0.55 0.00 0.00 0.00 0.00 23.12 19.49 3iss s ALA 21 CO 0.36 -1.79 1.81 -0.22 0.00 0.00 0.00 175.76 175.91 3iss h LYS 22 N 11.03 0.85 -0.15 0.00 3.64 -1.91 -0.16 116.57 129.88 3iss h LYS 22 Ca -0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 3iss h LYS 22 Cb 1.20 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 3iss h LYS 22 CO 0.96 0.56 0.00 0.09 -2.27 0.00 0.00 179.45 178.79 3iss n ASN 23 N -4.70 1.28 -0.13 4.20 3.02 -1.26 -2.07 115.26 115.60 3iss n ASN 23 Ca 0.18 -1.69 -0.23 0.00 -0.03 0.00 0.00 54.58 52.82 3iss n ASN 23 Cb 0.38 -0.09 -0.10 0.00 -0.61 0.00 0.00 39.78 39.35 3iss n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iss n ALA 24 N 0.08 1.38 -0.17 5.41 0.00 -0.73 -4.44 120.51 122.04 3iss n ALA 24 Ca 0.15 -1.06 -0.03 0.00 0.00 0.00 0.00 53.44 52.50 3iss n ALA 24 Cb 0.26 0.04 0.04 0.00 0.00 0.00 0.00 19.45 19.79 3iss n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ALA 25 N -0.46 0.30 0.26 0.00 0.00 -1.02 -2.22 119.26 116.12 3iss h ALA 25 Ca -0.61 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iss h ALA 25 Cb 1.73 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.96 3iss h ALA 25 CO -0.24 -0.47 -0.20 -0.07 0.00 0.00 0.00 179.25 178.27 3iss h LEU 26 N -0.03 -0.51 -1.12 0.00 4.07 -1.66 0.00 115.31 116.06 3iss h LEU 26 Ca 0.25 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 58.21 3iss h LEU 26 Cb 0.42 0.16 -0.02 0.00 1.08 0.00 0.00 40.66 42.30 3iss h LEU 26 CO -0.56 -0.30 0.10 -0.65 -1.08 0.00 0.00 178.44 175.94 3iss h PRO 27 N -0.46 0.72 -0.09 1.13 0.11 -1.75 -2.73 132.00 128.93 3iss h PRO 27 Ca -0.02 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 65.94 3iss h PRO 27 Cb 0.41 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 3iss h PRO 27 CO -0.01 0.67 0.01 0.82 -0.21 0.00 0.00 178.00 179.28 3iss h ILE 28 N 0.70 1.23 -0.99 4.15 2.04 -1.11 0.93 117.51 124.45 3iss h ILE 28 Ca 0.15 -0.70 0.20 0.00 1.00 0.00 0.00 64.86 65.51 3iss h ILE 28 Cb 0.29 1.52 -0.10 0.00 -0.74 0.00 0.00 36.82 37.79 3iss h ILE 28 CO 0.00 0.20 0.62 -0.07 0.00 0.00 0.00 178.15 178.90 3iss h LEU 29 N -0.09 0.67 -0.02 1.44 4.07 -0.85 -0.93 115.31 119.61 3iss h LEU 29 Ca 0.03 0.08 -0.20 0.00 0.08 0.00 0.00 57.88 57.87 3iss h LEU 29 Cb 0.30 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 41.98 3iss h LEU 29 CO 0.00 0.23 -0.96 -0.26 -1.08 0.00 0.00 178.44 176.38 3iss h PHE 30 N 0.65 0.00 0.00 1.13 0.04 -1.20 -3.10 116.94 114.46 3iss h PHE 30 Ca 0.56 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.30 3iss h PHE 30 Cb 1.02 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.16 3iss h PHE 30 CO -0.00 0.96 -0.16 0.00 -0.60 0.00 0.00 178.31 178.51 3iss h ALA 31 N 1.04 1.19 0.00 2.45 0.00 0.34 -2.77 119.26 121.51 3iss h ALA 31 Ca -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iss h ALA 31 Cb 1.73 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3iss h ALA 31 CO 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 3iss h ALA 32 N 1.84 1.36 0.00 0.00 0.00 -1.14 -0.94 119.26 120.40 3iss h ALA 32 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iss h ALA 32 Cb 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iss h ALA 32 CO 0.02 0.04 0.11 -0.07 0.00 0.00 0.00 179.25 179.35 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.65 0.10 115.31 117.15 3iss h LEU 33 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3iss h LEU 33 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3iss h LEU 33 CO 0.00 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.09 3iss h LEU 34 N 0.00 0.00 -9.71 1.67 3.38 -1.39 -3.47 115.31 105.79 3iss h LEU 34 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3iss h LEU 34 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3iss h LEU 34 CO 0.00 0.21 0.43 0.00 0.09 0.00 0.00 178.44 179.17 3iss s ALA 35 N -3.13 3.36 -1.71 1.53 0.00 0.36 -4.42 121.76 117.75 3iss s ALA 35 Ca 0.04 0.76 0.17 0.00 0.00 0.00 0.00 51.96 52.93 3iss s ALA 35 Cb 0.07 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.93 3iss s ALA 35 CO 0.72 -0.07 0.92 0.39 0.00 0.00 0.00 175.76 177.72 3iss n GLU 36 N 1.88 1.57 -4.32 0.00 1.02 -0.49 -4.34 120.64 115.97 3iss n GLU 36 Ca 0.00 -1.05 -0.17 0.00 -0.02 0.00 0.00 57.16 55.93 3iss n GLU 36 Cb 0.46 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.48 3iss n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3iss s GLU 37 N -1.75 1.35 0.38 3.49 2.02 -1.24 -4.71 118.70 118.24 3iss s GLU 37 Ca 0.16 -1.70 -0.24 0.00 0.02 0.00 0.00 54.97 53.20 3iss s GLU 37 Cb 0.14 -0.46 -0.09 0.00 0.10 0.00 0.00 34.13 33.82 3iss s GLU 37 CO 0.34 -0.18 1.01 -2.14 0.02 0.00 0.00 175.26 174.31 3iss s PRO 38 N -3.93 4.29 0.06 0.39 0.01 -1.26 -3.79 135.00 130.76 3iss s PRO 38 Ca 0.31 1.41 0.08 0.00 0.01 0.00 0.00 61.00 62.81 3iss s PRO 38 Cb 0.07 -2.56 -0.03 0.00 0.01 0.00 0.00 34.50 31.99 3iss s PRO 38 CO 0.10 -0.01 -0.21 0.54 0.01 0.00 0.00 177.00 177.43 3iss s VAL 39 N -1.72 1.69 -0.19 3.83 0.11 -0.59 -2.50 120.40 121.03 3iss s VAL 39 Ca 0.56 -1.28 0.01 0.00 -2.93 0.00 0.00 61.98 58.34 3iss s VAL 39 Cb -0.19 -1.49 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 3iss s VAL 39 CO 0.25 0.15 -0.17 -0.70 -3.33 0.00 0.00 175.10 171.30 3iss s GLU 40 N -1.34 2.97 -0.29 1.54 2.12 -0.14 -1.18 118.70 122.37 3iss s GLU 40 Ca 0.07 -0.86 -0.11 0.00 0.36 0.00 0.00 54.97 54.44 3iss s GLU 40 Cb -0.09 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 3iss s GLU 40 CO 0.02 -0.24 0.18 0.42 -0.54 0.00 0.00 175.26 175.10 3iss s ILE 41 N 1.30 5.13 0.34 -3.70 1.09 -0.37 -1.75 121.20 123.23 3iss s ILE 41 Ca 0.04 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 59.63 3iss s ILE 41 Cb -0.14 -3.48 -0.03 0.00 -1.06 0.00 0.00 42.46 37.75 3iss s ILE 41 CO -0.11 0.21 0.53 -1.10 -0.10 0.00 0.00 174.94 174.37 3iss s GLN 42 N 1.73 3.46 -1.31 2.79 -0.21 0.37 -0.41 119.66 126.08 3iss s GLN 42 Ca 0.07 -0.40 -0.07 0.00 0.02 0.00 0.00 55.36 54.98 3iss s GLN 42 Cb -0.16 -2.69 0.01 0.00 1.00 0.00 0.00 33.01 31.17 3iss s GLN 42 CO 0.10 0.17 1.13 -1.71 -2.12 0.00 0.00 175.29 172.85 3iss n ASN 43 N -1.75 -5.38 -4.72 5.90 5.15 -1.19 -2.18 115.26 111.09 3iss n ASN 43 Ca -0.05 -0.55 -0.38 0.00 -0.60 0.00 0.00 54.58 53.00 3iss n ASN 43 Cb 0.56 -5.00 -0.06 0.00 -0.53 0.00 0.00 39.78 34.76 3iss n ASN 43 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3iss s VAL 44 N -3.32 5.20 0.56 3.44 1.01 -1.12 -3.54 120.40 122.64 3iss s VAL 44 Ca 0.45 0.88 -0.19 0.00 0.00 0.00 0.00 61.98 63.12 3iss s VAL 44 Cb -0.20 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 3iss s VAL 44 CO 0.72 0.32 1.17 -2.16 0.00 0.00 0.00 175.10 175.15 3iss s PRO 45 N 0.70 3.19 -0.80 2.72 0.04 -1.26 -4.82 135.00 134.76 3iss s PRO 45 Ca 0.24 1.72 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 3iss s PRO 45 Cb -0.15 -1.98 0.10 0.00 0.04 0.00 0.00 34.50 32.51 3iss s PRO 45 CO 0.09 -1.01 1.04 0.15 0.04 0.00 0.00 177.00 177.31 3iss s LYS 46 N -3.28 3.37 0.08 4.56 1.02 -1.26 -4.85 119.74 119.37 3iss s LYS 46 Ca 0.75 -1.37 0.03 0.00 0.02 0.00 0.00 55.97 55.40 3iss s LYS 46 Cb -0.27 -4.61 -0.03 0.00 -0.52 0.00 0.00 37.83 32.39 3iss s LYS 46 CO 0.30 -1.78 -0.09 -0.51 -0.92 0.00 0.00 175.35 172.35 3iss s LEU 47 N 3.24 2.37 0.36 3.17 1.43 -1.26 -4.40 118.68 123.59 3iss s LEU 47 Ca 0.27 -0.76 0.06 0.00 -1.03 0.00 0.00 54.13 52.68 3iss s LEU 47 Cb -0.11 -0.25 0.68 0.00 0.03 0.00 0.00 46.19 46.54 3iss s LEU 47 CO -0.01 -0.26 1.89 0.50 0.23 0.00 0.00 176.35 178.70 3iss h LYS 48 N 3.77 0.41 -0.18 1.70 1.63 -1.63 -2.41 116.57 119.86 3iss h LYS 48 Ca -0.37 -0.09 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 3iss h LYS 48 Cb 1.19 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 3iss h LYS 48 CO 0.50 0.48 -0.06 -0.44 -3.45 0.00 0.00 179.45 176.49 3iss h ASP 49 N 0.39 0.24 -0.33 4.20 5.19 -1.83 0.85 116.42 125.13 3iss h ASP 49 Ca 0.08 -0.04 -0.13 0.00 -0.62 0.00 0.00 57.03 56.32 3iss h ASP 49 Cb 0.35 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 3iss h ASP 49 CO 0.01 0.34 -0.31 0.58 -3.12 0.00 0.00 179.24 176.75 3iss h VAL 50 N 0.26 1.29 -0.05 -1.35 2.07 -1.76 -2.35 116.25 114.36 3iss h VAL 50 Ca 0.06 -1.48 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3iss h VAL 50 Cb 0.27 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 3iss h VAL 50 CO 0.01 0.48 -0.06 0.44 0.02 0.00 0.00 177.57 178.47 3iss h ASP 51 N 0.58 -0.18 -0.92 0.57 3.32 -0.90 -0.52 116.42 118.37 3iss h ASP 51 Ca 0.06 0.04 0.06 0.00 0.02 0.00 0.00 57.03 57.20 3iss h ASP 51 Cb 0.89 0.09 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 3iss h ASP 51 CO 0.08 -0.08 0.60 0.74 -1.72 0.00 0.00 179.24 178.85 3iss h THR 52 N -0.08 1.09 -0.21 0.35 2.02 -0.91 0.40 112.91 115.57 3iss h THR 52 Ca 0.04 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 3iss h THR 52 Cb 0.14 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.46 3iss h THR 52 CO -0.10 0.20 0.10 0.28 0.37 0.00 0.00 175.52 176.36 3iss h SER 53 N 1.07 0.27 -0.54 4.18 0.02 -0.86 -1.92 113.55 115.78 3iss h SER 53 Ca 0.39 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3iss h SER 53 Cb 0.16 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 3iss h SER 53 CO -0.14 0.32 0.31 0.24 -1.14 0.00 0.00 176.83 176.42 3iss h MET 54 N 0.20 0.74 -0.87 3.45 2.07 -0.56 0.35 114.93 120.30 3iss h MET 54 Ca 0.07 -0.07 0.08 0.00 -2.07 0.00 0.00 59.70 57.71 3iss h MET 54 Cb 0.12 -0.15 -0.07 0.00 -1.87 0.00 0.00 31.60 29.63 3iss h MET 54 CO -0.01 0.55 0.53 -0.22 1.07 0.00 0.00 176.91 178.83 3iss h LYS 55 N 0.72 0.89 -0.11 1.72 1.63 -0.79 -0.40 116.57 120.23 3iss h LYS 55 Ca 0.19 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.89 3iss h LYS 55 Cb 0.01 -0.20 -0.00 0.00 -0.60 0.00 0.00 32.23 31.44 3iss h LYS 55 CO -0.03 0.59 -0.13 1.25 -3.45 0.00 0.00 179.45 177.68 3iss h LEU 56 N 0.92 0.31 -0.16 5.20 5.85 -0.58 -1.70 115.31 125.13 3iss h LEU 56 Ca 0.40 -0.50 0.05 0.00 0.84 0.00 0.00 57.88 58.68 3iss h LEU 56 Cb 0.29 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3iss h LEU 56 CO -0.21 0.74 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.30 3iss h LEU 57 N -0.12 -0.80 -0.32 2.25 4.07 -0.52 -1.13 115.31 118.73 3iss h LEU 57 Ca 0.02 0.13 0.06 0.00 0.08 0.00 0.00 57.88 58.17 3iss h LEU 57 Cb 0.66 0.36 -0.06 0.00 1.08 0.00 0.00 40.66 42.70 3iss h LEU 57 CO 0.03 -0.30 -0.05 -1.28 -1.08 0.00 0.00 178.44 175.76 3iss h SER 58 N -0.31 -0.24 -0.58 -0.43 0.87 -1.11 -0.65 113.55 111.10 3iss h SER 58 Ca 0.11 0.09 0.14 0.00 -1.23 0.00 0.00 61.79 60.90 3iss h SER 58 Cb 0.47 0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.58 3iss h SER 58 CO -0.34 -0.08 0.41 -0.61 -0.53 0.00 0.00 176.83 175.68 3iss h GLN 59 N 0.03 0.18 0.00 2.24 4.15 -0.71 0.11 115.11 121.11 3iss h GLN 59 Ca 0.16 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.57 3iss h GLN 59 Cb 0.23 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3iss h GLN 59 CO -0.31 0.12 0.00 1.28 -1.93 0.00 0.00 178.83 177.99 3iss n LEU 60 N -4.43 0.65 0.00 -2.39 4.77 -0.31 -4.82 117.00 110.48 3iss n LEU 60 Ca 0.11 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 3iss n LEU 60 Cb 0.52 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3iss n LEU 60 CO 0.35 -0.20 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 3iss n GLY 61 N 1.14 1.13 3.87 -0.72 0.00 0.37 -2.16 105.19 108.81 3iss n GLY 61 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3iss n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 62 N -2.00 3.14 -0.33 4.61 0.00 -0.87 -3.86 121.76 122.45 3iss s ALA 62 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 3iss s ALA 62 Cb 0.00 -3.01 -0.00 0.00 0.00 0.00 0.00 23.12 20.11 3iss s ALA 62 CO 0.00 -0.62 0.17 0.15 0.00 0.00 0.00 175.76 175.46 3iss s LYS 63 N -5.07 3.25 -0.06 0.00 3.01 0.50 -4.15 119.74 117.23 3iss s LYS 63 Ca 0.54 -0.78 0.01 0.00 -1.01 0.00 0.00 55.97 54.73 3iss s LYS 63 Cb -0.11 -3.62 0.02 0.00 -1.01 0.00 0.00 37.83 33.11 3iss s LYS 63 CO 0.52 -0.47 -0.08 0.08 0.51 0.00 0.00 175.35 175.90 3iss s VAL 64 N 1.61 0.88 0.23 3.17 1.01 -1.26 -0.95 120.40 125.10 3iss s VAL 64 Ca 0.04 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3iss s VAL 64 Cb -0.17 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 3iss s VAL 64 CO 0.07 0.31 0.29 -1.83 0.00 0.00 0.00 175.10 173.93 3iss s GLU 65 N 0.93 1.41 -0.01 2.72 -1.05 -1.05 -5.00 118.70 116.66 3iss s GLU 65 Ca -0.10 -1.52 -0.29 0.00 -0.15 0.00 0.00 54.97 52.91 3iss s GLU 65 Cb -0.15 0.36 0.10 0.00 -0.44 0.00 0.00 34.13 34.00 3iss s GLU 65 CO 0.01 -0.53 1.03 -0.98 0.95 0.00 0.00 175.26 175.75 3iss s ARG 66 N -3.99 0.74 0.00 -4.83 1.70 -1.26 -0.82 118.95 110.49 3iss s ARG 66 Ca 0.32 -0.34 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 3iss s ARG 66 Cb 0.03 0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 3iss s ARG 66 CO 0.12 -0.33 0.00 -0.40 -1.08 0.00 0.00 175.30 173.61 3iss n ASP 67 N -0.31 0.00 -0.04 -2.89 5.68 -1.26 -5.00 116.55 112.74 3iss n ASP 67 Ca -0.06 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.27 3iss n ASP 67 Cb 0.61 0.00 -0.16 0.00 -1.14 0.00 0.00 41.12 40.43 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iss n GLY 68 N 3.08 -0.93 3.41 6.12 0.00 -1.26 -5.16 105.19 110.45 3iss n GLY 68 Ca 0.00 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3iss n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iss s SER 69 N -4.65 3.20 0.01 1.61 0.01 -1.26 -2.77 113.70 109.84 3iss s SER 69 Ca -0.08 -0.97 0.01 0.00 1.31 0.00 0.00 55.95 56.22 3iss s SER 69 Cb 0.11 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 66.07 3iss s SER 69 CO 0.82 -0.00 0.02 -0.69 0.41 0.00 0.00 173.24 173.80 3iss s VAL 70 N -2.37 4.27 -0.15 3.43 1.01 0.45 -4.42 120.40 122.61 3iss s VAL 70 Ca 0.24 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.63 3iss s VAL 70 Cb -0.05 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3iss s VAL 70 CO 0.11 0.34 -0.18 -1.00 0.00 0.00 0.00 175.10 174.38 3iss s HIS 71 N -1.13 2.74 -0.08 5.22 3.76 -0.00 -1.24 115.29 124.55 3iss s HIS 71 Ca 0.21 -1.14 0.02 0.00 -0.15 0.00 0.00 55.06 53.99 3iss s HIS 71 Cb -0.12 -1.86 0.02 0.00 1.11 0.00 0.00 32.58 31.73 3iss s HIS 71 CO 0.12 -0.52 -0.12 0.42 -0.85 0.00 0.00 174.74 173.80 3iss s ILE 72 N 0.80 1.16 -0.32 0.60 1.01 -0.32 -2.53 121.20 121.60 3iss s ILE 72 Ca -0.06 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.15 3iss s ILE 72 Cb -0.15 -1.08 0.08 0.00 0.01 0.00 0.00 42.46 41.31 3iss s ILE 72 CO -0.00 0.37 0.02 -0.62 0.00 0.00 0.00 174.94 174.70 3iss s ASP 73 N 0.95 4.77 -0.20 3.58 -1.08 -0.12 -1.54 116.67 123.03 3iss s ASP 73 Ca -0.09 -1.77 0.15 0.00 -0.52 0.00 0.00 52.55 50.32 3iss s ASP 73 Cb -0.15 -1.65 0.66 0.00 -1.46 0.00 0.00 42.92 40.32 3iss s ASP 73 CO 0.00 -0.33 1.57 0.00 0.52 0.00 0.00 175.17 176.93 3iss n ALA 74 N 4.42 3.37 -0.13 3.66 0.00 -1.26 -0.37 120.51 130.20 3iss n ALA 74 Ca -0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 53.44 51.20 3iss n ALA 74 Cb 0.42 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.95 3iss n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ARG 75 N 2.87 0.69 -0.77 0.00 3.08 -1.84 -3.26 114.38 115.14 3iss h ARG 75 Ca 0.00 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.76 3iss h ARG 75 Cb 1.67 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.62 3iss h ARG 75 CO 0.34 0.79 0.09 -0.25 -1.07 0.00 0.00 179.97 179.87 3iss n ASP 76 N -4.45 4.07 -4.70 7.04 8.00 -1.26 -4.94 116.55 120.31 3iss n ASP 76 Ca -0.01 -2.72 -0.42 0.00 0.71 0.00 0.00 54.79 52.35 3iss n ASP 76 Cb 0.29 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3iss n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3iss n VAL 77 N 0.22 0.28 -0.92 2.53 0.31 -1.23 -4.72 118.33 114.79 3iss n VAL 77 Ca 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3iss n VAL 77 Cb 0.97 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3iss n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3iss n ASN 78 N 5.24 0.00 -4.31 4.52 6.94 -0.92 -5.00 115.26 121.73 3iss n ASN 78 Ca 0.17 -0.77 -0.29 0.00 -0.02 0.00 0.00 54.58 53.67 3iss n ASN 78 Cb 0.37 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.64 3iss n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iss s VAL 79 N 0.00 1.99 -0.16 3.53 0.11 -0.95 -5.06 120.40 119.86 3iss s VAL 79 Ca 0.00 -1.31 0.15 0.00 -2.93 0.00 0.00 61.98 57.89 3iss s VAL 79 Cb 0.00 -1.71 0.41 0.00 -1.53 0.00 0.00 36.38 33.55 3iss s VAL 79 CO 0.00 0.34 1.20 0.49 -3.33 0.00 0.00 175.10 173.80 3iss n PHE 80 N 1.85 0.00 -4.55 1.54 3.72 -1.26 -4.69 117.46 114.07 3iss n PHE 80 Ca -0.17 -1.23 -0.24 0.00 -0.05 0.00 0.00 57.45 55.77 3iss n PHE 80 Cb 0.52 -0.22 -0.16 0.00 -0.94 0.00 0.00 39.48 38.68 3iss n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iss s ALA 82 N 0.56 3.49 0.55 0.00 0.00 0.46 -4.90 121.76 121.91 3iss s ALA 82 Ca -0.12 -1.93 -0.17 0.00 0.00 0.00 0.00 51.96 49.74 3iss s ALA 82 Cb -0.14 -3.16 -0.06 0.00 0.00 0.00 0.00 23.12 19.76 3iss s ALA 82 CO 0.03 -1.80 1.04 -1.25 0.00 0.00 0.00 175.76 173.78 3iss s PRO 83 N 2.02 3.55 0.29 0.00 0.04 -1.26 -2.26 135.00 137.37 3iss s PRO 83 Ca 0.08 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.33 3iss s PRO 83 Cb -0.22 -2.06 0.65 0.00 0.04 0.00 0.00 34.50 32.90 3iss s PRO 83 CO 0.09 -0.63 1.58 -0.92 0.04 0.00 0.00 177.00 177.17 3iss h TYR 84 N 0.84 -0.11 -0.29 0.56 3.20 -1.97 -1.29 116.97 117.90 3iss h TYR 84 Ca -0.48 0.07 0.07 0.00 3.14 0.00 0.00 58.73 61.53 3iss h TYR 84 Cb 1.22 0.20 -0.01 0.00 1.54 0.00 0.00 36.73 39.67 3iss h TYR 84 CO 0.59 -0.39 0.20 -0.44 -1.64 0.00 0.00 178.16 176.48 3iss h ASP 85 N 0.03 0.07 0.00 -2.11 3.32 -2.00 -1.61 116.42 114.12 3iss h ASP 85 Ca 0.54 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.49 3iss h ASP 85 Cb 1.06 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 3iss h ASP 85 CO -0.88 0.05 -0.69 -0.07 -1.72 0.00 0.00 179.24 175.93 3iss h LEU 86 N 0.08 0.00 -0.90 1.55 4.07 -1.61 -3.36 115.31 115.13 3iss h LEU 86 Ca 0.13 -0.46 0.19 0.00 0.08 0.00 0.00 57.88 57.82 3iss h LEU 86 Cb 0.43 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.06 3iss h LEU 86 CO -0.01 1.13 0.46 0.58 -1.08 0.00 0.00 178.44 179.51 3iss h VAL 87 N -1.00 0.61 0.00 1.22 2.07 -1.38 0.94 116.25 118.72 3iss h VAL 87 Ca -0.16 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3iss h VAL 87 Cb 0.94 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 3iss h VAL 87 CO -0.10 0.10 -0.02 0.07 0.02 0.00 0.00 177.57 177.64 3iss h LYS 88 N 0.56 0.00 0.00 1.57 2.10 -1.47 -1.60 116.57 117.73 3iss h LYS 88 Ca 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.18 3iss h LYS 88 Cb 0.89 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.22 3iss h LYS 88 CO -0.44 0.02 -0.59 0.25 -2.00 0.00 0.00 179.45 176.70 3iss n THR 89 N -4.29 0.28 -3.15 0.07 -2.24 0.29 -4.75 114.28 100.49 3iss n THR 89 Ca -0.03 -0.22 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 3iss n THR 89 Cb 0.11 -0.07 -0.00 0.00 -2.10 0.00 0.00 70.33 68.27 3iss n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3iss s MET 90 N -3.13 0.54 0.16 -0.78 1.75 -0.61 -5.04 119.30 112.17 3iss s MET 90 Ca 0.07 0.44 0.15 0.00 -1.25 0.00 0.00 55.69 55.09 3iss s MET 90 Cb 0.14 0.22 0.69 0.00 2.84 0.00 0.00 34.83 38.72 3iss s MET 90 CO 0.71 -0.98 1.45 2.89 -0.65 0.00 0.00 175.02 178.44 3iss n ARG 91 N 5.29 0.09 0.28 4.11 1.85 -1.13 -1.62 116.66 125.53 3iss n ARG 91 Ca 0.06 0.48 0.18 0.00 -1.00 0.00 0.00 57.85 57.57 3iss n ARG 91 Cb 0.55 -1.72 0.85 0.00 -1.05 0.00 0.00 32.46 31.08 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss h ALA 92 N 2.15 1.00 -1.36 2.89 0.00 -1.96 -2.59 119.26 119.39 3iss h ALA 92 Ca 0.00 0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.30 3iss h ALA 92 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3iss h ALA 92 CO 0.00 0.00 1.00 0.77 0.00 0.00 0.00 179.25 181.02 3iss h SER 93 N 0.00 0.00 -0.19 0.00 0.02 -1.64 0.53 113.55 112.27 3iss h SER 93 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 3iss h SER 93 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 3iss h SER 93 CO 0.00 0.00 0.50 -0.29 -1.14 0.00 0.00 176.83 175.90 3iss h ILE 94 N 0.00 0.11 0.00 3.27 6.09 -1.72 0.79 117.51 126.05 3iss h ILE 94 Ca 0.65 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.14 3iss h ILE 94 Cb 2.65 0.55 0.00 0.00 0.47 0.00 0.00 36.82 40.48 3iss h ILE 94 CO -0.01 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.86 3iss n TRP 95 N -3.11 0.29 0.16 2.19 8.01 0.18 -1.80 117.44 123.35 3iss n TRP 95 Ca 0.03 0.12 0.01 0.00 -1.31 0.00 0.00 57.50 56.34 3iss n TRP 95 Cb 0.59 -0.69 0.28 0.00 -2.01 0.00 0.00 31.31 29.48 3iss n TRP 95 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3iss h ALA 96 N 2.32 1.22 0.23 6.99 0.00 -1.07 -3.34 119.26 125.61 3iss h ALA 96 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.50 3iss h ALA 96 Cb 0.23 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3iss h ALA 96 CO 0.00 0.58 -0.42 1.25 0.00 0.00 0.00 179.25 180.66 3iss h LEU 97 N 0.02 -1.21 -0.12 0.00 5.85 -1.57 -2.51 115.31 115.78 3iss h LEU 97 Ca -0.00 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3iss h LEU 97 Cb 0.82 0.44 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3iss h LEU 97 CO 0.06 -0.52 -0.25 1.23 -0.34 0.00 0.00 178.44 178.62 3iss h GLY 98 N -0.73 -1.43 0.52 3.75 0.00 -1.78 -2.04 103.07 101.37 3iss h GLY 98 Ca -0.00 0.73 0.09 0.00 0.00 0.00 0.00 47.33 48.14 3iss h GLY 98 CO -0.18 -0.43 0.41 -2.55 0.00 0.00 0.00 176.54 173.78 3iss h PRO 99 N -0.23 0.68 -0.35 4.80 0.11 -1.74 -1.17 132.00 134.10 3iss h PRO 99 Ca 0.02 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.14 3iss h PRO 99 Cb 0.29 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.21 3iss h PRO 99 CO -0.23 0.45 0.08 -0.07 -0.21 0.00 0.00 178.00 178.01 3iss h LEU 100 N 0.70 0.03 -0.64 2.35 3.38 -1.17 -0.65 115.31 119.30 3iss h LEU 100 Ca 0.36 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.25 3iss h LEU 100 Cb 0.34 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iss h LEU 100 CO -0.25 0.05 -0.36 0.58 0.09 0.00 0.00 178.44 178.55 3iss h VAL 101 N 0.20 1.29 -0.62 1.22 2.07 -0.94 0.18 116.25 119.64 3iss h VAL 101 Ca 0.16 -1.51 -0.05 0.00 0.82 0.00 0.00 66.70 66.12 3iss h VAL 101 Cb 0.18 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 3iss h VAL 101 CO -0.21 0.49 0.20 0.00 0.02 0.00 0.00 177.57 178.07 3iss h ALA 102 N 1.05 0.81 0.08 1.67 0.00 -0.89 -2.21 119.26 119.78 3iss h ALA 102 Ca 0.05 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.40 3iss h ALA 102 Cb 0.88 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3iss h ALA 102 CO 0.08 0.47 -2.08 -2.13 0.00 0.00 0.00 179.25 175.59 3iss n ARG 103 N -4.39 0.71 0.00 0.00 0.63 -0.28 -4.56 116.66 108.77 3iss n ARG 103 Ca 0.04 0.26 0.05 0.00 -0.92 0.00 0.00 57.85 57.27 3iss n ARG 103 Cb 0.20 -1.66 0.01 0.00 0.45 0.00 0.00 32.46 31.47 3iss n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 104 N -3.53 0.00 -0.96 -0.14 3.72 0.04 -4.98 117.46 111.61 3iss n PHE 104 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 3iss n PHE 104 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 3iss n PHE 104 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3iss n GLY 105 N 0.78 0.73 3.19 1.37 0.00 -0.83 -4.98 105.19 105.45 3iss n GLY 105 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 3iss n GLY 105 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3iss s GLN 106 N -0.15 0.80 -0.29 1.61 -2.07 -1.25 -1.13 119.66 117.18 3iss s GLN 106 Ca 0.00 -0.96 -0.20 0.00 -1.82 0.00 0.00 55.36 52.38 3iss s GLN 106 Cb 0.00 0.32 0.16 0.00 -1.09 0.00 0.00 33.01 32.40 3iss s GLN 106 CO 0.00 -0.24 1.15 0.20 -1.32 0.00 0.00 175.29 175.08 3iss s GLY 107 N -2.80 0.17 -0.21 2.60 0.00 -0.62 -2.97 107.32 103.49 3iss s GLY 107 Ca 0.04 3.25 -0.00 0.00 0.00 0.00 0.00 44.72 48.01 3iss s GLY 107 CO -0.10 2.28 -0.05 1.20 0.00 0.00 0.00 173.10 176.43 3iss s GLN 108 N 0.69 1.49 -0.04 2.90 1.11 -0.05 -0.50 119.66 125.26 3iss s GLN 108 Ca -0.02 -0.76 0.06 0.00 0.01 0.00 0.00 55.36 54.65 3iss s GLN 108 Cb -0.04 -2.34 -0.01 0.00 -1.01 0.00 0.00 33.01 29.61 3iss s GLN 108 CO -0.12 -0.54 -0.21 0.08 0.01 0.00 0.00 175.29 174.51 3iss s VAL 109 N 1.52 1.74 0.21 1.09 1.01 -0.70 -0.41 120.40 124.86 3iss s VAL 109 Ca -0.03 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.73 3iss s VAL 109 Cb -0.17 -1.47 -0.11 0.00 0.00 0.00 0.00 36.38 34.63 3iss s VAL 109 CO -0.07 0.49 1.61 -0.55 0.00 0.00 0.00 175.10 176.58 3iss s SER 110 N -0.23 6.49 -0.08 3.32 0.15 -0.96 -0.32 113.70 122.07 3iss s SER 110 Ca 0.01 2.75 -0.30 0.00 0.70 0.00 0.00 55.95 59.12 3iss s SER 110 Cb -0.11 -2.61 -0.05 0.00 -1.71 0.00 0.00 66.02 61.55 3iss s SER 110 CO 0.02 -0.87 1.57 -0.22 1.20 0.00 0.00 173.24 174.94 3iss s LEU 111 N 0.73 4.28 0.64 3.45 1.98 -0.06 -4.82 118.68 124.87 3iss s LEU 111 Ca 0.69 2.10 -0.17 0.00 -2.89 0.00 0.00 54.13 53.86 3iss s LEU 111 Cb -0.46 -3.53 -0.01 0.00 0.66 0.00 0.00 46.19 42.84 3iss s LEU 111 CO 0.35 -0.90 1.20 -2.84 -1.89 0.00 0.00 176.35 172.27 3iss s PRO 112 N 3.95 2.72 0.00 0.98 0.02 -1.26 -5.00 135.00 136.41 3iss s PRO 112 Ca 0.69 1.79 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3iss s PRO 112 Cb -0.31 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3iss s PRO 112 CO 0.26 -1.39 0.00 0.41 -0.33 0.00 0.00 177.00 175.95 3iss n GLY 113 N 0.41 1.72 3.78 0.52 0.00 -1.26 -5.03 105.19 105.33 3iss n GLY 113 Ca 0.13 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 3iss n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iss s GLY 114 N 0.00 2.84 0.11 -0.02 0.00 -1.26 -4.85 107.32 104.14 3iss s GLY 114 Ca 0.00 0.55 0.10 0.00 0.00 0.00 0.00 44.72 45.38 3iss s GLY 114 CO 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 173.10 173.87 3iss h THR 116 N 3.87 0.00 -0.00 0.00 1.35 -1.97 -3.17 112.91 112.99 3iss h THR 116 Ca -0.50 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3iss h THR 116 Cb 1.16 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3iss h THR 116 CO 0.42 0.00 -0.33 2.30 -0.25 0.00 0.00 175.52 177.66 3iss n ILE 117 N -3.00 0.00 -0.73 6.82 -5.35 -1.26 -4.89 119.36 110.95 3iss n ILE 117 Ca -0.00 -0.03 0.00 0.00 -0.27 0.00 0.00 62.75 62.44 3iss n ILE 117 Cb 0.22 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.24 3iss n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iss n GLY 118 N 1.44 0.35 3.70 3.28 0.00 -1.20 -3.49 105.19 109.28 3iss n GLY 118 Ca 0.08 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3iss n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 119 N -1.06 3.69 -0.37 4.61 0.00 -1.26 -4.19 121.76 123.19 3iss s ALA 119 Ca 0.00 1.22 0.14 0.00 0.00 0.00 0.00 51.96 53.32 3iss s ALA 119 Cb 0.00 -3.63 0.40 0.00 0.00 0.00 0.00 23.12 19.88 3iss s ALA 119 CO 0.00 -0.89 0.85 0.54 0.00 0.00 0.00 175.76 176.26 3iss n ARG 120 N 4.72 1.30 -1.31 0.00 1.74 -1.26 -5.05 116.66 116.81 3iss n ARG 120 Ca 0.14 -3.48 -0.33 0.00 -0.77 0.00 0.00 57.85 53.41 3iss n ARG 120 Cb 0.40 -1.58 0.10 0.00 -1.02 0.00 0.00 32.46 30.36 3iss n ARG 120 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3iss s PRO 121 N -2.82 2.00 -0.17 5.56 0.04 -1.26 -4.98 135.00 133.37 3iss s PRO 121 Ca 0.36 1.63 0.15 0.00 0.04 0.00 0.00 61.00 63.18 3iss s PRO 121 Cb 0.39 -1.83 0.36 0.00 0.04 0.00 0.00 34.50 33.46 3iss s PRO 121 CO -0.04 -1.91 1.19 1.33 0.04 0.00 0.00 177.00 177.60 3iss n VAL 122 N -3.05 2.05 -0.28 -0.36 0.24 -1.26 -4.78 118.33 110.90 3iss n VAL 122 Ca 0.12 -2.75 0.18 0.00 -2.04 0.00 0.00 64.34 59.86 3iss n VAL 122 Cb 0.51 -0.24 0.46 0.00 -1.47 0.00 0.00 33.84 33.10 3iss n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3iss h ASP 123 N 0.50 0.51 0.18 -1.34 2.03 -2.00 -0.81 116.42 115.51 3iss h ASP 123 Ca 0.00 0.06 -0.12 0.00 -0.73 0.00 0.00 57.03 56.24 3iss h ASP 123 Cb 1.01 -0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 3iss h ASP 123 CO 0.01 0.19 -0.43 -0.07 -1.03 0.00 0.00 179.24 177.90 3iss h LEU 124 N 0.51 0.33 0.08 0.15 3.38 -1.99 0.22 115.31 117.99 3iss h LEU 124 Ca 0.51 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 3iss h LEU 124 Cb 1.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3iss h LEU 124 CO -0.24 0.73 -0.04 0.45 0.09 0.00 0.00 178.44 179.43 3iss h HIS 125 N 0.26 -0.11 0.09 1.13 3.86 -1.50 -1.61 115.15 117.28 3iss h HIS 125 Ca 0.02 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3iss h HIS 125 Cb 0.87 0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.38 3iss h HIS 125 CO 0.02 0.09 -0.04 0.82 0.86 0.00 0.00 177.93 179.68 3iss h ILE 126 N -0.29 0.99 -0.80 2.45 2.04 -1.35 -2.40 117.51 118.15 3iss h ILE 126 Ca -0.01 -0.29 0.04 0.00 1.00 0.00 0.00 64.86 65.60 3iss h ILE 126 Cb 0.25 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.45 3iss h ILE 126 CO 0.02 0.07 0.50 -1.28 0.00 0.00 0.00 178.15 177.46 3iss h SER 127 N -0.25 0.81 -0.91 1.72 0.87 -1.00 -1.24 113.55 113.56 3iss h SER 127 Ca -0.01 0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3iss h SER 127 Cb 0.21 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 61.95 3iss h SER 127 CO 0.02 0.55 0.59 1.23 -0.53 0.00 0.00 176.83 178.69 3iss h GLY 128 N 0.95 1.32 1.18 5.77 0.00 -1.13 -1.04 103.07 110.13 3iss h GLY 128 Ca 0.33 -0.45 -0.17 0.00 0.00 0.00 0.00 47.33 47.04 3iss h GLY 128 CO -0.14 0.39 -0.47 1.41 0.00 0.00 0.00 176.54 177.73 3iss h LEU 129 N 1.15 0.96 -0.91 3.11 3.38 -0.86 -2.37 115.31 119.76 3iss h LEU 129 Ca 0.36 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 3iss h LEU 129 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3iss h LEU 129 CO -0.12 1.27 0.29 -0.33 0.09 0.00 0.00 178.44 179.64 3iss h GLU 130 N 0.69 1.08 0.00 1.13 5.08 -1.00 -1.21 114.58 120.36 3iss h GLU 130 Ca 0.04 -0.19 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3iss h GLU 130 Cb 1.07 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3iss h GLU 130 CO 0.11 0.88 -0.16 0.37 -1.00 0.00 0.00 179.01 179.21 3iss h GLN 131 N 1.06 0.00 -0.31 2.33 4.15 -0.99 -0.82 115.11 120.53 3iss h GLN 131 Ca 0.25 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3iss h GLN 131 Cb 0.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.89 3iss h GLN 131 CO -0.02 0.16 0.00 1.28 -1.93 0.00 0.00 178.83 178.32 3iss n LEU 132 N -3.60 1.70 0.00 -2.39 4.77 -0.55 -4.78 117.00 112.15 3iss n LEU 132 Ca -0.01 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.12 3iss n LEU 132 Cb 0.29 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iss n LEU 132 CO 0.31 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3iss n GLY 133 N 1.02 0.57 3.79 -0.72 0.00 -0.31 -1.37 105.19 108.16 3iss n GLY 133 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3iss n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 134 N -2.20 2.96 -0.19 4.61 0.00 -0.62 -4.86 121.76 121.46 3iss s ALA 134 Ca 0.00 0.65 -0.08 0.00 0.00 0.00 0.00 51.96 52.53 3iss s ALA 134 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3iss s ALA 134 CO 0.00 -0.28 0.09 0.99 0.00 0.00 0.00 175.76 176.56 3iss s THR 135 N -1.85 5.03 -0.08 0.00 2.01 0.32 -4.24 115.64 116.83 3iss s THR 135 Ca 0.63 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.71 3iss s THR 135 Cb -0.19 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.05 3iss s THR 135 CO 0.23 0.45 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.85 3iss s ILE 136 N 0.42 1.25 0.15 1.82 1.01 -1.26 -1.23 121.20 123.36 3iss s ILE 136 Ca 0.05 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3iss s ILE 136 Cb -0.12 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3iss s ILE 136 CO -0.00 0.39 -0.06 -1.59 0.00 0.00 0.00 174.94 173.67 3iss s LYS 137 N 0.81 1.05 -0.23 2.79 -2.85 -0.37 -4.98 119.74 115.96 3iss s LYS 137 Ca -0.11 -1.46 0.02 0.00 -1.00 0.00 0.00 55.97 53.41 3iss s LYS 137 Cb -0.15 -0.46 0.05 0.00 -2.06 0.00 0.00 37.83 35.21 3iss s LYS 137 CO 0.02 -0.00 -0.13 -1.17 0.10 0.00 0.00 175.35 174.16 3iss s LEU 138 N -3.16 2.97 -0.01 2.77 2.96 -1.26 0.04 118.68 123.00 3iss s LEU 138 Ca 0.18 -1.15 0.01 0.00 -0.22 0.00 0.00 54.13 52.95 3iss s LEU 138 Cb 0.04 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.24 3iss s LEU 138 CO 0.01 -0.14 -0.02 -1.83 -1.32 0.00 0.00 176.35 173.05 3iss s GLU 139 N 1.18 0.25 -1.81 1.98 -1.05 -0.70 -4.83 118.70 113.73 3iss s GLU 139 Ca -0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 54.97 54.71 3iss s GLU 139 Cb -0.18 -0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.23 3iss s GLU 139 CO -0.07 0.02 0.00 0.39 0.95 0.00 0.00 175.26 176.54 3iss n GLU 140 N 3.26 -1.66 -0.88 -4.83 1.02 -1.26 -1.12 120.64 115.17 3iss n GLU 140 Ca -0.16 1.02 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 3iss n GLU 140 Cb 0.57 -5.58 0.00 0.00 -0.02 0.00 0.00 31.44 26.41 3iss n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iss n GLY 141 N -0.79 0.86 3.75 0.62 0.00 -1.26 -5.04 105.19 103.34 3iss n GLY 141 Ca -0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3iss n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 142 N -3.41 3.41 -0.40 1.61 2.02 -0.27 -0.88 117.35 119.43 3iss s TYR 142 Ca 0.00 0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.76 3iss s TYR 142 Cb 0.00 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.53 3iss s TYR 142 CO 0.00 0.40 0.93 0.54 -1.57 0.00 0.00 175.55 175.85 3iss s VAL 143 N -0.12 4.54 -0.30 0.71 0.11 0.56 -1.72 120.40 124.19 3iss s VAL 143 Ca 0.09 1.04 -0.09 0.00 -2.93 0.00 0.00 61.98 60.09 3iss s VAL 143 Cb -0.12 -4.37 -0.01 0.00 -1.53 0.00 0.00 36.38 30.35 3iss s VAL 143 CO 0.00 -0.65 0.14 -0.54 -3.33 0.00 0.00 175.10 170.72 3iss s LYS 144 N 3.60 3.39 0.02 1.54 1.02 0.11 -1.72 119.74 127.69 3iss s LYS 144 Ca 0.38 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 55.74 3iss s LYS 144 Cb -0.11 -3.52 -0.03 0.00 -0.52 0.00 0.00 37.83 33.64 3iss s LYS 144 CO 0.22 -0.38 -0.09 0.00 -0.92 0.00 0.00 175.35 174.18 3iss s ALA 145 N 1.61 2.93 -0.00 5.17 0.00 0.34 -1.24 121.76 130.57 3iss s ALA 145 Ca 0.05 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.76 3iss s ALA 145 Cb -0.17 -1.03 0.03 0.00 0.00 0.00 0.00 23.12 21.96 3iss s ALA 145 CO 0.06 0.61 0.37 -1.54 0.00 0.00 0.00 175.76 175.26 3iss s SER 146 N -1.51 -0.25 -0.09 0.00 1.04 -0.37 -1.59 113.70 110.93 3iss s SER 146 Ca 0.17 0.11 -0.05 0.00 0.48 0.00 0.00 55.95 56.65 3iss s SER 146 Cb -0.11 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.41 3iss s SER 146 CO 0.08 -0.52 0.23 0.54 0.98 0.00 0.00 173.24 174.54 3iss s VAL 147 N -1.66 -0.03 -0.58 5.02 0.11 -0.28 -0.52 120.40 122.45 3iss s VAL 147 Ca -0.11 0.12 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 3iss s VAL 147 Cb -0.03 -0.35 0.01 0.00 -1.53 0.00 0.00 36.38 34.48 3iss s VAL 147 CO 0.03 0.05 1.44 -0.62 -3.33 0.00 0.00 175.10 172.66 3iss s ASP 148 N 0.99 6.07 0.28 3.54 2.15 -1.26 -4.71 116.67 123.72 3iss s ASP 148 Ca -0.07 0.23 0.00 0.00 0.43 0.00 0.00 52.55 53.14 3iss s ASP 148 Cb -0.09 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 148 CO -0.06 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 173.78 3iss n GLY 149 N 5.30 0.64 3.62 2.66 0.00 -1.26 -4.94 105.19 111.21 3iss n GLY 149 Ca 0.12 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 2.00 0.80 1.61 1.70 -1.26 -4.70 118.95 119.10 3iss s ARG 150 Ca 0.00 -1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 53.29 3iss s ARG 150 Cb 0.00 -1.83 0.07 0.00 -0.57 0.00 0.00 34.95 32.62 3iss s ARG 150 CO 0.00 0.08 1.09 -0.51 -1.08 0.00 0.00 175.30 174.88 3iss s LEU 151 N -3.70 2.81 -0.13 -1.89 1.43 -1.26 -4.81 118.68 111.12 3iss s LEU 151 Ca 0.35 1.67 0.02 0.00 -1.03 0.00 0.00 54.13 55.14 3iss s LEU 151 Cb 0.03 -4.32 0.00 0.00 0.03 0.00 0.00 46.19 41.93 3iss s LEU 151 CO 0.19 -2.11 -0.19 -0.54 0.23 0.00 0.00 176.35 173.93 3iss s LYS 152 N -4.95 3.14 0.37 1.70 1.02 -0.47 0.31 119.74 120.86 3iss s LYS 152 Ca 0.61 -0.80 -0.24 0.00 0.02 0.00 0.00 55.97 55.56 3iss s LYS 152 Cb -0.17 -2.50 -0.13 0.00 -0.52 0.00 0.00 37.83 34.52 3iss s LYS 152 CO 0.56 0.07 0.72 0.41 -0.92 0.00 0.00 175.35 176.19 3iss n GLY 153 N 3.87 -1.05 3.38 -3.33 0.00 -0.02 -4.59 105.19 103.45 3iss n GLY 153 Ca -0.19 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3iss n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 154 N -1.30 -0.67 -0.47 4.61 0.00 -1.05 -4.76 121.76 118.12 3iss s ALA 154 Ca 0.62 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 52.06 3iss s ALA 154 Cb -0.65 0.76 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3iss s ALA 154 CO 0.58 -0.68 0.56 -1.58 0.00 0.00 0.00 175.76 174.63 3iss s HIS 155 N -3.87 3.10 -0.21 0.00 2.46 -1.26 -0.94 115.29 114.56 3iss s HIS 155 Ca 0.08 -0.46 -0.03 0.00 0.47 0.00 0.00 55.06 55.13 3iss s HIS 155 Cb 0.02 -3.30 0.00 0.00 -0.13 0.00 0.00 32.58 29.16 3iss s HIS 155 CO -0.06 -0.90 -0.08 0.42 -2.47 0.00 0.00 174.74 171.65 3iss s ILE 156 N 2.44 3.05 -0.31 0.89 1.01 0.81 -4.96 121.20 124.12 3iss s ILE 156 Ca 0.14 -0.63 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 3iss s ILE 156 Cb -0.18 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 3iss s ILE 156 CO 0.13 0.43 0.16 -0.69 0.00 0.00 0.00 174.94 174.97 3iss s VAL 157 N 1.43 4.68 -0.08 2.92 1.01 -1.26 -0.25 120.40 128.86 3iss s VAL 157 Ca 0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 3iss s VAL 157 Cb -0.14 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.83 3iss s VAL 157 CO -0.06 0.05 0.95 -0.04 0.00 0.00 0.00 175.10 176.01 3iss s MET 158 N 1.63 4.45 0.15 2.72 1.00 -0.31 -4.94 119.30 124.00 3iss s MET 158 Ca 0.05 1.31 -0.17 0.00 0.00 0.00 0.00 55.69 56.88 3iss s MET 158 Cb -0.17 -3.51 0.05 0.00 0.00 0.00 0.00 34.83 31.20 3iss s MET 158 CO 0.07 -0.20 1.74 0.22 0.00 0.00 0.00 175.02 176.84 3iss h ASP 159 N 7.00 0.05 -4.53 3.03 1.82 -1.93 -3.44 116.42 118.42 3iss h ASP 159 Ca -0.35 0.05 -0.40 0.00 -0.39 0.00 0.00 57.03 55.94 3iss h ASP 159 Cb 1.17 0.06 -0.14 0.00 0.68 0.00 0.00 39.33 41.10 3iss h ASP 159 CO 0.81 0.06 -0.58 -1.59 -1.61 0.00 0.00 179.24 176.34 3iss s LYS 160 N -6.17 1.55 -0.13 0.28 -2.85 -1.26 -5.12 119.74 106.04 3iss s LYS 160 Ca -0.13 -1.88 -0.27 0.00 -1.00 0.00 0.00 55.97 52.69 3iss s LYS 160 Cb 0.12 -0.20 -0.01 0.00 -2.06 0.00 0.00 37.83 35.67 3iss s LYS 160 CO 0.71 -0.39 0.92 0.08 0.10 0.00 0.00 175.35 176.76 3iss s VAL 161 N -3.63 4.83 -0.08 1.79 1.01 -1.26 -4.98 120.40 118.08 3iss s VAL 161 Ca 0.36 1.84 -0.03 0.00 0.00 0.00 0.00 61.98 64.14 3iss s VAL 161 Cb 0.06 -4.23 0.05 0.00 0.00 0.00 0.00 36.38 32.26 3iss s VAL 161 CO 0.16 0.02 0.16 -0.55 0.00 0.00 0.00 175.10 174.89 3iss s SER 162 N 1.11 0.66 0.12 3.32 0.15 -1.26 -5.01 113.70 112.78 3iss s SER 162 Ca 0.43 0.33 -0.18 0.00 0.70 0.00 0.00 55.95 57.24 3iss s SER 162 Cb -0.17 0.26 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 3iss s SER 162 CO 0.15 -0.23 1.70 0.58 1.20 0.00 0.00 173.24 176.64 3iss h VAL 163 N 6.33 1.15 -0.19 4.45 2.07 -1.95 -2.17 116.25 125.95 3iss h VAL 163 Ca -0.16 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3iss h VAL 163 Cb 1.12 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3iss h VAL 163 CO 0.17 0.16 0.07 1.23 0.02 0.00 0.00 177.57 179.22 3iss h GLY 164 N 0.39 0.31 1.58 2.17 0.00 -2.00 -2.30 103.07 103.21 3iss h GLY 164 Ca 0.11 -0.18 -0.16 0.00 0.00 0.00 0.00 47.33 47.10 3iss h GLY 164 CO -0.01 0.17 -0.60 0.00 0.00 0.00 0.00 176.54 176.09 3iss h ALA 165 N 0.90 0.73 -0.67 3.60 0.00 -1.93 -1.20 119.26 120.69 3iss h ALA 165 Ca 0.06 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.45 3iss h ALA 165 Cb 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3iss h ALA 165 CO -0.00 0.71 0.44 1.15 0.00 0.00 0.00 179.25 181.54 3iss h THR 166 N 0.33 1.15 -0.23 0.00 2.02 -1.33 -0.83 112.91 114.01 3iss h THR 166 Ca -0.00 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 3iss h THR 166 Cb 1.13 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3iss h THR 166 CO 0.10 0.16 0.03 0.58 0.37 0.00 0.00 175.52 176.77 3iss h VAL 167 N 0.88 1.23 -0.11 3.16 2.07 -1.15 -1.30 116.25 121.04 3iss h VAL 167 Ca 0.25 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3iss h VAL 167 Cb -0.07 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 3iss h VAL 167 CO -0.07 0.25 -0.20 0.74 0.02 0.00 0.00 177.57 178.31 3iss h THR 168 N 0.19 0.51 -0.24 2.57 2.02 -0.85 -1.02 112.91 116.09 3iss h THR 168 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 3iss h THR 168 Cb 0.34 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3iss h THR 168 CO 0.01 0.00 -0.09 0.40 0.37 0.00 0.00 175.52 176.21 3iss h ILE 169 N -0.26 1.30 -0.54 3.11 2.04 -1.16 -1.93 117.51 120.08 3iss h ILE 169 Ca 0.09 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.90 3iss h ILE 169 Cb 0.39 1.54 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 3iss h ILE 169 CO -0.26 0.35 0.16 -0.03 0.00 0.00 0.00 178.15 178.37 3iss h MET 170 N 0.20 0.31 -0.32 2.37 4.05 -1.04 -1.21 114.93 119.30 3iss h MET 170 Ca 0.06 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.39 3iss h MET 170 Cb 0.57 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3iss h MET 170 CO 0.03 0.20 -0.05 0.00 0.23 0.00 0.00 176.91 177.32 3iss h ALA 172 N 0.81 1.42 0.00 0.00 0.00 -1.02 -2.92 119.26 117.55 3iss h ALA 172 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3iss h ALA 172 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iss h ALA 172 CO 0.03 0.42 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 3iss h ALA 173 N 1.54 1.07 0.00 0.00 0.00 -1.10 -3.12 119.26 117.65 3iss h ALA 173 Ca 0.12 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iss h ALA 173 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iss h ALA 173 CO 0.00 0.38 0.10 1.79 0.00 0.00 0.00 179.25 181.53 3iss h THR 174 N 0.00 0.00 -0.03 0.00 1.35 -1.48 -0.37 112.91 112.37 3iss h THR 174 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3iss h THR 174 Cb 0.76 0.81 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3iss h THR 174 CO 0.04 0.00 -0.16 0.18 -0.25 0.00 0.00 175.52 175.33 3iss n LEU 175 N -2.88 2.65 -4.98 3.87 4.77 -1.18 -1.87 117.00 117.39 3iss n LEU 175 Ca -0.02 -3.38 -0.20 0.00 -0.03 0.00 0.00 56.01 52.37 3iss n LEU 175 Cb 0.16 -0.48 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3iss n LEU 175 CO 0.16 0.95 0.26 0.00 -1.33 0.00 0.00 177.39 177.44 3iss s ALA 176 N -3.01 4.03 -0.41 -1.18 0.00 -0.15 -4.49 121.76 116.55 3iss s ALA 176 Ca 0.35 -1.34 -0.27 0.00 0.00 0.00 0.00 51.96 50.70 3iss s ALA 176 Cb 0.32 -1.95 0.02 0.00 0.00 0.00 0.00 23.12 21.51 3iss s ALA 176 CO 0.00 -0.47 1.02 -1.21 0.00 0.00 0.00 175.76 175.11 3iss s GLU 177 N -4.55 3.79 0.99 0.00 2.02 0.15 -4.06 118.70 117.03 3iss s GLU 177 Ca 0.53 0.59 0.00 0.00 0.02 0.00 0.00 54.97 56.11 3iss s GLU 177 Cb -0.10 -3.85 0.00 0.00 0.10 0.00 0.00 34.13 30.28 3iss s GLU 177 CO 0.36 -1.13 0.00 0.41 0.02 0.00 0.00 175.26 174.92 3iss n GLY 178 N 4.54 -1.11 3.63 -1.39 0.00 -1.26 -0.84 105.19 108.76 3iss n GLY 178 Ca 0.09 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 3iss n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 179 N 0.00 4.77 -0.07 2.61 2.01 -1.26 -0.95 115.64 122.75 3iss s THR 179 Ca 0.00 -0.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.94 3iss s THR 179 Cb 0.00 -3.15 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 3iss s THR 179 CO 0.00 0.46 0.02 -0.89 -0.69 0.00 0.00 174.62 173.52 3iss s THR 180 N 0.37 4.42 -0.13 -0.82 2.01 0.38 -2.54 115.64 119.34 3iss s THR 180 Ca 0.03 -0.27 -0.00 0.00 0.31 0.00 0.00 61.69 61.75 3iss s THR 180 Cb -0.12 -2.89 0.03 0.00 0.01 0.00 0.00 72.50 69.52 3iss s THR 180 CO 0.00 0.56 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.78 3iss s ILE 181 N -0.95 1.11 -0.33 1.82 1.01 -0.12 -1.26 121.20 122.49 3iss s ILE 181 Ca 0.15 -0.40 -0.14 0.00 0.00 0.00 0.00 60.65 60.26 3iss s ILE 181 Cb -0.11 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.19 3iss s ILE 181 CO 0.04 0.33 0.31 -0.63 0.00 0.00 0.00 174.94 175.00 3iss s ILE 182 N 1.67 5.22 -0.05 2.92 1.01 -0.16 -0.14 121.20 131.67 3iss s ILE 182 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.70 3iss s ILE 182 Cb -0.13 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3iss s ILE 182 CO -0.08 -0.00 0.14 -1.61 0.00 0.00 0.00 174.94 173.39 3iss s GLU 183 N 1.91 3.36 -1.08 2.79 0.41 0.66 -1.69 118.70 125.05 3iss s GLU 183 Ca 0.10 -0.29 -0.06 0.00 -0.41 0.00 0.00 54.97 54.31 3iss s GLU 183 Cb -0.17 -3.07 0.01 0.00 -1.78 0.00 0.00 34.13 29.12 3iss s GLU 183 CO 0.11 0.71 0.85 -1.71 -0.49 0.00 0.00 175.26 174.73 3iss n ASN 184 N 1.40 -5.38 -4.79 -0.19 4.05 -0.38 -1.16 115.26 108.81 3iss n ASN 184 Ca -0.15 -0.39 -0.33 0.00 0.45 0.00 0.00 54.58 54.17 3iss n ASN 184 Cb 0.53 -4.02 0.03 0.00 1.23 0.00 0.00 39.78 37.55 3iss n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iss s ALA 185 N -3.21 2.63 0.36 5.20 0.00 -0.09 -4.61 121.76 122.03 3iss s ALA 185 Ca 0.42 0.43 -0.26 0.00 0.00 0.00 0.00 51.96 52.56 3iss s ALA 185 Cb -0.19 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3iss s ALA 185 CO 0.52 -1.02 1.10 0.00 0.00 0.00 0.00 175.76 176.36 3iss s ALA 186 N -2.44 3.21 -1.51 0.00 0.00 -1.26 -4.50 121.76 115.26 3iss s ALA 186 Ca 0.65 0.83 0.15 0.00 0.00 0.00 0.00 51.96 53.59 3iss s ALA 186 Cb -0.18 -3.32 0.34 0.00 0.00 0.00 0.00 23.12 19.96 3iss s ALA 186 CO 0.40 -0.27 1.25 0.54 0.00 0.00 0.00 175.76 177.68 3iss n ARG 187 N 0.40 2.32 -1.52 0.00 3.00 -1.26 -4.66 116.66 114.95 3iss n ARG 187 Ca 0.03 -2.02 -0.49 0.00 -0.01 0.00 0.00 57.85 55.36 3iss n ARG 187 Cb 0.47 -1.36 -0.04 0.00 0.00 0.00 0.00 32.46 31.54 3iss n ARG 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3iss n GLU 188 N 0.92 0.72 -0.30 5.56 4.71 -1.26 -4.55 120.64 126.43 3iss n GLU 188 Ca 0.14 0.25 0.20 0.00 -0.01 0.00 0.00 57.16 57.75 3iss n GLU 188 Cb 0.47 -1.56 0.48 0.00 -1.01 0.00 0.00 31.44 29.82 3iss n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3iss h PRO 189 N 2.24 0.44 0.00 3.49 0.11 -1.96 0.10 132.00 136.42 3iss h PRO 189 Ca -0.38 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 3iss h PRO 189 Cb 1.38 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iss h PRO 189 CO 0.63 0.29 -0.14 0.93 -0.21 0.00 0.00 178.00 179.49 3iss h GLU 190 N 0.45 0.00 0.01 1.05 3.07 -1.89 -1.17 114.58 116.11 3iss h GLU 190 Ca 0.56 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.22 3iss h GLU 190 Cb 1.33 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.22 3iss h GLU 190 CO -0.27 0.14 -0.91 0.82 -1.40 0.00 0.00 179.01 177.39 3iss h ILE 191 N 0.00 1.54 -0.19 3.13 2.04 -1.13 -1.28 117.51 121.61 3iss h ILE 191 Ca -0.00 -2.79 -0.03 0.00 1.00 0.00 0.00 64.86 63.04 3iss h ILE 191 Cb 0.36 2.56 -0.01 0.00 -0.74 0.00 0.00 36.82 39.00 3iss h ILE 191 CO 0.02 0.81 0.00 0.58 0.00 0.00 0.00 178.15 179.56 3iss h VAL 192 N 0.07 1.25 -0.73 1.67 2.07 -1.11 -1.71 116.25 117.77 3iss h VAL 192 Ca -0.04 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 3iss h VAL 192 Cb 1.57 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.74 3iss h VAL 192 CO 0.13 0.26 0.44 -0.78 0.02 0.00 0.00 177.57 177.64 3iss h ASP 193 N 0.09 0.87 -0.76 0.57 3.58 -1.17 -0.07 116.42 119.54 3iss h ASP 193 Ca 0.05 -0.06 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 3iss h ASP 193 Cb 0.38 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.18 3iss h ASP 193 CO 0.01 0.68 0.32 0.74 -2.88 0.00 0.00 179.24 178.11 3iss h THR 194 N 0.99 1.25 -0.37 2.25 2.02 -1.21 -1.44 112.91 116.40 3iss h THR 194 Ca 0.26 -0.76 -0.03 0.00 0.77 0.00 0.00 66.41 66.65 3iss h THR 194 Cb -0.03 0.34 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 3iss h THR 194 CO -0.05 0.31 0.10 0.00 0.37 0.00 0.00 175.52 176.26 3iss h ALA 195 N 1.16 0.49 -0.34 6.16 0.00 -0.72 -1.65 119.26 124.35 3iss h ALA 195 Ca 0.25 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3iss h ALA 195 Cb 0.18 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 195 CO -0.02 0.15 0.05 -0.91 0.00 0.00 0.00 179.25 178.52 3iss h ASN 196 N 0.45 0.47 -0.22 0.00 2.35 -0.79 -0.16 115.58 117.69 3iss h ASN 196 Ca 0.12 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3iss h ASN 196 Cb 0.28 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 3iss h ASN 196 CO -0.00 0.50 0.06 0.15 -1.65 0.00 0.00 177.43 176.49 3iss h PHE 197 N 0.50 0.36 -0.68 1.19 3.57 -1.15 -2.26 116.94 118.48 3iss h PHE 197 Ca 0.11 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.61 3iss h PHE 197 Cb 0.25 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 3iss h PHE 197 CO 0.01 0.45 0.41 -0.07 -2.23 0.00 0.00 178.31 176.87 3iss h LEU 198 N 0.17 0.64 -0.83 0.59 3.38 -0.66 -2.09 115.31 116.51 3iss h LEU 198 Ca 0.07 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iss h LEU 198 Cb 0.27 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3iss h LEU 198 CO 0.00 0.43 0.52 0.40 0.09 0.00 0.00 178.44 179.88 3iss h ILE 199 N 0.77 1.23 -0.52 1.22 2.04 -1.01 -1.37 117.51 119.87 3iss h ILE 199 Ca 0.29 -0.46 0.11 0.00 1.00 0.00 0.00 64.86 65.79 3iss h ILE 199 Cb 0.09 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 3iss h ILE 199 CO -0.14 0.23 0.36 0.74 0.00 0.00 0.00 178.15 179.34 3iss h THR 200 N 1.13 0.86 -0.00 -0.27 2.02 -0.76 0.17 112.91 116.06 3iss h THR 200 Ca 0.30 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.39 3iss h THR 200 Cb -0.08 0.58 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 3iss h THR 200 CO -0.06 0.05 -0.08 0.18 0.37 0.00 0.00 175.52 175.98 3iss n LEU 201 N -4.45 0.22 0.00 2.58 4.77 -0.65 -4.87 117.00 114.59 3iss n LEU 201 Ca 0.09 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3iss n LEU 201 Cb 0.42 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3iss n LEU 201 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3iss n GLY 202 N 1.32 1.36 3.88 -0.72 0.00 0.61 -1.14 105.19 110.50 3iss n GLY 202 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3iss n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 203 N -2.00 3.07 -0.35 4.61 0.00 -0.61 -4.93 121.76 121.55 3iss s ALA 203 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.76 3iss s ALA 203 Cb 0.00 -3.01 0.10 0.00 0.00 0.00 0.00 23.12 20.21 3iss s ALA 203 CO 0.00 -0.80 0.08 0.15 0.00 0.00 0.00 175.76 175.19 3iss s LYS 204 N -5.19 1.70 -0.00 0.00 1.02 -1.26 -4.33 119.74 111.68 3iss s LYS 204 Ca 0.55 -1.81 0.03 0.00 0.02 0.00 0.00 55.97 54.76 3iss s LYS 204 Cb -0.11 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3iss s LYS 204 CO 0.52 -0.95 -0.10 0.42 -0.92 0.00 0.00 175.35 174.32 3iss s ILE 205 N 0.99 0.80 0.01 2.17 1.01 -1.26 -1.19 121.20 123.74 3iss s ILE 205 Ca 0.09 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 205 Cb -0.20 -0.69 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 3iss s ILE 205 CO -0.07 0.18 0.10 -0.94 0.00 0.00 0.00 174.94 174.22 3iss s SER 206 N -0.36 0.09 0.00 3.58 1.04 -0.12 -4.90 113.70 113.03 3iss s SER 206 Ca 0.03 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3iss s SER 206 Cb -0.04 0.19 0.00 0.00 0.10 0.00 0.00 66.02 66.27 3iss s SER 206 CO -0.00 -0.39 0.00 0.61 0.98 0.00 0.00 173.24 174.44 3iss n GLY 207 N 1.32 0.63 3.67 7.32 0.00 -1.26 -0.12 105.19 116.74 3iss n GLY 207 Ca -0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 3iss n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLN 208 N -2.00 2.10 -0.07 1.61 0.00 -1.26 -1.18 117.38 116.57 3iss n GLN 208 Ca 0.00 0.75 0.00 0.00 0.00 0.00 0.00 57.00 57.75 3iss n GLN 208 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 30.24 27.77 3iss n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iss n GLY 209 N 2.84 0.85 3.76 2.61 0.00 -1.26 -4.92 105.19 109.07 3iss n GLY 209 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3iss n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iss s THR 210 N -2.38 1.95 -1.16 2.61 -4.23 -0.32 -4.78 115.64 107.33 3iss s THR 210 Ca 0.00 -1.74 0.20 0.00 -1.18 0.00 0.00 61.69 58.97 3iss s THR 210 Cb 0.00 -2.70 0.24 0.00 1.34 0.00 0.00 72.50 71.38 3iss s THR 210 CO 0.00 0.00 1.65 -0.90 -0.54 0.00 0.00 174.62 174.83 3iss n ASP 211 N -1.31 0.00 -4.00 3.99 5.68 -1.26 -4.59 116.55 115.06 3iss n ASP 211 Ca -0.05 0.31 -0.30 0.00 -0.50 0.00 0.00 54.79 54.25 3iss n ASP 211 Cb 0.65 -0.42 -0.16 0.00 -1.14 0.00 0.00 41.12 40.05 3iss n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3iss s ARG 212 N -2.84 2.11 -0.15 0.11 3.52 -1.26 -0.91 118.95 119.53 3iss s ARG 212 Ca 0.13 -0.73 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 3iss s ARG 212 Cb 0.13 -2.29 -0.03 0.00 -1.56 0.00 0.00 34.95 31.21 3iss s ARG 212 CO 0.35 -0.36 -0.05 0.42 -0.81 0.00 0.00 175.30 174.85 3iss s ILE 213 N 1.44 3.77 -0.18 4.11 1.01 -0.68 -4.36 121.20 126.32 3iss s ILE 213 Ca 0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.25 3iss s ILE 213 Cb -0.15 -2.64 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 3iss s ILE 213 CO -0.09 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.55 3iss s VAL 214 N 0.29 2.95 -0.14 2.92 1.01 0.83 -0.99 120.40 127.27 3iss s VAL 214 Ca -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.29 3iss s VAL 214 Cb -0.14 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3iss s VAL 214 CO 0.03 0.49 -0.19 -0.63 0.00 0.00 0.00 175.10 174.80 3iss s ILE 215 N 1.00 2.32 -0.37 2.22 1.09 -0.39 -0.94 121.20 126.13 3iss s ILE 215 Ca -0.01 -0.89 -0.12 0.00 -1.10 0.00 0.00 60.65 58.53 3iss s ILE 215 Cb -0.15 -1.95 0.02 0.00 -1.06 0.00 0.00 42.46 39.32 3iss s ILE 215 CO -0.02 0.54 0.22 -0.70 -0.10 0.00 0.00 174.94 174.88 3iss s GLU 216 N 0.79 2.97 0.37 2.79 2.56 -0.33 -0.47 118.70 127.38 3iss s GLU 216 Ca -0.07 -0.99 -0.28 0.00 0.00 0.00 0.00 54.97 53.63 3iss s GLU 216 Cb -0.16 -3.76 -0.11 0.00 2.00 0.00 0.00 34.13 32.10 3iss s GLU 216 CO -0.01 -0.66 1.41 0.41 -0.56 0.00 0.00 175.26 175.86 3iss n GLY 217 N 5.04 0.97 3.59 -1.50 0.00 -0.12 -4.05 105.19 109.12 3iss n GLY 217 Ca -0.12 0.30 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 3iss n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 218 N -1.12 1.84 -0.05 1.61 -7.23 -0.78 -4.68 120.40 109.99 3iss s VAL 218 Ca 0.55 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.85 3iss s VAL 218 Cb -0.50 -2.95 -0.12 0.00 0.56 0.00 0.00 36.38 33.36 3iss s VAL 218 CO 0.63 0.00 1.06 -0.08 -0.31 0.00 0.00 175.10 176.40 3iss h GLU 219 N 1.82 0.00 -2.47 4.82 4.81 -1.91 -3.39 114.58 118.26 3iss h GLU 219 Ca -0.43 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.76 3iss h GLU 219 Cb 1.24 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 30.47 3iss h GLU 219 CO 0.79 0.57 0.21 -0.98 -0.73 0.00 0.00 179.01 178.86 3iss s ARG 220 N -2.81 1.16 0.07 1.92 1.70 -1.26 -5.03 118.95 114.70 3iss s ARG 220 Ca -0.01 -0.09 0.08 0.00 -0.47 0.00 0.00 55.73 55.24 3iss s ARG 220 Cb 0.09 0.54 -0.04 0.00 -0.57 0.00 0.00 34.95 34.97 3iss s ARG 220 CO 0.80 -0.44 -0.18 -0.51 -1.08 0.00 0.00 175.30 173.89 3iss s LEU 221 N -1.94 2.65 0.00 -1.89 1.43 -1.26 -4.94 118.68 112.73 3iss s LEU 221 Ca -0.05 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 3iss s LEU 221 Cb -0.00 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3iss s LEU 221 CO -0.01 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3iss n GLY 222 N 1.21 1.81 0.00 -3.19 0.00 -0.29 -1.40 105.19 103.33 3iss n GLY 222 Ca -0.16 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.13 3iss n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 223 N 5.00 6.35 0.00 -0.02 0.00 -1.25 -3.37 105.19 111.90 3iss n GLY 223 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.03 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 4.15 -0.15 3.07 -0.02 0.00 -1.04 -4.53 105.19 106.67 3iss n GLY 224 Ca 0.00 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.24 3iss n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 225 N -2.64 1.21 -0.07 1.61 1.01 -1.26 -0.97 120.40 119.28 3iss s VAL 225 Ca 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 3iss s VAL 225 Cb 0.00 -1.06 0.03 0.00 0.00 0.00 0.00 36.38 35.34 3iss s VAL 225 CO 0.00 0.36 0.18 -0.47 0.00 0.00 0.00 175.10 175.17 3iss s TYR 226 N 0.29 -0.21 -0.22 5.22 5.04 -0.72 -5.00 117.35 121.75 3iss s TYR 226 Ca -0.08 0.52 -0.10 0.00 -2.44 0.00 0.00 57.07 54.97 3iss s TYR 226 Cb -0.12 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.16 3iss s TYR 226 CO 0.02 -0.13 0.15 0.50 -1.34 0.00 0.00 175.55 174.75 3iss s ARG 227 N 0.55 4.12 0.28 4.97 3.52 -1.26 -0.48 118.95 130.66 3iss s ARG 227 Ca -0.04 -0.25 -0.29 0.00 -0.13 0.00 0.00 55.73 55.02 3iss s ARG 227 Cb -0.05 -3.49 -0.10 0.00 -1.56 0.00 0.00 34.95 29.75 3iss s ARG 227 CO -0.03 0.16 1.11 0.08 -0.81 0.00 0.00 175.30 175.81 3iss s VAL 228 N 0.77 3.46 0.93 7.11 1.01 -0.93 -4.95 120.40 127.80 3iss s VAL 228 Ca 0.08 1.47 -0.12 0.00 0.00 0.00 0.00 61.98 63.41 3iss s VAL 228 Cb -0.12 -3.94 0.15 0.00 0.00 0.00 0.00 36.38 32.47 3iss s VAL 228 CO 0.02 0.35 1.09 -1.48 0.00 0.00 0.00 175.10 175.08 3iss s LEU 229 N -1.45 2.13 0.66 3.92 2.34 -1.26 -4.68 118.68 120.34 3iss s LEU 229 Ca 0.45 1.56 -0.16 0.00 0.06 0.00 0.00 54.13 56.04 3iss s LEU 229 Cb -0.32 -3.91 -0.00 0.00 -0.56 0.00 0.00 46.19 41.40 3iss s LEU 229 CO 0.41 -2.89 1.15 -2.84 -1.06 0.00 0.00 176.35 171.12 3iss s PRO 230 N -4.84 2.71 -0.45 1.48 0.02 -1.26 -0.17 135.00 132.49 3iss s PRO 230 Ca 0.64 1.57 -0.26 0.00 0.02 0.00 0.00 61.00 62.97 3iss s PRO 230 Cb -0.19 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.43 3iss s PRO 230 CO 0.58 -1.35 0.95 0.34 -0.33 0.00 0.00 177.00 177.19 3iss s ASP 231 N -2.22 6.54 0.31 2.53 -1.08 -0.75 -4.27 116.67 117.73 3iss s ASP 231 Ca 0.71 0.23 0.08 0.00 -0.52 0.00 0.00 52.55 53.05 3iss s ASP 231 Cb -0.24 -2.46 0.49 0.00 -1.46 0.00 0.00 42.92 39.25 3iss s ASP 231 CO 0.40 -1.04 1.71 0.08 0.52 0.00 0.00 175.17 176.84 3iss h ARG 232 N 8.99 0.16 -0.35 4.34 0.11 -1.93 -1.93 114.38 123.78 3iss h ARG 232 Ca -0.24 -0.08 -0.15 0.00 0.10 0.00 0.00 59.98 59.61 3iss h ARG 232 Cb 1.07 -0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.15 3iss h ARG 232 CO 1.03 0.57 -0.37 0.82 0.10 0.00 0.00 179.97 182.12 3iss h ILE 233 N 0.14 1.28 -0.46 0.08 1.08 -1.95 0.39 117.51 118.07 3iss h ILE 233 Ca 0.01 -1.55 -0.04 0.00 -0.39 0.00 0.00 64.86 62.89 3iss h ILE 233 Cb 0.82 1.47 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 3iss h ILE 233 CO 0.06 0.51 0.12 -0.08 -0.69 0.00 0.00 178.15 178.08 3iss h GLU 234 N 0.66 0.73 -0.21 2.37 4.81 -1.92 -1.09 114.58 119.93 3iss h GLU 234 Ca 0.05 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3iss h GLU 234 Cb 0.96 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 3iss h GLU 234 CO 0.09 0.72 -0.07 1.15 -0.73 0.00 0.00 179.01 180.17 3iss h THR 235 N 0.62 0.76 -0.83 0.32 2.02 -1.23 -2.03 112.91 112.53 3iss h THR 235 Ca 0.15 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.36 3iss h THR 235 Cb 0.31 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3iss h THR 235 CO -0.00 0.00 0.54 1.23 0.37 0.00 0.00 175.52 177.66 3iss h GLY 236 N -0.02 1.21 1.02 2.16 0.00 -0.74 -2.04 103.07 104.66 3iss h GLY 236 Ca 0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.01 3iss h GLY 236 CO -0.23 0.36 0.46 -0.84 0.00 0.00 0.00 176.54 176.29 3iss h THR 237 N 1.05 1.25 -0.03 4.70 2.02 -0.51 -0.51 112.91 120.88 3iss h THR 237 Ca 0.33 -0.61 -0.23 0.00 0.77 0.00 0.00 66.41 66.66 3iss h THR 237 Cb -0.01 0.11 0.01 0.00 -1.74 0.00 0.00 68.15 66.52 3iss h THR 237 CO -0.11 0.28 -0.93 -0.26 0.37 0.00 0.00 175.52 174.87 3iss h PHE 238 N 1.18 0.80 -0.85 3.16 0.04 -1.22 -1.08 116.94 118.97 3iss h PHE 238 Ca 0.30 -0.41 0.05 0.00 2.80 0.00 0.00 57.97 60.71 3iss h PHE 238 Cb 0.03 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.02 3iss h PHE 238 CO 0.01 1.23 0.53 -0.07 -0.60 0.00 0.00 178.31 179.41 3iss h LEU 239 N 0.33 0.84 -0.66 1.54 3.38 -1.04 -1.64 115.31 118.06 3iss h LEU 239 Ca -0.09 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 3iss h LEU 239 Cb 1.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 42.14 3iss h LEU 239 CO 0.17 0.55 -0.27 0.58 0.09 0.00 0.00 178.44 179.56 3iss h VAL 240 N 0.98 1.28 -0.68 1.22 2.07 -0.99 -1.86 116.25 118.27 3iss h VAL 240 Ca 0.36 -1.40 0.10 0.00 0.82 0.00 0.00 66.70 66.58 3iss h VAL 240 Cb 0.13 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.13 3iss h VAL 240 CO -0.16 0.46 0.30 0.00 0.02 0.00 0.00 177.57 178.20 3iss h ALA 241 N 1.05 0.92 -0.08 1.67 0.00 -0.33 -1.27 119.26 121.22 3iss h ALA 241 Ca 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3iss h ALA 241 Cb 0.79 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3iss h ALA 241 CO 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 179.25 179.13 3iss h ALA 242 N 1.44 0.12 -0.20 0.00 0.00 -1.15 -3.06 119.26 116.41 3iss h ALA 242 Ca 0.34 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iss h ALA 242 Cb 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iss h ALA 242 CO -0.29 -0.08 0.14 0.00 0.00 0.00 0.00 179.25 179.01 3iss h ALA 243 N 0.59 2.00 0.00 0.00 0.00 -0.74 -0.93 119.26 120.17 3iss h ALA 243 Ca 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3iss h ALA 243 Cb 0.56 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iss h ALA 243 CO 0.02 -0.03 -0.85 -0.84 0.00 0.00 0.00 179.25 177.55 3iss h ILE 244 N 0.15 0.10 -0.55 0.00 3.07 -1.30 -3.32 117.51 115.66 3iss h ILE 244 Ca 0.08 -1.18 0.00 0.00 1.55 0.00 0.00 64.86 65.31 3iss h ILE 244 Cb 0.15 1.70 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3iss h ILE 244 CO -0.01 0.06 0.00 -1.54 -1.05 0.00 0.00 178.15 175.61 3iss n SER 245 N -2.81 3.37 -2.96 2.16 3.41 -0.85 -4.93 113.62 111.01 3iss n SER 245 Ca -0.00 -1.98 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 3iss n SER 245 Cb 0.59 -0.36 0.04 0.00 -0.26 0.00 0.00 64.21 64.22 3iss n SER 245 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3iss n ARG 246 N 1.37 -5.17 -0.21 4.33 1.74 -0.95 -4.52 116.66 113.24 3iss n ARG 246 Ca 0.21 0.86 0.00 0.00 -0.77 0.00 0.00 57.85 58.14 3iss n ARG 246 Cb 0.55 -5.65 0.00 0.00 -1.02 0.00 0.00 32.46 26.34 3iss n ARG 246 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3iss n GLY 247 N -1.57 3.59 3.17 -0.13 0.00 -0.41 -4.08 105.19 105.76 3iss n GLY 247 Ca -0.09 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.75 3iss n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s LYS 248 N 1.67 0.55 -0.03 1.61 -2.85 -1.24 -2.15 119.74 117.30 3iss s LYS 248 Ca 0.00 -0.24 -0.22 0.00 -1.00 0.00 0.00 55.97 54.51 3iss s LYS 248 Cb 0.00 0.24 0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3iss s LYS 248 CO 0.00 -0.14 0.47 -1.50 0.10 0.00 0.00 175.35 174.28 3iss s ILE 249 N -1.23 0.03 -0.09 3.79 2.07 -0.39 -2.29 121.20 123.09 3iss s ILE 249 Ca -0.13 -0.26 0.04 0.00 -1.41 0.00 0.00 60.65 58.88 3iss s ILE 249 Cb -0.06 -0.78 0.00 0.00 0.13 0.00 0.00 42.46 41.75 3iss s ILE 249 CO 0.03 -0.14 -0.21 -0.63 -1.91 0.00 0.00 174.94 172.07 3iss s ILE 250 N -1.26 1.84 -0.22 2.00 -1.09 -0.72 -1.37 121.20 120.39 3iss s ILE 250 Ca -0.12 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.32 3iss s ILE 250 Cb -0.03 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3iss s ILE 250 CO 0.07 0.51 0.09 0.00 -1.23 0.00 0.00 174.94 174.37 3iss s ARG 252 N 1.01 3.02 -1.13 0.00 1.81 0.55 -2.02 118.95 122.19 3iss s ARG 252 Ca 0.05 -0.69 -0.03 0.00 -1.72 0.00 0.00 55.73 53.33 3iss s ARG 252 Cb -0.14 -2.77 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 3iss s ARG 252 CO 0.03 0.55 0.96 0.09 -0.68 0.00 0.00 175.30 176.25 3iss n ASN 253 N 0.12 -3.56 -4.92 0.23 4.13 -0.87 -0.35 115.26 110.05 3iss n ASN 253 Ca -0.08 -0.53 -0.20 0.00 1.68 0.00 0.00 54.58 55.46 3iss n ASN 253 Cb 0.53 -4.63 -0.02 0.00 -1.54 0.00 0.00 39.78 34.12 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iss s ALA 254 N -3.31 4.17 -0.42 5.41 0.00 -0.61 -4.45 121.76 122.54 3iss s ALA 254 Ca 0.21 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.44 3iss s ALA 254 Cb -0.09 -1.28 0.15 0.00 0.00 0.00 0.00 23.12 21.90 3iss s ALA 254 CO 0.66 -0.18 0.27 -1.14 0.00 0.00 0.00 175.76 175.36 3iss s GLN 255 N -4.17 1.05 0.35 0.00 0.74 -1.26 -4.30 119.66 112.07 3iss s GLN 255 Ca 0.48 -1.89 0.11 0.00 0.05 0.00 0.00 55.36 54.11 3iss s GLN 255 Cb -0.06 -1.89 0.87 0.00 1.10 0.00 0.00 33.01 33.03 3iss s GLN 255 CO 0.29 -1.23 1.82 -1.35 -0.55 0.00 0.00 175.29 174.28 3iss h PRO 256 N 6.53 0.61 0.00 1.67 0.11 -1.87 -1.67 132.00 137.38 3iss h PRO 256 Ca 0.08 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3iss h PRO 256 Cb 0.93 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.90 3iss h PRO 256 CO 0.40 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3iss n ASP 257 N -4.63 0.00 0.00 -2.05 5.68 -1.26 -1.08 116.55 113.22 3iss n ASP 257 Ca 0.21 0.02 0.11 0.00 -0.50 0.00 0.00 54.79 54.63 3iss n ASP 257 Cb 0.60 -0.14 0.11 0.00 -1.14 0.00 0.00 41.12 40.55 3iss n ASP 257 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 3iss n THR 258 N -1.14 0.01 -1.85 2.12 -1.04 -0.63 -4.42 114.28 107.33 3iss n THR 258 Ca 0.03 -0.01 0.05 0.00 -2.04 0.00 0.00 64.05 62.08 3iss n THR 258 Cb 0.03 0.50 0.11 0.00 -1.82 0.00 0.00 70.33 69.15 3iss n THR 258 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iss n LEU 259 N -1.53 1.74 -0.04 -4.42 4.77 -0.24 -4.90 117.00 112.39 3iss n LEU 259 Ca 0.05 -2.78 -0.11 0.00 -0.03 0.00 0.00 56.01 53.14 3iss n LEU 259 Cb 0.34 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.11 3iss n LEU 259 CO 0.38 0.85 0.61 0.44 -1.33 0.00 0.00 177.39 178.34 3iss h ASP 260 N 0.70 -1.23 -0.70 -1.43 3.32 -1.77 -0.99 116.42 114.32 3iss h ASP 260 Ca -0.07 0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3iss h ASP 260 Cb 1.34 0.52 -0.04 0.00 0.22 0.00 0.00 39.33 41.37 3iss h ASP 260 CO 0.03 -0.38 0.44 0.00 -1.72 0.00 0.00 179.24 177.61 3iss h ALA 261 N 0.35 0.91 -0.48 3.45 0.00 -1.90 -1.40 119.26 120.19 3iss h ALA 261 Ca 0.11 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iss h ALA 261 Cb 0.59 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iss h ALA 261 CO -0.44 0.22 0.08 0.28 0.00 0.00 0.00 179.25 179.39 3iss h VAL 262 N 0.87 1.25 -0.55 0.00 2.07 -1.78 -2.30 116.25 115.80 3iss h VAL 262 Ca 0.28 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.76 3iss h VAL 262 Cb 0.01 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3iss h VAL 262 CO -0.10 0.33 -0.10 -0.07 0.02 0.00 0.00 177.57 177.64 3iss h LEU 263 N 0.67 1.04 -0.94 2.57 3.38 -1.00 -1.71 115.31 119.32 3iss h LEU 263 Ca 0.15 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 263 Cb 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 3iss h LEU 263 CO 0.01 1.14 0.49 0.00 0.09 0.00 0.00 178.44 180.17 3iss h ALA 264 N 0.94 1.19 -0.18 1.53 0.00 -1.16 -1.60 119.26 119.98 3iss h ALA 264 Ca 0.15 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3iss h ALA 264 Cb 0.67 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iss h ALA 264 CO 0.05 0.65 -0.53 -0.22 0.00 0.00 0.00 179.25 179.20 3iss h LYS 265 N 1.24 0.54 -0.55 0.00 1.63 -1.17 -2.46 116.57 115.80 3iss h LYS 265 Ca 0.31 -0.33 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 3iss h LYS 265 Cb 0.02 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.66 3iss h LYS 265 CO -0.05 0.93 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.78 3iss h LEU 266 N 0.42 0.96 -0.47 5.20 3.38 -0.91 -1.60 115.31 122.29 3iss h LEU 266 Ca 0.01 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.72 3iss h LEU 266 Cb 1.07 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3iss h LEU 266 CO 0.10 1.03 0.29 0.03 0.09 0.00 0.00 178.44 179.98 3iss h ARG 267 N 0.89 0.57 -0.13 1.13 3.08 -1.18 -1.38 114.38 117.35 3iss h ARG 267 Ca 0.16 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.21 3iss h ARG 267 Cb 0.56 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3iss h ARG 267 CO 0.03 0.38 0.10 -0.44 -1.07 0.00 0.00 179.97 178.97 3iss h ASP 268 N 0.59 0.00 0.71 7.04 3.32 -1.10 0.28 116.42 127.26 3iss h ASP 268 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3iss h ASP 268 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3iss h ASP 268 CO -0.07 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.45 3iss n ALA 269 N -2.56 2.28 0.00 3.45 0.00 -0.63 -4.71 120.51 118.35 3iss n ALA 269 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3iss n ALA 269 Cb 0.22 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3iss n ALA 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iss n GLY 270 N 1.13 1.17 3.85 0.00 0.00 0.99 0.66 105.19 112.99 3iss n GLY 270 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3iss n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 271 N -2.00 3.25 -0.41 4.61 0.00 -0.57 -4.88 121.76 121.75 3iss s ALA 271 Ca 0.00 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.92 3iss s ALA 271 Cb 0.00 -2.87 0.04 0.00 0.00 0.00 0.00 23.12 20.29 3iss s ALA 271 CO 0.00 0.18 0.27 0.34 0.00 0.00 0.00 175.76 176.56 3iss s ASP 272 N -2.47 5.92 -0.09 0.00 2.15 -0.32 -4.40 116.67 117.46 3iss s ASP 272 Ca 0.56 -1.07 0.04 0.00 0.43 0.00 0.00 52.55 52.51 3iss s ASP 272 Cb -0.10 -2.09 -0.00 0.00 -0.30 0.00 0.00 42.92 40.43 3iss s ASP 272 CO 0.20 -0.47 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.87 3iss s ILE 273 N 1.60 1.98 0.10 4.11 1.01 -1.26 -0.89 121.20 127.85 3iss s ILE 273 Ca 0.03 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.78 3iss s ILE 273 Cb -0.20 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.53 3iss s ILE 273 CO 0.07 0.54 -0.20 -1.61 0.00 0.00 0.00 174.94 173.75 3iss s GLU 274 N 0.25 1.10 0.00 2.79 2.02 -0.67 -4.99 118.70 119.20 3iss s GLU 274 Ca -0.15 -1.16 0.05 0.00 0.02 0.00 0.00 54.97 53.73 3iss s GLU 274 Cb -0.17 -1.31 -0.02 0.00 0.10 0.00 0.00 34.13 32.74 3iss s GLU 274 CO 0.07 0.30 -0.16 0.14 0.02 0.00 0.00 175.26 175.63 3iss s VAL 275 N -1.27 1.30 0.00 2.63 -7.23 -1.26 -0.16 120.40 114.40 3iss s VAL 275 Ca 0.06 -0.80 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 3iss s VAL 275 Cb -0.10 -1.10 0.00 0.00 0.56 0.00 0.00 36.38 35.74 3iss s VAL 275 CO 0.04 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3iss n GLY 276 N 2.46 3.12 0.15 2.32 0.00 -0.39 -4.99 105.19 107.86 3iss n GLY 276 Ca -0.15 -1.97 0.09 0.00 0.00 0.00 0.00 46.02 43.99 3iss n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iss h GLU 277 N 0.00 0.00 -0.01 1.61 4.81 -2.01 -3.38 114.58 115.60 3iss h GLU 277 Ca 0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3iss h GLU 277 Cb 0.00 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 29.08 3iss h GLU 277 CO 0.00 0.09 -0.77 -0.40 -0.73 0.00 0.00 179.01 177.20 3iss n ASP 278 N -2.89 0.29 -3.87 1.04 5.75 -1.26 -4.71 116.55 110.91 3iss n ASP 278 Ca 0.00 -2.00 -0.09 0.00 -0.01 0.00 0.00 54.79 52.68 3iss n ASP 278 Cb 0.60 -0.09 -0.08 0.00 -1.03 0.00 0.00 41.12 40.53 3iss n ASP 278 CO 0.00 0.00 0.00 -1.66 -0.11 0.00 0.00 177.20 175.43 3iss s TRP 279 N -0.08 0.13 -0.02 2.11 1.48 -1.26 -1.58 118.94 119.72 3iss s TRP 279 Ca 0.22 -0.47 0.02 0.00 -1.06 0.00 0.00 56.10 54.81 3iss s TRP 279 Cb 0.25 -0.07 0.00 0.00 -1.16 0.00 0.00 33.47 32.50 3iss s TRP 279 CO -0.11 -0.47 -0.08 0.42 -4.06 0.00 0.00 176.95 172.65 3iss s ILE 280 N -3.18 0.71 0.05 0.66 1.01 -0.86 -1.26 121.20 118.32 3iss s ILE 280 Ca -0.00 -0.32 0.08 0.00 0.00 0.00 0.00 60.65 60.41 3iss s ILE 280 Cb 0.02 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.82 3iss s ILE 280 CO -0.07 0.23 -0.20 -0.94 0.00 0.00 0.00 174.94 173.95 3iss s SER 281 N 0.23 3.64 -0.03 3.58 1.04 0.77 -0.43 113.70 122.50 3iss s SER 281 Ca -0.03 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.91 3iss s SER 281 Cb -0.08 -0.52 0.03 0.00 0.10 0.00 0.00 66.02 65.55 3iss s SER 281 CO 0.00 0.25 0.00 -0.22 0.98 0.00 0.00 173.24 174.26 3iss s LEU 282 N -1.45 1.12 -0.07 2.42 0.20 -0.47 -1.67 118.68 118.75 3iss s LEU 282 Ca 0.14 -0.02 0.01 0.00 0.69 0.00 0.00 54.13 54.95 3iss s LEU 282 Cb -0.10 -0.22 0.02 0.00 -0.43 0.00 0.00 46.19 45.46 3iss s LEU 282 CO 0.05 -0.11 -0.09 -0.62 -0.29 0.00 0.00 176.35 175.29 3iss s ASP 283 N 1.08 1.63 0.00 3.68 -1.08 -0.07 -1.26 116.67 120.65 3iss s ASP 283 Ca -0.09 -0.24 0.25 0.00 -0.52 0.00 0.00 52.55 51.95 3iss s ASP 283 Cb -0.13 -0.71 0.58 0.00 -1.46 0.00 0.00 42.92 41.19 3iss s ASP 283 CO -0.02 -0.03 1.46 0.23 0.52 0.00 0.00 175.17 177.33 3iss n MET 284 N 4.18 0.19 -4.05 4.34 2.81 -0.91 -1.18 117.12 122.49 3iss n MET 284 Ca -0.20 -0.11 -0.28 0.00 -1.81 0.00 0.00 57.70 55.30 3iss n MET 284 Cb 0.51 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.49 3iss n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iss n HIS 285 N -1.31 -1.63 -0.70 2.03 8.25 -1.26 -0.96 115.22 119.65 3iss n HIS 285 Ca 0.07 0.74 0.00 0.00 -0.26 0.00 0.00 57.72 58.27 3iss n HIS 285 Cb 0.34 -3.48 0.00 0.00 1.12 0.00 0.00 29.99 27.97 3iss n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iss n GLY 286 N -1.93 0.48 3.81 -1.41 0.00 -1.26 -4.97 105.19 99.90 3iss n GLY 286 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3iss n GLY 286 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iss s LYS 287 N -0.54 4.33 0.16 1.61 -0.14 -0.13 -4.95 119.74 120.07 3iss s LYS 287 Ca 0.00 1.12 -0.29 0.00 -1.36 0.00 0.00 55.97 55.45 3iss s LYS 287 Cb 0.00 -2.47 -0.07 0.00 -1.68 0.00 0.00 37.83 33.61 3iss s LYS 287 CO 0.00 0.13 0.90 0.50 -0.76 0.00 0.00 175.35 176.12 3iss s ARG 288 N -2.68 4.71 0.60 1.68 3.52 -1.26 -4.52 118.95 120.99 3iss s ARG 288 Ca 0.56 1.37 -0.19 0.00 -0.13 0.00 0.00 55.73 57.34 3iss s ARG 288 Cb -0.13 -3.32 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 3iss s ARG 288 CO 0.18 0.39 1.21 -1.25 -0.81 0.00 0.00 175.30 175.02 3iss s PRO 289 N -0.60 2.92 -0.02 5.12 0.04 -1.26 -4.81 135.00 136.38 3iss s PRO 289 Ca 0.42 1.84 -0.14 0.00 0.04 0.00 0.00 61.00 63.16 3iss s PRO 289 Cb -0.24 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3iss s PRO 289 CO 0.29 -1.25 0.37 0.15 0.04 0.00 0.00 177.00 176.60 3iss s LYS 290 N -3.35 3.87 0.41 4.56 -0.14 0.21 -0.97 119.74 124.32 3iss s LYS 290 Ca 0.78 0.34 -0.25 0.00 -1.36 0.00 0.00 55.97 55.48 3iss s LYS 290 Cb -0.31 -3.22 -0.11 0.00 -1.68 0.00 0.00 37.83 32.51 3iss s LYS 290 CO 0.34 0.69 1.05 0.00 -0.76 0.00 0.00 175.35 176.67 3iss n ALA 291 N 1.91 0.34 -2.36 5.17 0.00 -0.70 -4.29 120.51 120.57 3iss n ALA 291 Ca -0.15 0.25 -0.18 0.00 0.00 0.00 0.00 53.44 53.36 3iss n ALA 291 Cb 0.53 -2.11 -0.10 0.00 0.00 0.00 0.00 19.45 17.77 3iss n ALA 291 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3iss s VAL 292 N -1.24 1.29 -0.11 0.00 -7.23 -1.26 -4.83 120.40 107.01 3iss s VAL 292 Ca 0.62 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3iss s VAL 292 Cb -0.56 -2.33 -0.02 0.00 0.56 0.00 0.00 36.38 34.03 3iss s VAL 292 CO 0.57 -0.36 -0.13 0.20 -0.31 0.00 0.00 175.10 175.07 3iss s ASN 293 N -3.34 4.05 0.02 4.85 0.02 -1.26 -3.51 114.94 115.77 3iss s ASN 293 Ca 0.27 -0.29 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 3iss s ASN 293 Cb 0.04 -1.46 -0.01 0.00 0.02 0.00 0.00 41.25 39.84 3iss s ASN 293 CO 0.09 0.20 -0.11 -0.69 0.02 0.00 0.00 177.10 176.62 3iss s VAL 294 N 0.12 0.82 -0.16 1.60 1.01 -0.47 -4.99 120.40 118.33 3iss s VAL 294 Ca -0.06 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3iss s VAL 294 Cb -0.15 -0.74 0.04 0.00 0.00 0.00 0.00 36.38 35.53 3iss s VAL 294 CO 0.05 0.04 -0.05 -0.60 0.00 0.00 0.00 175.10 174.54 3iss s ARG 295 N -0.75 1.38 0.46 2.72 3.52 -1.26 -0.35 118.95 124.66 3iss s ARG 295 Ca 0.01 -0.45 -0.22 0.00 -0.13 0.00 0.00 55.73 54.93 3iss s ARG 295 Cb -0.06 -1.91 -0.08 0.00 -1.56 0.00 0.00 34.95 31.34 3iss s ARG 295 CO 0.00 -0.41 1.11 0.95 -0.81 0.00 0.00 175.30 176.14 3iss s THR 296 N 1.67 3.38 0.09 4.11 -4.23 0.02 -4.37 115.64 116.30 3iss s THR 296 Ca 0.01 0.98 -0.27 0.00 -1.18 0.00 0.00 61.69 61.24 3iss s THR 296 Cb -0.15 -3.47 0.08 0.00 1.34 0.00 0.00 72.50 70.30 3iss s THR 296 CO -0.08 -0.07 1.04 0.00 -0.54 0.00 0.00 174.62 174.98 3iss s ALA 297 N -1.68 -1.82 0.70 3.99 0.00 -0.56 -3.60 121.76 118.79 3iss s ALA 297 Ca 0.64 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 3iss s ALA 297 Cb -0.24 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.42 3iss s ALA 297 CO 0.29 -1.00 1.18 -2.30 0.00 0.00 0.00 175.76 173.93 3iss n PRO 298 N -0.44 0.73 -1.59 0.00 -0.02 -1.26 -4.36 135.00 128.06 3iss n PRO 298 Ca -0.07 0.31 -0.44 0.00 -2.02 0.00 0.00 63.50 61.29 3iss n PRO 298 Cb 0.61 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3iss n PRO 298 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3iss n HIS 299 N -2.39 1.15 -0.77 6.00 -0.00 -1.26 -1.90 115.22 116.05 3iss n HIS 299 Ca 0.15 0.67 -0.04 0.00 0.46 0.00 0.00 57.72 58.96 3iss n HIS 299 Cb 0.49 -2.23 0.29 0.00 -0.12 0.00 0.00 29.99 28.41 3iss n HIS 299 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 3iss n PRO 300 N 0.59 3.60 -1.29 1.57 -0.04 -1.26 -4.52 135.00 133.64 3iss n PRO 300 Ca 0.10 -2.72 -0.30 0.00 -0.04 0.00 0.00 63.50 60.54 3iss n PRO 300 Cb 0.34 -2.13 0.21 0.00 -0.04 0.00 0.00 33.50 31.88 3iss n PRO 300 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iss s ALA 301 N -2.67 1.06 0.20 0.55 0.00 -0.80 -4.38 121.76 115.73 3iss s ALA 301 Ca 0.49 -0.86 -0.32 0.00 0.00 0.00 0.00 51.96 51.27 3iss s ALA 301 Cb 0.39 -2.92 -0.11 0.00 0.00 0.00 0.00 23.12 20.48 3iss s ALA 301 CO 0.12 -3.14 1.66 0.12 0.00 0.00 0.00 175.76 174.52 3iss s PHE 302 N -3.19 2.94 0.12 0.00 2.19 -1.26 -4.77 117.98 114.02 3iss s PHE 302 Ca 0.70 0.49 -0.25 0.00 0.33 0.00 0.00 56.93 58.20 3iss s PHE 302 Cb -0.11 -4.06 -0.07 0.00 -1.31 0.00 0.00 43.02 37.47 3iss s PHE 302 CO 0.55 -3.93 0.76 -1.25 1.83 0.00 0.00 175.22 173.18 3iss s PRO 303 N 0.95 4.52 0.45 10.12 0.05 -1.26 -1.50 135.00 148.33 3iss s PRO 303 Ca 0.72 1.10 0.15 0.00 0.05 0.00 0.00 61.00 63.02 3iss s PRO 303 Cb -0.48 -3.29 1.07 0.00 0.05 0.00 0.00 34.50 31.85 3iss s PRO 303 CO 0.34 0.48 2.00 0.00 0.05 0.00 0.00 177.00 179.87 3iss h THR 304 N 3.59 0.91 0.00 1.26 1.03 -1.93 -1.41 112.91 116.36 3iss h THR 304 Ca -0.46 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.82 3iss h THR 304 Cb 1.21 0.52 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 3iss h THR 304 CO 0.67 0.06 0.00 0.47 -0.01 0.00 0.00 175.52 176.72 3iss n ASP 305 N -4.47 0.00 -0.34 0.00 8.00 -1.26 -1.26 116.55 117.22 3iss n ASP 305 Ca 0.08 0.08 0.04 0.00 0.71 0.00 0.00 54.79 55.71 3iss n ASP 305 Cb 0.35 -0.25 0.04 0.00 -0.02 0.00 0.00 41.12 41.24 3iss n ASP 305 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3iss n MET 306 N -1.25 0.20 -0.14 -1.24 2.81 -0.53 -4.78 117.12 112.19 3iss n MET 306 Ca 0.05 -1.01 -0.10 0.00 -1.81 0.00 0.00 57.70 54.83 3iss n MET 306 Cb 0.07 -1.16 -0.01 0.00 -0.71 0.00 0.00 33.22 31.41 3iss n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3iss h GLN 307 N 1.66 0.69 -0.46 0.03 -0.00 -1.20 -2.51 115.11 113.32 3iss h GLN 307 Ca 0.00 -0.20 -0.09 0.00 -0.00 0.00 0.00 58.65 58.36 3iss h GLN 307 Cb 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 3iss h GLN 307 CO 0.00 0.75 -0.08 0.00 0.00 0.00 0.00 178.83 179.50 3iss h ALA 308 N 0.92 1.01 -0.75 3.38 0.00 -1.86 -0.90 119.26 121.05 3iss h ALA 308 Ca 0.12 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3iss h ALA 308 Cb 0.40 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3iss h ALA 308 CO 0.01 0.60 0.27 1.96 0.00 0.00 0.00 179.25 182.09 3iss h GLN 309 N 0.73 1.15 0.00 0.00 7.50 -1.80 -2.06 115.11 120.64 3iss h GLN 309 Ca 0.13 -0.23 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 3iss h GLN 309 Cb 0.56 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.90 3iss h GLN 309 CO 0.03 0.96 -0.22 0.74 -1.50 0.00 0.00 178.83 178.84 3iss h PHE 310 N 1.10 0.00 -0.53 2.96 -1.00 -1.16 -1.83 116.94 116.48 3iss h PHE 310 Ca 0.25 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.97 3iss h PHE 310 Cb 0.26 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.80 3iss h PHE 310 CO 0.02 0.22 0.11 1.15 -1.61 0.00 0.00 178.31 178.20 3iss h THR 311 N 0.00 1.25 -0.15 -1.55 2.02 -0.76 -1.46 112.91 112.26 3iss h THR 311 Ca -0.00 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 3iss h THR 311 Cb 1.02 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 3iss h THR 311 CO 0.03 0.33 0.06 0.25 0.37 0.00 0.00 175.52 176.55 3iss h LEU 312 N 0.76 0.21 -0.29 2.58 5.85 -0.96 -1.51 115.31 121.96 3iss h LEU 312 Ca 0.16 -0.18 0.06 0.00 0.84 0.00 0.00 57.88 58.77 3iss h LEU 312 Cb 0.37 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 3iss h LEU 312 CO 0.01 0.33 -0.39 0.25 -0.34 0.00 0.00 178.44 178.30 3iss h LEU 313 N 0.08 -1.27 -1.67 2.25 6.46 -1.27 -0.64 115.31 119.26 3iss h LEU 313 Ca 0.05 0.19 0.11 0.00 -0.12 0.00 0.00 57.88 58.11 3iss h LEU 313 Cb 0.19 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 3iss h LEU 313 CO -0.00 -0.37 0.41 0.78 -0.62 0.00 0.00 178.44 178.63 3iss h ASN 314 N -0.37 0.33 1.07 1.25 2.35 -1.08 -2.07 115.58 117.06 3iss h ASN 314 Ca 0.12 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3iss h ASN 314 Cb 0.58 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3iss h ASN 314 CO -0.49 0.19 0.00 0.18 -1.65 0.00 0.00 177.43 175.67 3iss n LEU 315 N -4.46 0.76 -0.06 1.61 4.77 -0.27 -2.34 117.00 117.00 3iss n LEU 315 Ca 0.10 0.63 0.05 0.00 -0.03 0.00 0.00 56.01 56.77 3iss n LEU 315 Cb 0.41 -0.46 0.08 0.00 -2.33 0.00 0.00 43.42 41.12 3iss n LEU 315 CO 0.34 -0.40 0.54 1.33 -1.33 0.00 0.00 177.39 177.87 3iss n VAL 316 N -2.28 1.49 -2.82 4.08 0.24 -0.88 -1.12 118.33 117.04 3iss n VAL 316 Ca 0.04 -1.68 -0.20 0.00 -2.04 0.00 0.00 64.34 60.46 3iss n VAL 316 Cb 0.32 0.10 0.04 0.00 -1.47 0.00 0.00 33.84 32.83 3iss n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iss s ALA 317 N -2.02 4.21 -0.42 2.33 0.00 -0.83 -4.71 121.76 120.32 3iss s ALA 317 Ca 0.18 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 50.27 3iss s ALA 317 Cb 0.15 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.47 3iss s ALA 317 CO 0.02 -0.68 0.97 -2.00 0.00 0.00 0.00 175.76 174.07 3iss s GLU 318 N -4.65 3.71 0.00 0.00 2.12 -0.15 -3.95 118.70 115.79 3iss s GLU 318 Ca 0.58 0.43 0.00 0.00 0.36 0.00 0.00 54.97 56.35 3iss s GLU 318 Cb -0.09 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.43 3iss s GLU 318 CO 0.37 -1.13 0.00 0.41 -0.54 0.00 0.00 175.26 174.38 3iss n GLY 319 N 4.65 -1.11 3.39 -1.50 0.00 -1.26 -1.72 105.19 107.64 3iss n GLY 319 Ca 0.08 -2.12 -0.32 0.00 0.00 0.00 0.00 46.02 43.66 3iss n GLY 319 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 320 N 0.00 2.82 -0.01 2.61 2.01 -1.26 -1.72 115.64 120.09 3iss s THR 320 Ca 0.00 -0.79 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 3iss s THR 320 Cb 0.00 -2.11 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 3iss s THR 320 CO 0.00 0.56 0.08 -0.83 -0.69 0.00 0.00 174.62 173.75 3iss s GLY 321 N -0.23 0.05 0.17 4.40 0.00 -0.66 -4.74 107.32 106.31 3iss s GLY 321 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 44.72 44.73 3iss s GLY 321 CO 0.03 -0.18 -0.14 -0.11 0.00 0.00 0.00 173.10 172.70 3iss s PHE 322 N -0.88 2.54 -0.11 1.90 -0.71 -1.23 -0.83 117.98 118.66 3iss s PHE 322 Ca -0.10 -0.26 0.00 0.00 -1.04 0.00 0.00 56.93 55.54 3iss s PHE 322 Cb -0.06 -1.27 0.02 0.00 -1.21 0.00 0.00 43.02 40.51 3iss s PHE 322 CO 0.00 0.49 -0.09 0.42 -1.34 0.00 0.00 175.22 174.70 3iss s ILE 323 N -1.59 1.13 -0.10 -4.49 1.01 -0.39 -1.37 121.20 115.41 3iss s ILE 323 Ca 0.23 -0.37 -0.00 0.00 0.00 0.00 0.00 60.65 60.50 3iss s ILE 323 Cb -0.09 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 3iss s ILE 323 CO 0.13 0.38 -0.07 -0.89 0.00 0.00 0.00 174.94 174.49 3iss s THR 324 N 1.52 3.64 -0.22 2.92 2.01 0.52 -0.94 115.64 125.09 3iss s THR 324 Ca 0.02 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 3iss s THR 324 Cb -0.13 -2.52 0.01 0.00 0.01 0.00 0.00 72.50 69.87 3iss s THR 324 CO -0.07 0.56 -0.09 -0.70 -0.69 0.00 0.00 174.62 173.63 3iss s GLU 325 N -0.35 3.17 0.00 4.92 2.56 -0.54 -0.80 118.70 127.65 3iss s GLU 325 Ca 0.05 -0.75 0.09 0.00 0.00 0.00 0.00 54.97 54.35 3iss s GLU 325 Cb -0.12 -2.89 0.03 0.00 2.00 0.00 0.00 34.13 33.15 3iss s GLU 325 CO 0.02 -0.24 0.68 0.25 -0.56 0.00 0.00 175.26 175.41 3iss n THR 326 N 4.72 0.00 -0.12 -1.70 -2.24 -1.24 -4.55 114.28 109.16 3iss n THR 326 Ca -0.19 -0.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.92 3iss n THR 326 Cb 0.50 1.14 -0.07 0.00 -2.10 0.00 0.00 70.33 69.80 3iss n THR 326 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3iss n VAL 327 N 0.11 1.52 -3.96 2.28 0.31 -1.26 -4.82 118.33 112.51 3iss n VAL 327 Ca 0.04 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 63.90 3iss n VAL 327 Cb 0.20 -2.06 -0.14 0.00 -0.91 0.00 0.00 33.84 30.92 3iss n VAL 327 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3iss s PHE 328 N -2.63 3.31 -0.93 3.52 0.08 -1.26 -5.00 117.98 115.07 3iss s PHE 328 Ca -0.34 -3.02 0.14 0.00 0.12 0.00 0.00 56.93 53.83 3iss s PHE 328 Cb 0.10 -2.78 0.59 0.00 -0.57 0.00 0.00 43.02 40.36 3iss s PHE 328 CO 0.47 -0.84 1.43 0.39 -0.10 0.00 0.00 175.22 176.57 3iss n GLU 329 N 3.67 0.02 -0.59 0.44 1.02 -1.26 -2.21 120.64 121.73 3iss n GLU 329 Ca 0.05 0.31 0.02 0.00 -0.02 0.00 0.00 57.16 57.52 3iss n GLU 329 Cb 0.37 -1.55 0.20 0.00 -0.02 0.00 0.00 31.44 30.44 3iss n GLU 329 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iss n ASN 330 N -1.59 2.44 -3.86 1.62 3.02 -1.23 -4.65 115.26 111.01 3iss n ASN 330 Ca 0.03 -3.61 -0.42 0.00 -0.03 0.00 0.00 54.58 50.55 3iss n ASN 330 Cb 0.15 -0.56 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3iss n ARG 331 N -1.08 4.32 -0.09 3.52 0.63 -0.94 -4.54 116.66 118.48 3iss n ARG 331 Ca 0.25 -4.10 0.01 0.00 -0.92 0.00 0.00 57.85 53.09 3iss n ARG 331 Cb 0.86 -2.66 0.01 0.00 0.45 0.00 0.00 32.46 31.13 3iss n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 332 N 2.06 0.00 0.07 -0.14 3.72 -1.26 -4.84 117.46 117.06 3iss n PHE 332 Ca 0.37 -0.20 0.19 0.00 -0.05 0.00 0.00 57.45 57.76 3iss n PHE 332 Cb 0.32 -0.03 0.72 0.00 -0.94 0.00 0.00 39.48 39.55 3iss n PHE 332 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3iss h MET 333 N 0.00 0.00 -0.09 -1.08 2.86 -1.96 0.10 114.93 114.76 3iss h MET 333 Ca 0.00 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3iss h MET 333 Cb 0.95 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 3iss h MET 333 CO 0.00 0.00 0.07 1.12 1.06 0.00 0.00 176.91 179.16 3iss h HIS 334 N 0.00 0.00 0.37 -0.22 -0.00 -1.94 -3.26 115.15 110.10 3iss h HIS 334 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.55 3iss h HIS 334 Cb 0.85 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.26 3iss h HIS 334 CO 0.00 0.00 -0.18 0.28 -0.00 0.00 0.00 177.93 178.03 3iss h VAL 335 N 0.00 0.65 -0.57 6.12 2.07 -1.18 -0.81 116.25 122.53 3iss h VAL 335 Ca 0.04 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.33 3iss h VAL 335 Cb 0.18 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 3iss h VAL 335 CO -0.00 0.05 0.38 -0.65 0.02 0.00 0.00 177.57 177.37 3iss h PRO 336 N -0.64 0.70 -0.28 1.57 0.11 -1.71 -0.68 132.00 131.06 3iss h PRO 336 Ca -0.05 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.00 3iss h PRO 336 Cb 0.46 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3iss h PRO 336 CO 0.08 0.46 0.12 0.93 -0.21 0.00 0.00 178.00 179.38 3iss h GLU 337 N 0.72 0.41 0.00 1.05 4.39 -1.56 -2.23 114.58 117.36 3iss h GLU 337 Ca 0.22 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 3iss h GLU 337 Cb 0.00 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3iss h GLU 337 CO -0.05 0.42 -0.11 -0.07 -1.16 0.00 0.00 179.01 178.03 3iss h LEU 338 N 0.31 0.00 -1.24 1.33 3.38 -0.51 -0.43 115.31 118.14 3iss h LEU 338 Ca 0.09 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 338 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iss h LEU 338 CO -0.01 0.11 -0.37 0.28 0.09 0.00 0.00 178.44 178.55 3iss h SER 339 N 0.00 0.00 0.61 -0.43 0.02 -0.55 -1.59 113.55 111.61 3iss h SER 339 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3iss h SER 339 Cb 0.29 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.82 3iss h SER 339 CO 0.01 0.37 -0.08 0.03 -1.14 0.00 0.00 176.83 176.02 3iss h ARG 340 N 0.00 0.00 -0.64 3.45 3.08 -0.67 -2.06 114.38 117.55 3iss h ARG 340 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iss h ARG 340 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3iss h ARG 340 CO 0.05 0.08 0.00 -1.33 -1.07 0.00 0.00 179.97 177.70 3iss n MET 341 N -3.32 2.77 -0.33 0.04 2.81 -0.65 -4.81 117.12 113.63 3iss n MET 341 Ca -0.01 -2.35 0.00 0.00 -1.81 0.00 0.00 57.70 53.54 3iss n MET 341 Cb 0.26 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 3iss n MET 341 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3iss n GLY 342 N 1.35 0.78 3.77 3.03 0.00 -0.77 -0.77 105.19 112.58 3iss n GLY 342 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 3iss n GLY 342 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 343 N -2.20 2.69 -0.34 4.61 0.00 -0.88 -4.96 121.76 120.69 3iss s ALA 343 Ca 0.00 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 3iss s ALA 343 Cb 0.00 -3.36 0.07 0.00 0.00 0.00 0.00 23.12 19.83 3iss s ALA 343 CO 0.00 -0.77 0.08 -1.01 0.00 0.00 0.00 175.76 174.06 3iss s HIS 344 N -1.79 3.38 0.01 0.00 0.09 -1.26 -4.50 115.29 111.23 3iss s HIS 344 Ca 0.73 -2.04 -0.09 0.00 -0.00 0.00 0.00 55.06 53.66 3iss s HIS 344 Cb -0.24 -2.50 0.00 0.00 -0.00 0.00 0.00 32.58 29.84 3iss s HIS 344 CO 0.27 -0.85 0.17 0.00 -0.00 0.00 0.00 174.74 174.33 3iss s ALA 345 N 1.22 -0.38 0.11 -1.40 0.00 -1.26 -1.42 121.76 118.64 3iss s ALA 345 Ca -0.00 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.87 3iss s ALA 345 Cb -0.21 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3iss s ALA 345 CO -0.02 -0.26 -0.15 -1.83 0.00 0.00 0.00 175.76 173.50 3iss s GLU 346 N -1.79 1.01 -0.26 0.00 1.03 -0.41 -4.98 118.70 113.31 3iss s GLU 346 Ca -0.11 -1.18 -0.02 0.00 0.03 0.00 0.00 54.97 53.68 3iss s GLU 346 Cb -0.05 -0.97 0.03 0.00 -0.80 0.00 0.00 34.13 32.34 3iss s GLU 346 CO 0.00 0.20 -0.04 0.42 -1.33 0.00 0.00 175.26 174.51 3iss s ILE 347 N -1.84 3.02 -0.37 1.83 1.01 -1.26 -0.08 121.20 123.51 3iss s ILE 347 Ca 0.07 -1.01 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 3iss s ILE 347 Cb -0.07 -2.55 0.07 0.00 0.01 0.00 0.00 42.46 39.92 3iss s ILE 347 CO 0.03 0.16 0.15 -1.61 0.00 0.00 0.00 174.94 173.67 3iss s GLU 348 N 1.34 2.37 6.99 2.79 0.41 0.12 -4.98 118.70 127.75 3iss s GLU 348 Ca 0.00 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.09 3iss s GLU 348 Cb -0.17 -3.50 0.00 0.00 -1.78 0.00 0.00 34.13 28.68 3iss s GLU 348 CO -0.03 -0.85 0.00 0.45 -0.49 0.00 0.00 175.26 174.33 3iss n SER 349 N 4.72 0.00 -1.24 -0.19 2.88 -1.26 -1.72 113.62 116.80 3iss n SER 349 Ca -0.09 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.41 3iss n SER 349 Cb 0.43 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.10 3iss n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3iss n ASN 350 N 10.46 2.90 -4.10 -3.46 0.23 -1.26 -4.93 115.26 115.10 3iss n ASN 350 Ca 0.00 -3.61 -0.26 0.00 -0.53 0.00 0.00 54.58 50.17 3iss n ASN 350 Cb 0.00 -0.64 -0.16 0.00 -2.08 0.00 0.00 39.78 36.89 3iss n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3iss s THR 351 N -3.18 1.42 -0.17 5.53 2.01 -0.70 -1.47 115.64 119.07 3iss s THR 351 Ca 0.46 -0.67 -0.11 0.00 0.31 0.00 0.00 61.69 61.68 3iss s THR 351 Cb 0.40 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 3iss s THR 351 CO 0.03 0.41 0.20 0.54 -0.69 0.00 0.00 174.62 175.11 3iss s VAL 352 N 0.37 5.37 -0.28 3.82 0.11 -0.12 -0.70 120.40 128.98 3iss s VAL 352 Ca -0.11 0.34 -0.09 0.00 -2.93 0.00 0.00 61.98 59.18 3iss s VAL 352 Cb -0.15 -3.53 -0.03 0.00 -1.53 0.00 0.00 36.38 31.15 3iss s VAL 352 CO 0.04 0.44 0.12 -0.63 -3.33 0.00 0.00 175.10 171.74 3iss s ILE 353 N 0.25 4.62 -0.11 7.04 1.01 0.88 -1.26 121.20 133.63 3iss s ILE 353 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 3iss s ILE 353 Cb -0.12 -3.24 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3iss s ILE 353 CO 0.01 0.23 -0.05 0.00 0.00 0.00 0.00 174.94 175.13 3iss s HIS 355 N -0.22 3.52 0.20 0.00 3.76 -0.50 -1.65 115.29 120.38 3iss s HIS 355 Ca 0.04 -2.52 -0.33 0.00 -0.15 0.00 0.00 55.06 52.10 3iss s HIS 355 Cb -0.13 -2.58 -0.13 0.00 1.11 0.00 0.00 32.58 30.85 3iss s HIS 355 CO 0.02 -0.91 1.56 0.41 -0.85 0.00 0.00 174.74 174.98 3iss n GLY 356 N 4.43 1.13 3.83 -2.22 0.00 -0.70 -4.23 105.19 107.42 3iss n GLY 356 Ca -0.05 0.60 -0.22 0.00 0.00 0.00 0.00 46.02 46.35 3iss n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 357 N 0.65 3.97 0.07 1.61 -7.23 -0.28 -4.70 120.40 114.48 3iss s VAL 357 Ca 0.74 -1.42 -0.17 0.00 -1.81 0.00 0.00 61.98 59.32 3iss s VAL 357 Cb -0.63 -3.27 -0.12 0.00 0.56 0.00 0.00 36.38 32.92 3iss s VAL 357 CO 0.41 -0.27 1.36 -0.08 -0.31 0.00 0.00 175.10 176.21 3iss h GLU 358 N 1.40 0.54 -2.47 4.82 4.22 -1.87 -3.37 114.58 117.85 3iss h GLU 358 Ca -0.47 -0.30 -0.09 0.00 0.08 0.00 0.00 59.36 58.58 3iss h GLU 358 Cb 1.25 0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.31 3iss h GLU 358 CO 0.60 0.90 -0.04 -1.59 -2.18 0.00 0.00 179.01 176.69 3iss s LYS 359 N -4.23 0.80 0.48 1.92 -2.85 -1.26 -5.03 119.74 109.57 3iss s LYS 359 Ca -0.13 0.27 -0.00 0.00 -1.00 0.00 0.00 55.97 55.10 3iss s LYS 359 Cb 0.07 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.22 3iss s LYS 359 CO 0.80 -0.20 0.70 -0.51 0.10 0.00 0.00 175.35 176.24 3iss s LEU 360 N -0.78 3.56 -0.08 2.77 1.43 -1.26 -4.97 118.68 119.35 3iss s LEU 360 Ca -0.08 0.27 0.04 0.00 -1.03 0.00 0.00 54.13 53.33 3iss s LEU 360 Cb -0.03 -3.15 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3iss s LEU 360 CO 0.05 -0.80 -0.20 -0.44 0.23 0.00 0.00 176.35 175.19 3iss s SER 361 N -4.26 3.44 0.42 2.29 0.01 0.05 0.11 113.70 115.76 3iss s SER 361 Ca 0.50 -0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.09 3iss s SER 361 Cb -0.10 -1.08 -0.10 0.00 0.21 0.00 0.00 66.02 64.94 3iss s SER 361 CO 0.38 0.23 1.07 0.61 0.41 0.00 0.00 173.24 175.95 3iss n GLY 362 N 3.04 -0.04 3.81 3.44 0.00 -0.41 -4.38 105.19 110.64 3iss n GLY 362 Ca -0.18 0.16 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 3iss n GLY 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 363 N -1.25 -1.44 -0.21 4.61 0.00 -1.11 -4.80 121.76 117.57 3iss s ALA 363 Ca 0.63 -0.20 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 3iss s ALA 363 Cb -0.55 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3iss s ALA 363 CO 0.57 -1.04 0.63 -0.65 0.00 0.00 0.00 175.76 175.27 3iss s GLN 364 N -2.89 4.20 0.15 0.00 -0.21 -1.26 -2.25 119.66 117.40 3iss s GLN 364 Ca 0.15 0.61 0.05 0.00 0.02 0.00 0.00 55.36 56.19 3iss s GLN 364 Cb -0.03 -3.59 -0.04 0.00 1.00 0.00 0.00 33.01 30.35 3iss s GLN 364 CO 0.05 -0.27 -0.11 0.14 -2.12 0.00 0.00 175.29 172.99 3iss s VAL 365 N 2.00 1.24 -0.17 1.09 -7.23 -0.18 -4.96 120.40 112.18 3iss s VAL 365 Ca 0.28 -2.06 0.01 0.00 -1.81 0.00 0.00 61.98 58.40 3iss s VAL 365 Cb -0.16 -1.85 0.01 0.00 0.56 0.00 0.00 36.38 34.95 3iss s VAL 365 CO 0.10 -0.71 -0.18 -0.32 -0.31 0.00 0.00 175.10 173.68 3iss s MET 366 N -3.67 3.07 0.47 4.82 1.75 -1.26 -0.56 119.30 123.91 3iss s MET 366 Ca 0.17 -0.80 -0.22 0.00 -1.25 0.00 0.00 55.69 53.59 3iss s MET 366 Cb 0.02 -2.60 -0.08 0.00 2.84 0.00 0.00 34.83 35.00 3iss s MET 366 CO 0.01 -0.15 1.09 0.00 -0.65 0.00 0.00 175.02 175.32 3iss s ALA 367 N 1.18 2.92 0.00 4.11 0.00 -0.79 -4.94 121.76 124.24 3iss s ALA 367 Ca 0.02 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.73 3iss s ALA 367 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3iss s ALA 367 CO -0.08 -0.45 0.00 0.25 0.00 0.00 0.00 175.76 175.47 3iss n THR 368 N -0.69 0.00 -3.86 0.00 -2.24 -1.26 -4.85 114.28 101.38 3iss n THR 368 Ca 0.08 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.59 3iss n THR 368 Cb 0.50 0.81 -0.17 0.00 -2.10 0.00 0.00 70.33 69.38 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 2.40 0.06 3.42 -1.08 -1.26 -5.02 116.67 115.19 3iss s ASP 369 Ca 0.00 -0.45 -0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3iss s ASP 369 Cb 0.00 -0.79 0.07 0.00 -1.46 0.00 0.00 42.92 40.75 3iss s ASP 369 CO 0.00 -0.17 0.37 -0.11 0.52 0.00 0.00 175.17 175.78 3iss n LEU 370 N 4.96 -0.13 -0.05 -1.34 0.00 -1.26 -2.15 117.00 117.02 3iss n LEU 370 Ca -0.11 0.42 -0.08 0.00 0.00 0.00 0.00 56.01 56.24 3iss n LEU 370 Cb 0.49 -0.10 -0.05 0.00 0.00 0.00 0.00 43.42 43.76 3iss n LEU 370 CO 0.15 -0.38 -0.85 0.54 0.00 0.00 0.00 177.39 176.85 3iss n ARG 371 N -4.36 0.26 -0.13 1.96 5.12 -1.26 -4.18 116.66 114.06 3iss n ARG 371 Ca 0.03 0.06 -0.02 0.00 -1.93 0.00 0.00 57.85 56.00 3iss n ARG 371 Cb 0.10 -1.18 0.22 0.00 -1.16 0.00 0.00 32.46 30.44 3iss n ARG 371 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3iss h ALA 372 N -0.04 1.29 0.00 7.54 0.00 -1.84 -2.82 119.26 123.39 3iss h ALA 372 Ca -0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iss h ALA 372 Cb 1.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3iss h ALA 372 CO -0.05 0.51 0.00 0.43 0.00 0.00 0.00 179.25 180.15 3iss n SER 373 N -4.31 0.35 0.29 0.00 7.64 -0.91 -1.64 113.62 115.03 3iss n SER 373 Ca 0.04 0.60 0.17 0.00 1.01 0.00 0.00 58.87 60.70 3iss n SER 373 Cb 0.19 -0.67 0.96 0.00 -1.01 0.00 0.00 64.21 63.68 3iss n SER 373 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iss h ALA 374 N 2.27 1.46 0.00 -0.43 0.00 -1.73 -0.24 119.26 120.60 3iss h ALA 374 Ca 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3iss h ALA 374 Cb 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iss h ALA 374 CO 0.00 -0.09 -0.36 0.66 0.00 0.00 0.00 179.25 179.45 3iss h SER 375 N 0.00 0.00 -0.56 0.00 4.64 -1.53 -1.09 113.55 115.01 3iss h SER 375 Ca 0.02 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.23 3iss h SER 375 Cb 0.16 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.23 3iss h SER 375 CO -0.00 0.36 -0.07 -0.07 -0.87 0.00 0.00 176.83 176.18 3iss h LEU 376 N 0.00 1.04 -0.17 5.97 3.38 -1.24 0.15 115.31 124.44 3iss h LEU 376 Ca -0.00 -0.33 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 3iss h LEU 376 Cb 0.75 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3iss h LEU 376 CO 0.05 1.13 0.03 0.58 0.09 0.00 0.00 178.44 180.31 3iss h VAL 377 N 0.93 1.22 -0.54 1.22 2.07 -1.44 -1.31 116.25 118.41 3iss h VAL 377 Ca 0.15 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.02 3iss h VAL 377 Cb 0.64 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 3iss h VAL 377 CO 0.04 0.21 0.26 -0.07 0.02 0.00 0.00 177.57 178.04 3iss h LEU 378 N 0.07 0.36 -0.57 2.57 4.07 -1.10 -1.85 115.31 118.86 3iss h LEU 378 Ca 0.05 0.04 0.08 0.00 0.08 0.00 0.00 57.88 58.12 3iss h LEU 378 Cb 0.30 -0.03 -0.06 0.00 1.08 0.00 0.00 40.66 41.95 3iss h LEU 378 CO 0.00 0.24 0.24 0.00 -1.08 0.00 0.00 178.44 177.84 3iss h ALA 379 N 1.31 0.73 -0.99 1.53 0.00 -0.50 -1.97 119.26 119.37 3iss h ALA 379 Ca 0.24 0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.38 3iss h ALA 379 Cb 0.18 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 3iss h ALA 379 CO -0.19 -0.16 0.62 0.78 0.00 0.00 0.00 179.25 180.30 3iss h GLY 380 N 0.44 1.64 1.80 0.00 0.00 -0.42 -0.41 103.07 106.12 3iss h GLY 380 Ca 0.27 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3iss h GLY 380 CO -0.25 0.02 -0.16 0.00 0.00 0.00 0.00 176.54 176.14 3iss n ILE 382 N -4.24 0.00 -1.61 0.00 -5.35 -0.67 -1.39 119.36 106.10 3iss n ILE 382 Ca -0.01 -0.28 -0.30 0.00 -0.27 0.00 0.00 62.75 61.89 3iss n ILE 382 Cb 0.29 1.12 0.07 0.00 -1.74 0.00 0.00 39.64 39.38 3iss n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iss s ALA 383 N -2.01 2.50 -0.44 -1.28 0.00 -0.25 -4.52 121.76 115.75 3iss s ALA 383 Ca 0.10 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.70 3iss s ALA 383 Cb 0.12 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.14 3iss s ALA 383 CO 0.46 -1.46 0.80 -2.00 0.00 0.00 0.00 175.76 173.56 3iss s GLU 384 N -5.15 3.47 0.00 0.00 2.56 0.12 -1.78 118.70 117.92 3iss s GLU 384 Ca 0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.97 55.55 3iss s GLU 384 Cb -0.14 -3.92 0.00 0.00 2.00 0.00 0.00 34.13 32.08 3iss s GLU 384 CO 0.54 -1.09 0.00 0.41 -0.56 0.00 0.00 175.26 174.57 3iss n GLY 385 N 4.91 0.84 3.32 -1.50 0.00 -0.23 -1.29 105.19 111.23 3iss n GLY 385 Ca 0.03 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 3iss n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 386 N 0.00 3.10 -0.10 2.61 2.01 -1.26 -0.97 115.64 121.03 3iss s THR 386 Ca 0.00 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.41 3iss s THR 386 Cb 0.00 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 3iss s THR 386 CO 0.00 0.49 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.35 3iss s THR 387 N 0.89 2.73 -0.25 -0.82 2.01 -0.14 -2.75 115.64 117.32 3iss s THR 387 Ca -0.02 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.14 3iss s THR 387 Cb -0.15 -2.09 0.01 0.00 0.01 0.00 0.00 72.50 70.28 3iss s THR 387 CO 0.00 0.55 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.77 3iss s VAL 388 N 0.03 3.33 -0.44 3.82 1.01 -0.96 -0.47 120.40 126.73 3iss s VAL 388 Ca -0.06 -0.74 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 3iss s VAL 388 Cb -0.15 -2.63 0.04 0.00 0.00 0.00 0.00 36.38 33.64 3iss s VAL 388 CO 0.05 0.26 0.40 -0.69 0.00 0.00 0.00 175.10 175.11 3iss s VAL 389 N 1.43 5.16 0.39 2.92 1.01 0.33 -1.02 120.40 130.62 3iss s VAL 389 Ca 0.03 -0.65 -0.19 0.00 0.00 0.00 0.00 61.98 61.17 3iss s VAL 389 Cb -0.16 -4.05 -0.10 0.00 0.00 0.00 0.00 36.38 32.07 3iss s VAL 389 CO -0.02 -0.46 0.87 -0.62 0.00 0.00 0.00 175.10 174.86 3iss s ASP 390 N 2.05 6.88 -0.51 3.32 2.15 0.27 -1.66 116.67 129.17 3iss s ASP 390 Ca 0.08 1.53 -0.03 0.00 0.43 0.00 0.00 52.55 54.56 3iss s ASP 390 Cb -0.20 -2.47 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3iss s ASP 390 CO 0.10 -0.30 0.44 -1.14 -0.17 0.00 0.00 175.17 174.11 3iss n ARG 391 N -0.52 -2.97 0.00 4.34 0.63 -1.17 -1.88 116.66 115.09 3iss n ARG 391 Ca 0.06 0.31 0.10 0.00 -0.92 0.00 0.00 57.85 57.40 3iss n ARG 391 Cb 0.54 -3.78 0.62 0.00 0.45 0.00 0.00 32.46 30.28 3iss n ARG 391 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3iss n ILE 392 N -3.32 0.00 0.15 5.15 -5.35 -1.23 -3.27 119.36 111.48 3iss n ILE 392 Ca -0.01 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.62 3iss n ILE 392 Cb 0.53 -0.47 0.70 0.00 -1.74 0.00 0.00 39.64 38.66 3iss n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3iss h TYR 393 N 0.00 0.00 -0.07 4.28 -0.00 -1.91 -0.15 116.97 119.13 3iss h TYR 393 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.75 3iss h TYR 393 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 36.71 3iss h TYR 393 CO 0.00 0.00 -0.04 0.45 -0.00 0.00 0.00 178.16 178.57 3iss h HIS 394 N 0.00 -0.10 -0.54 0.10 3.86 -1.93 -2.72 115.15 113.82 3iss h HIS 394 Ca 0.12 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 3iss h HIS 394 Cb 0.49 0.06 -0.03 0.00 1.06 0.00 0.00 27.41 28.99 3iss h HIS 394 CO 0.00 -0.07 0.24 0.82 0.86 0.00 0.00 177.93 179.78 3iss h ILE 395 N -0.05 1.19 0.00 2.45 2.04 -1.30 -1.93 117.51 119.90 3iss h ILE 395 Ca 0.04 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.34 3iss h ILE 395 Cb 0.11 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 3iss h ILE 395 CO -0.10 0.23 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 3iss h ASP 396 N 0.76 0.00 0.54 1.72 3.32 -0.97 -0.12 116.42 121.67 3iss h ASP 396 Ca 0.19 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 3iss h ASP 396 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3iss h ASP 396 CO -0.02 0.01 -0.33 0.03 -1.72 0.00 0.00 179.24 177.20 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.06 -2.69 114.38 117.27 3iss h ARG 397 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 3iss h ARG 397 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.04 3iss h ARG 397 CO 0.00 0.33 -1.73 0.41 -1.07 0.00 0.00 179.97 177.92 3iss n GLY 398 N -0.25 -0.57 3.10 0.04 0.00 -0.19 -3.64 105.19 103.68 3iss n GLY 398 Ca -0.01 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 3iss n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 399 N -2.46 1.23 -0.59 1.61 2.02 -0.45 -4.95 117.35 113.77 3iss s TYR 399 Ca -0.05 -0.24 -0.28 0.00 -0.37 0.00 0.00 57.07 56.12 3iss s TYR 399 Cb 0.05 -0.80 0.03 0.00 -0.40 0.00 0.00 41.96 40.84 3iss s TYR 399 CO 0.49 -0.03 1.17 -2.00 -1.57 0.00 0.00 175.55 173.61 3iss s GLU 400 N -0.27 3.48 -1.03 -0.62 2.12 -1.26 -4.44 118.70 116.67 3iss s GLU 400 Ca 0.04 0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 3iss s GLU 400 Cb -0.06 -4.03 -0.01 0.00 0.26 0.00 0.00 34.13 30.30 3iss s GLU 400 CO -0.00 -1.69 0.75 0.54 -0.54 0.00 0.00 175.26 174.31 3iss n ARG 401 N 8.41 -1.26 0.20 4.30 1.74 -1.26 -4.87 116.66 123.91 3iss n ARG 401 Ca 0.07 0.65 0.05 0.00 -0.77 0.00 0.00 57.85 57.85 3iss n ARG 401 Cb 0.49 -4.04 0.43 0.00 -1.02 0.00 0.00 32.46 28.31 3iss n ARG 401 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3iss h ILE 402 N -1.31 1.06 -0.08 0.55 2.10 -1.96 -2.78 117.51 115.10 3iss h ILE 402 Ca -0.57 -1.16 -0.13 0.00 1.08 0.00 0.00 64.86 64.08 3iss h ILE 402 Cb 1.32 1.66 -0.01 0.00 -1.09 0.00 0.00 36.82 38.69 3iss h ILE 402 CO 0.44 0.31 -0.54 1.05 -1.08 0.00 0.00 178.15 178.33 3iss h GLU 403 N 0.00 0.22 -0.24 2.19 9.09 -1.97 -1.79 114.58 122.08 3iss h GLU 403 Ca -0.00 -0.13 -0.06 0.00 0.05 0.00 0.00 59.36 59.21 3iss h GLU 403 Cb 0.63 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.74 3iss h GLU 403 CO 0.04 0.70 -0.10 -0.44 0.05 0.00 0.00 179.01 179.26 3iss h ASP 404 N 0.17 0.50 -0.55 3.06 3.32 -1.86 -0.94 116.42 120.12 3iss h ASP 404 Ca 0.00 -0.40 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 3iss h ASP 404 Cb 1.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 3iss h ASP 404 CO 0.08 0.79 -0.05 0.11 -1.72 0.00 0.00 179.24 178.45 3iss h LYS 405 N 0.21 1.02 -0.50 3.56 1.57 -1.48 -1.95 116.57 118.99 3iss h LYS 405 Ca 0.05 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 3iss h LYS 405 Cb 0.60 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3iss h LYS 405 CO 0.03 1.03 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.81 3iss h LEU 406 N 0.92 0.93 -0.89 2.94 3.38 -1.29 -2.88 115.31 118.41 3iss h LEU 406 Ca 0.16 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 406 Cb 0.60 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 3iss h LEU 406 CO 0.04 1.04 0.38 -0.09 0.09 0.00 0.00 178.44 179.90 3iss h ARG 407 N 0.79 1.18 0.00 1.13 2.43 -1.03 -0.38 114.38 118.49 3iss h ARG 407 Ca 0.14 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3iss h ARG 407 Cb 0.60 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3iss h ARG 407 CO 0.04 0.91 0.00 0.00 -1.51 0.00 0.00 179.97 179.41 3iss n ALA 408 N -2.43 1.74 0.62 2.80 0.00 -0.74 -1.07 120.51 121.43 3iss n ALA 408 Ca 0.08 -0.06 0.07 0.00 0.00 0.00 0.00 53.44 53.53 3iss n ALA 408 Cb 0.15 -1.19 0.05 0.00 0.00 0.00 0.00 19.45 18.45 3iss n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iss n LEU 409 N -1.26 2.05 0.00 0.00 4.77 -0.25 -4.70 117.00 117.62 3iss n LEU 409 Ca 0.06 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.10 3iss n LEU 409 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iss n LEU 409 CO 0.09 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3iss n GLY 410 N 0.89 0.91 3.77 -0.72 0.00 -0.23 -1.10 105.19 108.70 3iss n GLY 410 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 3iss n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 411 N -2.00 3.44 -0.73 4.61 0.00 -0.64 -4.80 121.76 121.64 3iss s ALA 411 Ca 0.00 1.15 -0.17 0.00 0.00 0.00 0.00 51.96 52.94 3iss s ALA 411 Cb 0.00 -3.44 0.15 0.00 0.00 0.00 0.00 23.12 19.83 3iss s ALA 411 CO 0.00 -0.53 0.78 1.21 0.00 0.00 0.00 175.76 177.23 3iss s ASN 412 N -0.64 6.46 0.00 0.00 3.84 -1.26 -4.41 114.94 118.94 3iss s ASN 412 Ca 0.49 -2.00 0.01 0.00 0.21 0.00 0.00 52.86 51.57 3iss s ASN 412 Cb -0.37 -2.28 -0.01 0.00 -0.55 0.00 0.00 41.25 38.04 3iss s ASN 412 CO 0.49 -0.90 -0.04 -0.51 -2.79 0.00 0.00 177.10 173.35 3iss s ILE 413 N 1.74 0.30 -0.02 -5.21 2.07 -1.26 -1.06 121.20 117.76 3iss s ILE 413 Ca 0.17 -0.32 -0.02 0.00 -1.41 0.00 0.00 60.65 59.06 3iss s ILE 413 Cb -0.17 -0.29 0.01 0.00 0.13 0.00 0.00 42.46 42.14 3iss s ILE 413 CO -0.02 -0.02 0.06 -0.70 -1.91 0.00 0.00 174.94 172.34 3iss s GLU 414 N -0.37 0.06 -0.35 3.50 2.12 -0.05 -4.98 118.70 118.62 3iss s GLU 414 Ca -0.01 0.08 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 3iss s GLU 414 Cb -0.03 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.38 3iss s GLU 414 CO -0.00 -0.01 0.39 0.50 -0.54 0.00 0.00 175.26 175.60 3iss s ARG 415 N 0.04 3.51 0.30 4.30 3.52 -1.26 -0.49 118.95 128.87 3iss s ARG 415 Ca -0.00 -0.43 0.09 0.00 -0.13 0.00 0.00 55.73 55.26 3iss s ARG 415 Cb -0.01 -3.83 -0.04 0.00 -1.56 0.00 0.00 34.95 29.51 3iss s ARG 415 CO 0.00 -0.59 0.06 0.14 -0.81 0.00 0.00 175.30 174.11 3iss s VAL 416 N 2.09 3.26 -0.43 7.11 -7.23 -0.56 -4.95 120.40 119.68 3iss s VAL 416 Ca 0.13 -1.81 0.04 0.00 -1.81 0.00 0.00 61.98 58.52 3iss s VAL 416 Cb -0.16 -2.92 0.46 0.00 0.56 0.00 0.00 36.38 34.32 3iss s VAL 416 CO 0.12 -0.28 1.51 0.29 -0.31 0.00 0.00 175.10 176.42 3iss n LYS 417 N -1.01 3.27 0.00 4.82 4.76 -1.26 -1.61 118.16 127.13 3iss n LYS 417 Ca -0.05 -3.84 0.00 0.00 -2.87 0.00 0.00 58.31 51.55 3iss n LYS 417 Cb 0.60 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.51 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44