#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 4.88 0.05 7.83 1.11 -1.26 -3.93 116.67 125.35 3iss s ASP 2 Ca 0.00 2.34 -0.00 0.00 0.18 0.00 0.00 52.55 55.07 3iss s ASP 2 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3iss s ASP 2 CO 0.00 -1.80 -0.04 -0.54 1.18 0.00 0.00 175.17 173.98 3iss s LYS 3 N -3.59 0.58 -0.19 8.23 1.02 -0.70 -3.18 119.74 121.90 3iss s LYS 3 Ca 0.75 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 3iss s LYS 3 Cb -0.29 0.12 -0.03 0.00 -0.52 0.00 0.00 37.83 37.11 3iss s LYS 3 CO 0.38 -0.08 0.02 -0.06 -0.92 0.00 0.00 175.35 174.69 3iss s PHE 4 N -3.29 3.12 -0.23 3.18 0.08 -0.73 -1.40 117.98 118.71 3iss s PHE 4 Ca 0.02 -0.22 -0.11 0.00 0.12 0.00 0.00 56.93 56.75 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 -0.06 0.17 0.50 -0.10 0.00 0.00 175.22 175.65 3iss s ARG 5 N 0.71 4.11 -0.01 0.44 3.52 0.19 -0.79 118.95 127.11 3iss s ARG 5 Ca 0.01 -0.22 0.07 0.00 -0.13 0.00 0.00 55.73 55.46 3iss s ARG 5 Cb -0.14 -3.51 -0.02 0.00 -1.56 0.00 0.00 34.95 29.72 3iss s ARG 5 CO 0.02 0.11 -0.22 0.08 -0.81 0.00 0.00 175.30 174.48 3iss s VAL 6 N 0.90 1.76 -0.14 7.11 1.01 0.66 -0.95 120.40 130.76 3iss s VAL 6 Ca 0.08 -0.97 0.02 0.00 0.00 0.00 0.00 61.98 61.11 3iss s VAL 6 Cb -0.13 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.79 3iss s VAL 6 CO 0.03 0.48 -0.21 -1.10 0.00 0.00 0.00 175.10 174.31 3iss s GLN 7 N -0.57 2.90 0.30 2.72 -1.52 0.07 -1.19 119.66 122.37 3iss s GLN 7 Ca 0.09 -0.81 0.06 0.00 -1.95 0.00 0.00 55.36 52.75 3iss s GLN 7 Cb -0.09 -2.36 -0.02 0.00 -0.22 0.00 0.00 33.01 30.32 3iss s GLN 7 CO -0.01 -0.04 0.27 0.41 -0.25 0.00 0.00 175.29 175.68 3iss n GLY 8 N 4.13 2.94 3.83 3.09 0.00 -0.22 -4.14 105.19 114.83 3iss n GLY 8 Ca -0.20 -1.85 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.20 3.33 -0.13 1.61 0.04 -0.76 -1.19 135.00 134.71 3iss s PRO 9 Ca 0.36 0.94 -0.11 0.00 0.04 0.00 0.00 61.00 62.23 3iss s PRO 9 Cb 0.02 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3iss s PRO 9 CO 0.25 -0.78 0.34 -0.08 0.04 0.00 0.00 177.00 176.77 3iss s THR 10 N -2.92 -0.01 -0.31 1.26 -1.32 -0.51 -4.99 115.64 106.84 3iss s THR 10 Ca 0.58 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.94 3iss s THR 10 Cb -0.13 -0.49 -0.02 0.00 -1.51 0.00 0.00 72.50 70.35 3iss s THR 10 CO 0.48 0.01 0.35 -0.75 -2.21 0.00 0.00 174.62 172.50 3iss s LYS 11 N 0.38 3.75 -0.27 7.08 2.20 -1.26 -4.56 119.74 127.06 3iss s LYS 11 Ca -0.02 -0.27 -0.25 0.00 -0.36 0.00 0.00 55.97 55.08 3iss s LYS 11 Cb -0.04 -3.74 -0.00 0.00 -1.51 0.00 0.00 37.83 32.54 3iss s LYS 11 CO -0.02 -0.41 0.85 -0.51 -0.36 0.00 0.00 175.35 174.91 3iss s LEU 12 N 2.01 4.07 0.09 5.43 1.43 -1.26 -4.72 118.68 125.73 3iss s LEU 12 Ca 0.12 0.95 -0.16 0.00 -1.03 0.00 0.00 54.13 54.01 3iss s LEU 12 Cb -0.16 -3.21 0.03 0.00 0.03 0.00 0.00 46.19 42.88 3iss s LEU 12 CO 0.11 -0.59 0.38 0.00 0.23 0.00 0.00 176.35 176.48 3iss s GLN 13 N 2.98 0.98 0.00 1.70 -2.07 -0.45 -3.44 119.66 119.36 3iss s GLN 13 Ca 0.36 -0.60 0.00 0.00 -1.82 0.00 0.00 55.36 53.30 3iss s GLN 13 Cb -0.15 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 3iss s GLN 13 CO 0.10 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.12 3iss n GLY 14 N 0.09 0.19 3.22 2.60 0.00 -0.51 -4.45 105.19 106.33 3iss n GLY 14 Ca -0.17 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.71 1.09 -0.05 1.61 -1.05 -1.26 -1.56 118.70 116.77 3iss s GLU 15 Ca 0.00 -1.53 -0.09 0.00 -0.15 0.00 0.00 54.97 53.20 3iss s GLU 15 Cb 0.00 -0.06 0.02 0.00 -0.44 0.00 0.00 34.13 33.65 3iss s GLU 15 CO 0.00 -0.21 0.21 0.54 0.95 0.00 0.00 175.26 176.75 3iss s VAL 16 N -3.83 0.03 -0.21 1.83 0.11 -0.33 -4.81 120.40 113.18 3iss s VAL 16 Ca 0.26 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.94 3iss s VAL 16 Cb 0.07 -0.39 -0.05 0.00 -1.53 0.00 0.00 36.38 34.48 3iss s VAL 16 CO 0.05 -0.14 0.25 -0.89 -3.33 0.00 0.00 175.10 171.04 3iss s THR 17 N -0.49 5.31 0.03 5.04 2.01 -1.26 -0.28 115.64 126.00 3iss s THR 17 Ca -0.06 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.03 3iss s THR 17 Cb -0.04 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 3iss s THR 17 CO 0.01 0.33 1.04 -0.63 -0.69 0.00 0.00 174.62 174.68 3iss s ILE 18 N 1.00 4.59 0.84 1.82 -1.09 0.15 -4.93 121.20 123.58 3iss s ILE 18 Ca 0.12 1.89 -0.12 0.00 -2.23 0.00 0.00 60.65 60.31 3iss s ILE 18 Cb -0.14 -4.21 0.10 0.00 -1.58 0.00 0.00 42.46 36.63 3iss s ILE 18 CO 0.05 0.17 1.15 -0.44 -1.23 0.00 0.00 174.94 174.63 3iss s SER 19 N 0.90 4.19 0.60 3.58 0.01 -1.26 -4.83 113.70 116.88 3iss s SER 19 Ca 0.53 0.94 -0.19 0.00 1.31 0.00 0.00 55.95 58.54 3iss s SER 19 Cb -0.24 -1.51 -0.03 0.00 0.21 0.00 0.00 66.02 64.45 3iss s SER 19 CO 0.29 -2.12 1.25 -0.83 0.41 0.00 0.00 173.24 172.24 3iss s GLY 20 N -4.27 2.80 -0.12 3.44 0.00 -1.23 -1.96 107.32 105.99 3iss s GLY 20 Ca 0.62 1.11 -0.29 0.00 0.00 0.00 0.00 44.72 46.17 3iss s GLY 20 CO 0.51 1.54 1.96 0.00 0.00 0.00 0.00 173.10 177.11 3iss s ALA 21 N -1.49 3.20 0.23 3.20 0.00 0.36 -4.34 121.76 122.92 3iss s ALA 21 Ca 0.78 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 3iss s ALA 21 Cb -0.34 -3.93 0.40 0.00 0.00 0.00 0.00 23.12 19.26 3iss s ALA 21 CO 0.37 -2.09 1.73 -0.22 0.00 0.00 0.00 175.76 175.55 3iss h LYS 22 N 12.18 0.42 -0.09 0.00 3.64 -1.90 -0.36 116.57 130.46 3iss h LYS 22 Ca -0.42 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3iss h LYS 22 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 3iss h LYS 22 CO 0.96 0.28 0.00 0.09 -2.27 0.00 0.00 179.45 178.51 3iss n ASN 23 N -5.00 0.70 -0.12 4.20 3.02 -1.26 -1.88 115.26 114.91 3iss n ASN 23 Ca 0.13 -1.65 -0.19 0.00 -0.03 0.00 0.00 54.58 52.83 3iss n ASN 23 Cb 0.37 -0.06 -0.10 0.00 -0.61 0.00 0.00 39.78 39.38 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 -0.28 1.46 -0.08 5.41 0.00 -0.62 -4.43 120.51 121.96 3iss n ALA 24 Ca 0.12 -1.01 -0.07 0.00 0.00 0.00 0.00 53.44 52.48 3iss n ALA 24 Cb 0.16 0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 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 -0.25 -0.02 0.08 0.00 0.00 -1.02 -2.23 119.26 115.82 3iss h ALA 25 Ca -0.56 0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 25 Cb 1.75 0.50 -0.03 0.00 0.00 0.00 0.00 17.79 20.01 3iss h ALA 25 CO -0.17 -0.62 -0.20 -0.07 0.00 0.00 0.00 179.25 178.20 3iss h LEU 26 N -0.19 -0.57 -1.24 0.00 4.07 -1.62 0.32 115.31 116.08 3iss h LEU 26 Ca 0.17 0.07 -0.05 0.00 0.08 0.00 0.00 57.88 58.15 3iss h LEU 26 Cb 0.44 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 3iss h LEU 26 CO -0.44 -0.28 0.03 -0.65 -1.08 0.00 0.00 178.44 176.03 3iss h PRO 27 N -0.36 0.54 -0.25 1.13 0.11 -1.76 -2.79 132.00 128.63 3iss h PRO 27 Ca 0.04 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3iss h PRO 27 Cb 0.40 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3iss h PRO 27 CO -0.13 0.55 -0.09 0.82 -0.21 0.00 0.00 178.00 178.93 3iss h ILE 28 N 0.53 1.29 -0.72 4.15 2.04 -1.06 -0.26 117.51 123.47 3iss h ILE 28 Ca 0.12 -1.14 0.09 0.00 1.00 0.00 0.00 64.86 64.93 3iss h ILE 28 Cb 0.29 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3iss h ILE 28 CO 0.01 0.35 0.48 -0.07 0.00 0.00 0.00 178.15 178.92 3iss h LEU 29 N 0.23 0.56 -0.03 1.44 4.07 -0.80 -1.40 115.31 119.38 3iss h LEU 29 Ca 0.06 0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.81 3iss h LEU 29 Cb 0.58 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 42.19 3iss h LEU 29 CO 0.03 0.34 -1.03 -0.26 -1.08 0.00 0.00 178.44 176.44 3iss h PHE 30 N 0.62 0.15 0.00 1.13 0.04 -1.29 -3.09 116.94 114.50 3iss h PHE 30 Ca 0.33 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.98 3iss h PHE 30 Cb 0.46 -0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 3iss h PHE 30 CO -0.00 1.05 -0.07 0.00 -0.60 0.00 0.00 178.31 178.69 3iss h ALA 31 N 0.91 1.13 0.00 2.45 0.00 -0.27 -2.40 119.26 121.07 3iss h ALA 31 Ca -0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3iss h ALA 31 Cb 1.77 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.54 3iss h ALA 31 CO 0.15 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.40 3iss h ALA 32 N 1.93 1.37 0.00 0.00 0.00 -1.20 -1.32 119.26 120.04 3iss h ALA 32 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iss h ALA 32 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iss h ALA 32 CO 0.01 0.11 0.17 -0.07 0.00 0.00 0.00 179.25 179.47 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.59 0.82 115.31 117.92 3iss h LEU 33 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3iss h LEU 33 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3iss h LEU 33 CO 0.01 0.00 -0.48 -0.07 0.09 0.00 0.00 178.44 177.99 3iss h LEU 34 N 0.00 0.00 -9.80 1.67 3.38 -1.45 -3.47 115.31 105.64 3iss h LEU 34 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 3iss h LEU 34 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 3iss h LEU 34 CO 0.00 0.38 0.41 0.00 0.09 0.00 0.00 178.44 179.32 3iss s ALA 35 N -3.03 3.35 -1.62 1.53 0.00 0.28 -4.43 121.76 117.84 3iss s ALA 35 Ca 0.04 0.74 0.14 0.00 0.00 0.00 0.00 51.96 52.88 3iss s ALA 35 Cb 0.07 -3.26 0.15 0.00 0.00 0.00 0.00 23.12 20.08 3iss s ALA 35 CO 0.74 0.02 0.99 0.39 0.00 0.00 0.00 175.76 177.90 3iss n GLU 36 N 1.21 1.19 -4.37 0.00 1.02 -0.68 -4.38 120.64 114.64 3iss n GLU 36 Ca -0.01 -1.45 -0.18 0.00 -0.02 0.00 0.00 57.16 55.50 3iss n GLU 36 Cb 0.46 -1.27 -0.10 0.00 -0.02 0.00 0.00 31.44 30.51 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 -1.12 1.46 0.48 3.49 0.41 -1.25 -4.70 118.70 117.47 3iss s GLU 37 Ca 0.18 -1.78 -0.22 0.00 -0.41 0.00 0.00 54.97 52.74 3iss s GLU 37 Cb 0.12 -0.60 -0.07 0.00 -1.78 0.00 0.00 34.13 31.80 3iss s GLU 37 CO 0.17 -0.18 1.17 -2.14 -0.49 0.00 0.00 175.26 173.80 3iss s PRO 38 N -3.92 3.63 0.04 0.39 0.02 -1.26 -4.19 135.00 129.70 3iss s PRO 38 Ca 0.34 1.78 0.04 0.00 0.02 0.00 0.00 61.00 63.18 3iss s PRO 38 Cb 0.07 -2.32 -0.02 0.00 0.02 0.00 0.00 34.50 32.25 3iss s PRO 38 CO 0.12 -0.66 -0.11 0.54 -0.33 0.00 0.00 177.00 176.56 3iss s VAL 39 N -1.57 0.86 -0.15 3.83 0.11 -0.05 -2.40 120.40 121.04 3iss s VAL 39 Ca 0.66 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 3iss s VAL 39 Cb -0.29 -0.82 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 3iss s VAL 39 CO 0.34 -0.13 -0.10 -0.70 -3.33 0.00 0.00 175.10 171.19 3iss s GLU 40 N -1.23 1.86 -0.27 1.54 2.12 -0.16 -1.07 118.70 121.50 3iss s GLU 40 Ca -0.02 -0.50 -0.10 0.00 0.36 0.00 0.00 54.97 54.71 3iss s GLU 40 Cb -0.08 -1.98 -0.04 0.00 0.26 0.00 0.00 34.13 32.29 3iss s GLU 40 CO 0.01 -0.31 0.16 0.42 -0.54 0.00 0.00 175.26 174.99 3iss s ILE 41 N 1.57 5.06 0.33 -3.70 1.09 -0.13 -1.97 121.20 123.45 3iss s ILE 41 Ca 0.03 0.08 0.05 0.00 -1.10 0.00 0.00 60.65 59.72 3iss s ILE 41 Cb -0.14 -3.40 -0.01 0.00 -1.06 0.00 0.00 42.46 37.85 3iss s ILE 41 CO -0.09 0.28 0.48 -1.10 -0.10 0.00 0.00 174.94 174.41 3iss s GLN 42 N 1.67 3.18 -1.34 2.79 -0.21 0.46 -0.30 119.66 125.90 3iss s GLN 42 Ca 0.07 -0.87 -0.07 0.00 0.02 0.00 0.00 55.36 54.52 3iss s GLN 42 Cb -0.16 -2.79 0.02 0.00 1.00 0.00 0.00 33.01 31.08 3iss s GLN 42 CO 0.09 0.09 1.05 -1.71 -2.12 0.00 0.00 175.29 172.68 3iss n ASN 43 N -1.67 -4.42 -4.72 5.90 5.15 -1.11 -1.99 115.26 112.40 3iss n ASN 43 Ca -0.02 -0.63 -0.38 0.00 -0.60 0.00 0.00 54.58 52.95 3iss n ASN 43 Cb 0.58 -4.76 -0.06 0.00 -0.53 0.00 0.00 39.78 35.01 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 -3.37 5.21 0.55 3.44 1.01 -1.10 -3.49 120.40 122.65 3iss s VAL 44 Ca 0.38 0.85 -0.20 0.00 0.00 0.00 0.00 61.98 63.02 3iss s VAL 44 Cb -0.18 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.37 3iss s VAL 44 CO 0.76 0.33 1.14 -2.16 0.00 0.00 0.00 175.10 175.17 3iss s PRO 45 N 0.67 3.32 -0.95 2.72 0.04 -1.26 -4.81 135.00 134.73 3iss s PRO 45 Ca 0.23 1.66 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 3iss s PRO 45 Cb -0.15 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.51 3iss s PRO 45 CO 0.09 -0.89 1.16 0.15 0.04 0.00 0.00 177.00 177.55 3iss s LYS 46 N -3.25 3.63 0.08 4.56 3.01 -1.26 -4.84 119.74 121.66 3iss s LYS 46 Ca 0.73 -1.78 0.04 0.00 -1.01 0.00 0.00 55.97 53.95 3iss s LYS 46 Cb -0.25 -4.94 -0.03 0.00 -1.01 0.00 0.00 37.83 31.59 3iss s LYS 46 CO 0.28 -1.79 -0.12 -0.51 0.51 0.00 0.00 175.35 173.72 3iss s LEU 47 N 2.71 2.32 0.43 3.17 1.43 -1.26 -4.43 118.68 123.06 3iss s LEU 47 Ca 0.34 -0.68 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3iss s LEU 47 Cb -0.04 -0.42 0.95 0.00 0.03 0.00 0.00 46.19 46.71 3iss s LEU 47 CO -0.09 -0.15 2.04 0.50 0.23 0.00 0.00 176.35 178.88 3iss h LYS 48 N 4.02 0.31 -0.21 1.70 1.63 -1.64 -1.93 116.57 120.45 3iss h LYS 48 Ca -0.39 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.33 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 0.45 0.27 -0.07 -0.44 -3.45 0.00 0.00 179.45 176.21 3iss h ASP 49 N 0.31 0.29 -0.24 4.20 5.19 -1.83 0.23 116.42 124.58 3iss h ASP 49 Ca 0.08 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.35 3iss h ASP 49 Cb 0.08 -0.08 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 3iss h ASP 49 CO -0.01 0.40 -0.18 0.58 -3.12 0.00 0.00 179.24 176.92 3iss h VAL 50 N 0.30 1.31 -0.24 -1.35 2.07 -1.68 -2.46 116.25 114.20 3iss h VAL 50 Ca 0.07 -1.31 0.05 0.00 0.82 0.00 0.00 66.70 66.33 3iss h VAL 50 Cb 0.32 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3iss h VAL 50 CO 0.01 0.41 -0.05 0.44 0.02 0.00 0.00 177.57 178.40 3iss h ASP 51 N 0.24 -0.19 -0.81 0.57 3.32 -1.00 0.04 116.42 118.58 3iss h ASP 51 Ca 0.04 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.17 3iss h ASP 51 Cb 0.71 0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 3iss h ASP 51 CO 0.05 -0.07 0.54 0.74 -1.72 0.00 0.00 179.24 178.78 3iss h THR 52 N 0.02 1.20 -0.15 0.35 2.02 -0.99 0.68 112.91 116.04 3iss h THR 52 Ca 0.12 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.90 3iss h THR 52 Cb 0.17 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3iss h THR 52 CO -0.24 0.20 0.02 0.28 0.37 0.00 0.00 175.52 176.15 3iss h SER 53 N 1.10 0.24 -0.26 4.18 0.02 -0.84 -2.05 113.55 115.93 3iss h SER 53 Ca 0.30 -0.27 0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3iss h SER 53 Cb -0.12 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.33 3iss h SER 53 CO -0.07 0.44 0.07 0.24 -1.14 0.00 0.00 176.83 176.38 3iss h MET 54 N 0.02 0.18 -0.87 3.45 2.07 -0.48 0.13 114.93 119.42 3iss h MET 54 Ca 0.04 -0.01 0.15 0.00 -2.07 0.00 0.00 59.70 57.82 3iss h MET 54 Cb 0.31 -0.04 -0.10 0.00 -1.87 0.00 0.00 31.60 29.90 3iss h MET 54 CO 0.00 0.12 0.45 -0.22 1.07 0.00 0.00 176.91 178.33 3iss h LYS 55 N 0.18 0.62 -0.10 1.72 3.64 -0.80 0.24 116.57 122.07 3iss h LYS 55 Ca 0.12 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3iss h LYS 55 Cb 0.10 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3iss h LYS 55 CO -0.13 0.41 -0.10 1.25 -2.27 0.00 0.00 179.45 178.61 3iss h LEU 56 N 0.63 0.26 -0.24 5.20 5.85 -0.58 -1.74 115.31 124.70 3iss h LEU 56 Ca 0.48 -0.48 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3iss h LEU 56 Cb 0.68 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 3iss h LEU 56 CO -0.37 0.69 -0.15 -0.07 -0.34 0.00 0.00 178.44 178.20 3iss h LEU 57 N -0.15 -0.48 -0.47 2.25 4.07 -0.42 -1.54 115.31 118.57 3iss h LEU 57 Ca 0.02 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.13 3iss h LEU 57 Cb 0.61 0.25 -0.04 0.00 1.08 0.00 0.00 40.66 42.56 3iss h LEU 57 CO 0.02 -0.18 0.23 -1.28 -1.08 0.00 0.00 178.44 176.15 3iss h SER 58 N -0.13 0.32 -0.27 -0.43 0.87 -0.97 -1.02 113.55 111.92 3iss h SER 58 Ca 0.13 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3iss h SER 58 Cb 0.33 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3iss h SER 58 CO -0.32 0.22 0.19 -0.61 -0.53 0.00 0.00 176.83 175.79 3iss h GLN 59 N 0.45 0.04 0.00 2.24 4.15 -0.69 0.70 115.11 121.99 3iss h GLN 59 Ca 0.21 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3iss h GLN 59 Cb 0.13 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3iss h GLN 59 CO -0.15 0.02 0.00 1.28 -1.93 0.00 0.00 178.83 178.05 3iss n LEU 60 N -4.47 0.40 0.00 -2.39 4.77 -0.45 -4.81 117.00 110.06 3iss n LEU 60 Ca 0.03 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.56 3iss n LEU 60 Cb 0.33 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3iss n LEU 60 CO 0.35 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3iss n GLY 61 N 1.23 1.01 3.83 -0.72 0.00 0.24 -2.09 105.19 108.68 3iss n GLY 61 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 2.96 -0.31 4.61 0.00 -0.84 -3.93 121.76 122.26 3iss s ALA 62 Ca 0.00 0.30 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 3iss s ALA 62 Cb 0.00 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 19.94 3iss s ALA 62 CO 0.00 -0.36 0.45 0.15 0.00 0.00 0.00 175.76 176.00 3iss s LYS 63 N -3.91 3.82 -0.03 0.00 3.01 0.41 -4.18 119.74 118.87 3iss s LYS 63 Ca 0.61 -0.04 0.03 0.00 -1.01 0.00 0.00 55.97 55.57 3iss s LYS 63 Cb -0.12 -3.73 -0.00 0.00 -1.01 0.00 0.00 37.83 32.97 3iss s LYS 63 CO 0.30 -0.46 -0.12 0.08 0.51 0.00 0.00 175.35 175.66 3iss s VAL 64 N 2.23 1.03 0.00 3.17 1.01 -1.26 -0.27 120.40 126.31 3iss s VAL 64 Ca 0.17 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.51 3iss s VAL 64 Cb -0.16 -0.89 0.02 0.00 0.00 0.00 0.00 36.38 35.35 3iss s VAL 64 CO 0.11 0.31 0.28 -1.83 0.00 0.00 0.00 175.10 173.97 3iss s GLU 65 N 0.05 0.68 -0.00 2.72 -1.05 -0.78 -5.01 118.70 115.30 3iss s GLU 65 Ca -0.02 -0.31 -0.09 0.00 -0.15 0.00 0.00 54.97 54.40 3iss s GLU 65 Cb -0.09 0.29 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 3iss s GLU 65 CO 0.01 -0.19 0.17 -0.98 0.95 0.00 0.00 175.26 175.22 3iss s ARG 66 N -1.66 0.52 0.00 -4.83 1.70 -1.26 -0.44 118.95 112.98 3iss s ARG 66 Ca -0.11 -0.35 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 3iss s ARG 66 Cb -0.04 0.22 0.00 0.00 -0.57 0.00 0.00 34.95 34.56 3iss s ARG 66 CO 0.02 -0.13 0.06 -0.40 -1.08 0.00 0.00 175.30 173.77 3iss n ASP 67 N 1.44 0.00 -0.00 -2.89 5.68 -1.26 -5.01 116.55 114.51 3iss n ASP 67 Ca -0.22 0.06 0.02 0.00 -0.50 0.00 0.00 54.79 54.15 3iss n ASP 67 Cb 0.56 0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.51 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 1.24 0.44 3.33 6.12 0.00 -1.26 -5.02 105.19 110.04 3iss n GLY 68 Ca 0.00 -0.14 -0.19 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.60 2.48 -0.12 1.61 0.01 -1.26 -2.72 113.70 112.10 3iss s SER 69 Ca 0.01 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.31 3iss s SER 69 Cb 0.04 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.13 3iss s SER 69 CO 0.20 -0.16 -0.17 -0.69 0.41 0.00 0.00 173.24 172.83 3iss s VAL 70 N -2.80 2.68 -0.20 3.43 1.01 0.58 -4.44 120.40 120.67 3iss s VAL 70 Ca 0.20 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.31 3iss s VAL 70 Cb -0.02 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3iss s VAL 70 CO 0.06 0.54 0.08 -1.00 0.00 0.00 0.00 175.10 174.77 3iss s HIS 71 N 0.37 3.23 -0.08 5.22 3.76 0.42 -0.96 115.29 127.25 3iss s HIS 71 Ca -0.13 0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.81 3iss s HIS 71 Cb -0.17 -2.13 0.02 0.00 1.11 0.00 0.00 32.58 31.41 3iss s HIS 71 CO 0.07 0.06 -0.12 0.42 -0.85 0.00 0.00 174.74 174.32 3iss s ILE 72 N 0.65 1.22 -0.32 0.60 1.01 -0.23 -1.87 121.20 122.26 3iss s ILE 72 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3iss s ILE 72 Cb -0.13 -1.13 0.08 0.00 0.01 0.00 0.00 42.46 41.29 3iss s ILE 72 CO 0.01 0.38 0.02 -0.62 0.00 0.00 0.00 174.94 174.74 3iss s ASP 73 N 0.90 4.78 -0.21 3.58 -1.08 0.63 -0.87 116.67 124.40 3iss s ASP 73 Ca -0.10 -1.79 0.15 0.00 -0.52 0.00 0.00 52.55 50.30 3iss s ASP 73 Cb -0.15 -1.65 0.69 0.00 -1.46 0.00 0.00 42.92 40.35 3iss s ASP 73 CO 0.01 -0.34 1.61 0.00 0.52 0.00 0.00 175.17 176.97 3iss n ALA 74 N 4.42 3.48 -0.15 3.66 0.00 -1.26 -0.44 120.51 130.22 3iss n ALA 74 Ca -0.05 -2.09 -0.11 0.00 0.00 0.00 0.00 53.44 51.19 3iss n ALA 74 Cb 0.42 -0.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.92 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 3.04 0.83 -0.80 0.00 3.08 -1.84 -3.23 114.38 115.46 3iss h ARG 75 Ca 0.00 -0.32 -0.15 0.00 0.07 0.00 0.00 59.98 59.59 3iss h ARG 75 Cb 1.74 -0.05 -0.09 0.00 0.08 0.00 0.00 29.97 31.66 3iss h ARG 75 CO 0.37 0.95 0.18 -0.25 -1.07 0.00 0.00 179.97 180.15 3iss n ASP 76 N -4.29 4.25 -4.70 7.04 8.00 -1.26 -4.94 116.55 120.64 3iss n ASP 76 Ca -0.01 -2.90 -0.42 0.00 0.71 0.00 0.00 54.79 52.17 3iss n ASP 76 Cb 0.37 -0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 40.76 3iss n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iss s VAL 77 N -2.41 2.34 0.00 2.53 1.01 -1.22 -4.71 120.40 117.94 3iss s VAL 77 Ca 0.42 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3iss s VAL 77 Cb 0.34 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.67 3iss s VAL 77 CO 0.11 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.75 3iss n ASN 78 N 4.87 0.00 -4.33 3.32 6.94 -0.89 -5.00 115.26 120.17 3iss n ASN 78 Ca 0.17 -0.74 -0.28 0.00 -0.02 0.00 0.00 54.58 53.71 3iss n ASN 78 Cb 0.37 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 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 2.00 -0.11 3.53 0.11 -0.95 -5.06 120.40 119.92 3iss s VAL 79 Ca 0.00 -1.50 0.17 0.00 -2.93 0.00 0.00 61.98 57.73 3iss s VAL 79 Cb 0.00 -1.75 0.40 0.00 -1.53 0.00 0.00 36.38 33.50 3iss s VAL 79 CO 0.00 0.16 1.19 0.49 -3.33 0.00 0.00 175.10 173.61 3iss n PHE 80 N 1.38 0.00 -4.52 1.54 3.72 -1.26 -4.71 117.46 113.61 3iss n PHE 80 Ca -0.18 -0.98 -0.24 0.00 -0.05 0.00 0.00 57.45 56.00 3iss n PHE 80 Cb 0.53 -0.19 -0.17 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.74 3.50 0.47 0.00 0.00 0.55 -4.90 121.76 122.12 3iss s ALA 82 Ca -0.13 -1.94 -0.20 0.00 0.00 0.00 0.00 51.96 49.68 3iss s ALA 82 Cb -0.16 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3iss s ALA 82 CO 0.03 -1.78 1.01 -1.25 0.00 0.00 0.00 175.76 173.76 3iss s PRO 83 N 1.96 3.94 0.22 0.00 0.04 -1.26 -2.25 135.00 137.66 3iss s PRO 83 Ca 0.08 1.28 -0.09 0.00 0.04 0.00 0.00 61.00 62.30 3iss s PRO 83 Cb -0.22 -2.12 0.32 0.00 0.04 0.00 0.00 34.50 32.52 3iss s PRO 83 CO 0.09 -0.30 1.30 0.98 0.04 0.00 0.00 177.00 179.11 3iss n TYR 84 N -0.87 0.21 -0.06 0.56 9.36 -1.26 -1.12 117.16 123.98 3iss n TYR 84 Ca 0.08 1.02 0.20 0.00 3.32 0.00 0.00 57.90 62.53 3iss n TYR 84 Cb 0.53 -0.93 0.64 0.00 -0.63 0.00 0.00 39.34 38.96 3iss n TYR 84 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3iss h ASP 85 N 0.00 0.10 0.00 2.98 3.32 -2.00 -1.19 116.42 119.64 3iss h ASP 85 Ca 0.36 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 3iss h ASP 85 Cb 0.57 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3iss h ASP 85 CO -0.85 0.05 -0.70 -0.07 -1.72 0.00 0.00 179.24 175.95 3iss h LEU 86 N 0.11 0.00 -0.97 1.55 4.07 -1.49 -3.36 115.31 115.21 3iss h LEU 86 Ca 0.30 -0.50 0.15 0.00 0.08 0.00 0.00 57.88 57.91 3iss h LEU 86 Cb 1.03 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 42.68 3iss h LEU 86 CO -0.03 1.16 0.58 0.58 -1.08 0.00 0.00 178.44 179.65 3iss h VAL 87 N -1.00 0.80 0.00 1.22 2.07 -1.21 0.90 116.25 119.03 3iss h VAL 87 Ca -0.17 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 3iss h VAL 87 Cb 0.98 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 3iss h VAL 87 CO -0.10 0.15 -0.03 0.07 0.02 0.00 0.00 177.57 177.68 3iss h LYS 88 N 0.83 0.00 0.00 1.57 2.10 -1.40 -0.78 116.57 118.89 3iss h LYS 88 Ca 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.17 3iss h LYS 88 Cb 0.68 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 3iss h LYS 88 CO -0.33 0.03 -0.54 0.25 -2.00 0.00 0.00 179.45 176.86 3iss n THR 89 N -4.12 0.33 -3.14 0.07 -2.24 0.28 -4.75 114.28 100.70 3iss n THR 89 Ca -0.03 -0.24 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3iss n THR 89 Cb 0.12 -0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.14 0.50 0.16 -0.78 1.75 -0.32 -5.04 119.30 112.43 3iss s MET 90 Ca 0.07 0.33 0.14 0.00 -1.25 0.00 0.00 55.69 54.99 3iss s MET 90 Cb 0.14 0.18 0.68 0.00 2.84 0.00 0.00 34.83 38.68 3iss s MET 90 CO 0.70 -0.89 1.44 2.89 -0.65 0.00 0.00 175.02 178.51 3iss n ARG 91 N 5.15 0.08 0.27 4.11 1.85 -1.09 -1.64 116.66 125.39 3iss n ARG 91 Ca 0.07 0.49 0.18 0.00 -1.00 0.00 0.00 57.85 57.58 3iss n ARG 91 Cb 0.56 -1.72 0.83 0.00 -1.05 0.00 0.00 32.46 31.07 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 2.14 1.00 -1.35 2.89 0.00 -1.96 -2.84 119.26 119.13 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 0.12 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3iss h ALA 92 CO 0.00 0.00 0.97 0.77 0.00 0.00 0.00 179.25 180.99 3iss h SER 93 N 0.00 0.02 -0.37 0.00 0.02 -1.64 0.53 113.55 112.11 3iss h SER 93 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3iss h SER 93 Cb 0.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 3iss h SER 93 CO 0.00 -0.00 0.57 -0.29 -1.14 0.00 0.00 176.83 175.97 3iss h ILE 94 N 0.01 0.19 0.00 3.27 6.09 -1.76 0.76 117.51 126.08 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 2.57 0.51 0.00 0.00 0.47 0.00 0.00 36.82 40.37 3iss h ILE 94 CO -0.02 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.85 3iss n TRP 95 N -3.34 0.34 0.03 2.19 8.01 0.18 -1.91 117.44 122.94 3iss n TRP 95 Ca 0.07 0.15 -0.03 0.00 -1.31 0.00 0.00 57.50 56.38 3iss n TRP 95 Cb 0.72 -0.74 0.22 0.00 -2.01 0.00 0.00 31.31 29.50 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 2.26 1.14 -0.15 6.99 0.00 -1.07 -3.35 119.26 125.08 3iss h ALA 96 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.61 3iss h ALA 96 Cb 0.19 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3iss h ALA 96 CO 0.00 0.54 -0.51 1.25 0.00 0.00 0.00 179.25 180.54 3iss h LEU 97 N 0.39 -1.60 -0.04 0.00 5.85 -1.60 -2.63 115.31 115.67 3iss h LEU 97 Ca 0.06 0.20 0.02 0.00 0.84 0.00 0.00 57.88 59.00 3iss h LEU 97 Cb 0.66 0.64 -0.05 0.00 0.37 0.00 0.00 40.66 42.27 3iss h LEU 97 CO 0.05 -0.47 -0.48 1.23 -0.34 0.00 0.00 178.44 178.44 3iss h GLY 98 N -0.55 -1.16 0.83 3.75 0.00 -1.78 -1.97 103.07 102.19 3iss h GLY 98 Ca 0.05 0.67 0.04 0.00 0.00 0.00 0.00 47.33 48.09 3iss h GLY 98 CO -0.44 -0.26 0.45 -2.55 0.00 0.00 0.00 176.54 173.75 3iss h PRO 99 N -0.57 0.85 -0.42 4.80 0.11 -1.73 -1.24 132.00 133.80 3iss h PRO 99 Ca 0.02 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.12 3iss h PRO 99 Cb 0.62 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 31.50 3iss h PRO 99 CO -0.34 0.56 0.17 -0.07 -0.21 0.00 0.00 178.00 178.11 3iss h LEU 100 N 0.87 0.21 -0.48 2.35 3.38 -1.11 -0.99 115.31 119.55 3iss h LEU 100 Ca 0.30 0.04 -0.14 0.00 0.09 0.00 0.00 57.88 58.17 3iss h LEU 100 Cb 0.06 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iss h LEU 100 CO -0.13 0.16 -0.24 0.58 0.09 0.00 0.00 178.44 178.90 3iss h VAL 101 N 0.35 1.27 -0.87 1.22 2.07 -0.98 -0.23 116.25 119.08 3iss h VAL 101 Ca 0.19 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 3iss h VAL 101 Cb 0.15 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3iss h VAL 101 CO -0.17 0.49 0.43 0.00 0.02 0.00 0.00 177.57 178.34 3iss h ALA 102 N 0.86 1.12 0.07 1.67 0.00 -0.88 -1.77 119.26 120.33 3iss h ALA 102 Ca 0.10 -0.16 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 102 Cb 0.83 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3iss h ALA 102 CO 0.07 0.67 -2.22 -2.13 0.00 0.00 0.00 179.25 175.64 3iss n ARG 103 N -4.31 0.71 0.00 0.00 0.63 -0.41 -4.57 116.66 108.71 3iss n ARG 103 Ca 0.09 0.21 0.05 0.00 -0.92 0.00 0.00 57.85 57.28 3iss n ARG 103 Cb 0.13 -1.62 0.01 0.00 0.45 0.00 0.00 32.46 31.43 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 -3.38 0.00 -0.96 -0.14 3.72 -0.11 -4.99 117.46 111.60 3iss n PHE 104 Ca -0.38 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 3iss n PHE 104 Cb 1.02 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 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 0.77 0.88 3.22 1.37 0.00 -0.66 -4.98 105.19 105.79 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 -0.09 0.90 -0.29 1.61 -2.07 -1.25 -0.98 119.66 117.49 3iss s GLN 106 Ca 0.00 -1.11 -0.20 0.00 -1.82 0.00 0.00 55.36 52.24 3iss s GLN 106 Cb 0.00 0.32 0.17 0.00 -1.09 0.00 0.00 33.01 32.41 3iss s GLN 106 CO 0.00 -0.28 1.19 0.20 -1.32 0.00 0.00 175.29 175.08 3iss s GLY 107 N -2.92 0.27 -0.20 2.60 0.00 -0.57 -2.94 107.32 103.56 3iss s GLY 107 Ca 0.10 3.40 0.01 0.00 0.00 0.00 0.00 44.72 48.23 3iss s GLY 107 CO -0.07 2.37 -0.08 1.20 0.00 0.00 0.00 173.10 176.52 3iss s GLN 108 N 0.74 1.80 -0.05 2.90 1.11 0.04 -0.60 119.66 125.60 3iss s GLN 108 Ca -0.03 -0.81 0.05 0.00 0.01 0.00 0.00 55.36 54.58 3iss s GLN 108 Cb -0.04 -2.37 -0.00 0.00 -1.01 0.00 0.00 33.01 29.59 3iss s GLN 108 CO -0.12 -0.47 -0.20 0.08 0.01 0.00 0.00 175.29 174.59 3iss s VAL 109 N 1.45 1.67 0.26 1.09 1.01 -0.81 -0.33 120.40 124.74 3iss s VAL 109 Ca -0.02 -0.84 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 3iss s VAL 109 Cb -0.17 -1.43 -0.11 0.00 0.00 0.00 0.00 36.38 34.67 3iss s VAL 109 CO -0.08 0.47 1.59 -0.55 0.00 0.00 0.00 175.10 176.53 3iss s SER 110 N 0.02 6.45 -0.14 3.32 0.15 -0.95 -0.31 113.70 122.24 3iss s SER 110 Ca -0.05 2.85 -0.29 0.00 0.70 0.00 0.00 55.95 59.15 3iss s SER 110 Cb -0.13 -2.62 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3iss s SER 110 CO 0.03 -0.88 1.45 -0.22 1.20 0.00 0.00 173.24 174.83 3iss s LEU 111 N -0.03 4.19 0.31 3.45 1.98 0.05 -4.81 118.68 123.82 3iss s LEU 111 Ca 0.65 1.87 -0.30 0.00 -2.89 0.00 0.00 54.13 53.46 3iss s LEU 111 Cb -0.47 -3.54 -0.12 0.00 0.66 0.00 0.00 46.19 42.73 3iss s LEU 111 CO 0.43 -0.89 1.58 -2.65 -1.89 0.00 0.00 176.35 172.93 3iss n PRO 112 N 6.95 2.71 0.00 0.98 -0.02 -1.26 -5.00 135.00 139.36 3iss n PRO 112 Ca 0.16 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.60 3iss n PRO 112 Cb 0.44 -2.74 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3iss n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iss n GLY 113 N 1.89 1.63 3.77 -1.23 0.00 -1.26 -5.01 105.19 104.97 3iss n GLY 113 Ca 0.07 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 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 2.97 0.06 -0.02 0.00 -1.26 -4.94 107.32 104.14 3iss s GLY 114 Ca 0.00 0.96 0.08 0.00 0.00 0.00 0.00 44.72 45.77 3iss s GLY 114 CO 0.00 1.53 -0.22 0.00 0.00 0.00 0.00 173.10 174.42 3iss h THR 116 N 3.97 0.10 0.00 0.00 1.35 -1.96 -3.09 112.91 113.27 3iss h THR 116 Ca -0.48 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3iss h THR 116 Cb 1.15 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3iss h THR 116 CO 0.45 0.02 -0.23 2.30 -0.25 0.00 0.00 175.52 177.81 3iss n ILE 117 N -3.19 0.07 -0.81 6.82 -5.35 -1.26 -4.89 119.36 110.74 3iss n ILE 117 Ca -0.02 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.42 3iss n ILE 117 Cb 0.17 -0.20 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 1.47 0.28 3.71 3.28 0.00 -1.17 -3.46 105.19 109.31 3iss n GLY 118 Ca 0.06 -1.74 -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 3.62 -0.39 4.61 0.00 -1.26 -4.34 121.76 122.94 3iss s ALA 119 Ca 0.00 1.16 0.11 0.00 0.00 0.00 0.00 51.96 53.23 3iss s ALA 119 Cb 0.00 -3.56 0.35 0.00 0.00 0.00 0.00 23.12 19.91 3iss s ALA 119 CO 0.00 -0.66 0.75 0.54 0.00 0.00 0.00 175.76 176.39 3iss n ARG 120 N 4.02 1.17 -1.39 0.00 1.74 -1.26 -5.05 116.66 115.90 3iss n ARG 120 Ca 0.12 -3.51 -0.33 0.00 -0.77 0.00 0.00 57.85 53.36 3iss n ARG 120 Cb 0.42 -1.75 0.09 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.50 2.21 -0.16 5.56 0.04 -1.26 -4.98 135.00 133.90 3iss s PRO 121 Ca 0.41 1.47 0.16 0.00 0.04 0.00 0.00 61.00 63.08 3iss s PRO 121 Cb 0.34 -1.87 0.35 0.00 0.04 0.00 0.00 34.50 33.36 3iss s PRO 121 CO -0.09 -1.72 1.19 1.33 0.04 0.00 0.00 177.00 177.75 3iss n VAL 122 N -3.03 2.03 -0.34 -0.36 0.24 -1.26 -4.78 118.33 110.82 3iss n VAL 122 Ca 0.11 -2.65 0.21 0.00 -2.04 0.00 0.00 64.34 59.97 3iss n VAL 122 Cb 0.52 -0.24 0.45 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 0.44 0.56 0.42 -1.34 2.03 -2.00 -0.62 116.42 115.91 3iss h ASP 123 Ca 0.00 0.14 -0.12 0.00 -0.73 0.00 0.00 57.03 56.33 3iss h ASP 123 Cb 1.02 0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.56 3iss h ASP 123 CO 0.01 0.02 -0.51 -0.07 -1.03 0.00 0.00 179.24 177.66 3iss h LEU 124 N 0.45 0.11 0.21 0.15 3.38 -1.99 0.98 115.31 118.60 3iss h LEU 124 Ca 0.67 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.58 3iss h LEU 124 Cb 1.48 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3iss h LEU 124 CO -0.47 0.60 -0.10 0.45 0.09 0.00 0.00 178.44 179.01 3iss h HIS 125 N 0.08 -0.27 0.10 1.13 3.86 -1.46 -1.80 115.15 116.79 3iss h HIS 125 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3iss h HIS 125 Cb 0.93 0.09 -0.01 0.00 1.06 0.00 0.00 27.41 29.47 3iss h HIS 125 CO 0.01 0.04 -0.13 0.82 0.86 0.00 0.00 177.93 179.53 3iss h ILE 126 N -0.59 0.71 -0.64 2.45 2.04 -1.31 -2.37 117.51 117.81 3iss h ILE 126 Ca -0.03 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.89 3iss h ILE 126 Cb 0.43 0.71 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3iss h ILE 126 CO 0.05 0.00 0.35 -1.28 0.00 0.00 0.00 178.15 177.27 3iss h SER 127 N -0.27 0.52 -0.90 1.72 0.87 -0.85 -1.00 113.55 113.65 3iss h SER 127 Ca 0.01 0.03 0.04 0.00 -1.23 0.00 0.00 61.79 60.64 3iss h SER 127 Cb 0.27 -0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.10 3iss h SER 127 CO -0.05 0.34 0.58 1.23 -0.53 0.00 0.00 176.83 178.39 3iss h GLY 128 N 0.66 1.32 1.16 5.77 0.00 -1.14 -0.66 103.07 110.18 3iss h GLY 128 Ca 0.28 -0.43 -0.18 0.00 0.00 0.00 0.00 47.33 47.00 3iss h GLY 128 CO -0.18 0.35 -0.52 1.41 0.00 0.00 0.00 176.54 177.60 3iss h LEU 129 N 1.10 0.98 -1.22 3.11 3.38 -0.82 -2.29 115.31 119.55 3iss h LEU 129 Ca 0.37 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3iss h LEU 129 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 3iss h LEU 129 CO -0.13 1.32 0.42 -0.33 0.09 0.00 0.00 178.44 179.80 3iss h GLU 130 N 0.69 0.95 0.00 1.13 5.08 -0.92 -1.49 114.58 120.01 3iss h GLU 130 Ca 0.02 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3iss h GLU 130 Cb 1.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3iss h GLU 130 CO 0.12 0.67 -0.06 0.37 -1.00 0.00 0.00 179.01 179.11 3iss h GLN 131 N 0.96 0.00 -0.47 2.33 4.15 -0.86 -1.34 115.11 119.87 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 -0.03 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.66 3iss h GLN 131 CO -0.05 0.06 0.00 1.28 -1.93 0.00 0.00 178.83 178.19 3iss n LEU 132 N -3.18 2.48 0.00 -2.39 4.77 -0.64 -4.75 117.00 113.29 3iss n LEU 132 Ca 0.00 -1.24 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 3iss n LEU 132 Cb 0.34 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3iss n LEU 132 CO 0.29 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3iss n GLY 133 N 1.09 0.63 3.80 -0.72 0.00 -0.51 -1.67 105.19 107.81 3iss n GLY 133 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.31 2.98 -0.19 4.61 0.00 -0.71 -4.83 121.76 121.31 3iss s ALA 134 Ca 0.00 0.60 -0.09 0.00 0.00 0.00 0.00 51.96 52.47 3iss s ALA 134 Cb 0.00 -3.24 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 3iss s ALA 134 CO 0.00 -0.19 0.10 0.99 0.00 0.00 0.00 175.76 176.66 3iss s THR 135 N -1.90 5.18 -0.08 0.00 2.01 0.30 -4.25 115.64 116.89 3iss s THR 135 Ca 0.63 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.75 3iss s THR 135 Cb -0.17 -3.35 0.01 0.00 0.01 0.00 0.00 72.50 69.01 3iss s THR 135 CO 0.21 0.46 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.84 3iss s ILE 136 N 0.28 1.24 0.16 1.82 1.01 -1.26 -1.35 121.20 123.10 3iss s ILE 136 Ca 0.07 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.26 3iss s ILE 136 Cb -0.12 -1.14 -0.05 0.00 0.01 0.00 0.00 42.46 41.16 3iss s ILE 136 CO -0.01 0.38 -0.10 -1.59 0.00 0.00 0.00 174.94 173.63 3iss s LYS 137 N 0.89 1.12 -0.26 2.79 -2.85 -0.42 -4.97 119.74 116.03 3iss s LYS 137 Ca -0.10 -1.49 0.01 0.00 -1.00 0.00 0.00 55.97 53.39 3iss s LYS 137 Cb -0.15 -0.68 0.05 0.00 -2.06 0.00 0.00 37.83 34.99 3iss s LYS 137 CO 0.01 0.07 -0.07 -1.17 0.10 0.00 0.00 175.35 174.28 3iss s LEU 138 N -3.20 3.44 -0.01 2.77 2.96 -1.26 0.16 118.68 123.54 3iss s LEU 138 Ca 0.19 -1.21 0.01 0.00 -0.22 0.00 0.00 54.13 52.90 3iss s LEU 138 Cb 0.02 -1.61 0.00 0.00 0.50 0.00 0.00 46.19 45.10 3iss s LEU 138 CO 0.02 -0.19 -0.04 -1.83 -1.32 0.00 0.00 176.35 172.99 3iss s GLU 139 N 1.20 0.39 -1.59 1.98 -1.05 -0.62 -4.83 118.70 114.19 3iss s GLU 139 Ca -0.05 -0.14 0.00 0.00 -0.15 0.00 0.00 54.97 54.63 3iss s GLU 139 Cb -0.19 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.11 3iss s GLU 139 CO -0.04 0.07 0.00 0.39 0.95 0.00 0.00 175.26 176.63 3iss n GLU 140 N 3.12 -1.83 -1.00 -4.83 1.02 -1.26 -1.29 120.64 114.56 3iss n GLU 140 Ca -0.15 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 3iss n GLU 140 Cb 0.57 -5.55 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 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 -0.95 0.97 3.76 0.62 0.00 -1.26 -5.03 105.19 103.30 3iss n GLY 141 Ca -0.22 0.00 -0.36 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 -3.86 3.43 -0.40 1.61 2.02 -0.42 -0.77 117.35 118.96 3iss s TYR 142 Ca 0.00 0.35 -0.25 0.00 -0.37 0.00 0.00 57.07 56.80 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 0.43 0.89 0.54 -1.57 0.00 0.00 175.55 175.84 3iss s VAL 143 N -0.19 4.58 -0.30 0.71 0.11 0.58 -1.58 120.40 124.31 3iss s VAL 143 Ca 0.10 0.96 -0.08 0.00 -2.93 0.00 0.00 61.98 60.02 3iss s VAL 143 Cb -0.12 -4.34 -0.00 0.00 -1.53 0.00 0.00 36.38 30.39 3iss s VAL 143 CO 0.01 -0.62 0.11 -0.54 -3.33 0.00 0.00 175.10 170.73 3iss s LYS 144 N 3.49 3.25 0.02 1.54 1.02 0.12 -1.92 119.74 127.26 3iss s LYS 144 Ca 0.36 -0.76 0.04 0.00 0.02 0.00 0.00 55.97 55.63 3iss s LYS 144 Cb -0.12 -3.46 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 3iss s LYS 144 CO 0.21 -0.41 -0.09 0.00 -0.92 0.00 0.00 175.35 174.14 3iss s ALA 145 N 1.56 2.93 -0.00 5.17 0.00 0.24 -1.30 121.76 130.36 3iss s ALA 145 Ca 0.04 -1.07 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 3iss s ALA 145 Cb -0.17 -1.04 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3iss s ALA 145 CO 0.04 0.61 0.43 -1.54 0.00 0.00 0.00 175.76 175.30 3iss s SER 146 N -1.47 -0.33 -0.11 0.00 1.04 -0.46 -1.52 113.70 110.86 3iss s SER 146 Ca 0.17 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 56.73 3iss s SER 146 Cb -0.11 0.40 0.04 0.00 0.10 0.00 0.00 66.02 66.45 3iss s SER 146 CO 0.08 -0.56 0.26 0.54 0.98 0.00 0.00 173.24 174.53 3iss s VAL 147 N -1.70 -0.03 -0.59 5.02 0.11 -0.15 -0.54 120.40 122.52 3iss s VAL 147 Ca -0.10 0.11 -0.28 0.00 -2.93 0.00 0.00 61.98 58.78 3iss s VAL 147 Cb -0.03 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 3iss s VAL 147 CO 0.03 0.05 1.43 -0.62 -3.33 0.00 0.00 175.10 172.66 3iss s ASP 148 N 1.01 6.06 0.31 3.54 2.15 -1.26 -4.71 116.67 123.77 3iss s ASP 148 Ca -0.07 0.18 0.00 0.00 0.43 0.00 0.00 52.55 53.09 3iss s ASP 148 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 148 CO -0.07 -1.79 0.00 0.61 -0.17 0.00 0.00 175.17 173.76 3iss n GLY 149 N 5.32 0.64 3.63 2.66 0.00 -1.26 -4.94 105.19 111.24 3iss n GLY 149 Ca 0.12 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.77 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 2.03 0.85 1.61 1.70 -1.26 -4.70 118.95 119.18 3iss s ARG 150 Ca 0.00 -1.84 -0.11 0.00 -0.47 0.00 0.00 55.73 53.31 3iss s ARG 150 Cb 0.00 -1.86 0.10 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 -3.72 2.61 -0.09 -1.89 1.43 -1.26 -4.81 118.68 110.95 3iss s LEU 151 Ca 0.35 1.69 0.05 0.00 -1.03 0.00 0.00 54.13 55.18 3iss s LEU 151 Cb 0.02 -4.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.02 3iss s LEU 151 CO 0.19 -2.43 -0.24 -0.54 0.23 0.00 0.00 176.35 173.55 3iss s LYS 152 N -4.89 2.92 0.44 1.70 1.02 -0.67 -0.14 119.74 120.12 3iss s LYS 152 Ca 0.63 -0.89 -0.23 0.00 0.02 0.00 0.00 55.97 55.50 3iss s LYS 152 Cb -0.18 -2.26 -0.11 0.00 -0.52 0.00 0.00 37.83 34.76 3iss s LYS 152 CO 0.57 0.23 0.85 0.41 -0.92 0.00 0.00 175.35 176.49 3iss n GLY 153 N 3.38 -0.64 3.37 -3.33 0.00 -0.00 -4.59 105.19 103.38 3iss n GLY 153 Ca -0.19 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.37 -0.38 -0.46 4.61 0.00 -1.13 -4.78 121.76 118.26 3iss s ALA 154 Ca 0.65 -0.59 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 3iss s ALA 154 Cb -0.56 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.40 3iss s ALA 154 CO 0.56 -0.68 0.64 -1.58 0.00 0.00 0.00 175.76 174.70 3iss s HIS 155 N -3.91 3.05 -0.22 0.00 2.46 -1.26 -0.89 115.29 114.52 3iss s HIS 155 Ca 0.12 -0.20 -0.01 0.00 0.47 0.00 0.00 55.06 55.44 3iss s HIS 155 Cb 0.02 -3.40 0.02 0.00 -0.13 0.00 0.00 32.58 29.09 3iss s HIS 155 CO -0.03 -0.93 -0.10 0.42 -2.47 0.00 0.00 174.74 171.63 3iss s ILE 156 N 2.78 2.73 -0.31 0.89 1.01 0.90 -4.96 121.20 124.25 3iss s ILE 156 Ca 0.20 -0.87 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 3iss s ILE 156 Cb -0.16 -2.29 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 3iss s ILE 156 CO 0.17 0.36 0.18 -0.69 0.00 0.00 0.00 174.94 174.96 3iss s VAL 157 N 1.35 4.98 -0.03 2.92 1.01 -1.26 -0.31 120.40 129.06 3iss s VAL 157 Ca 0.03 -0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.56 3iss s VAL 157 Cb -0.15 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 3iss s VAL 157 CO -0.07 0.12 0.91 -0.04 0.00 0.00 0.00 175.10 176.02 3iss s MET 158 N 1.69 4.51 0.15 2.72 1.00 -0.34 -4.95 119.30 124.08 3iss s MET 158 Ca 0.06 1.27 -0.17 0.00 0.00 0.00 0.00 55.69 56.85 3iss s MET 158 Cb -0.17 -3.47 -0.01 0.00 0.00 0.00 0.00 34.83 31.19 3iss s MET 158 CO 0.09 -0.05 1.81 0.22 0.00 0.00 0.00 175.02 177.08 3iss h ASP 159 N 6.83 0.41 -4.18 3.03 1.82 -1.93 -3.45 116.42 118.95 3iss h ASP 159 Ca -0.40 -0.01 -0.41 0.00 -0.39 0.00 0.00 57.03 55.82 3iss h ASP 159 Cb 1.21 -0.10 -0.14 0.00 0.68 0.00 0.00 39.33 40.97 3iss h ASP 159 CO 0.76 0.30 -0.59 -1.59 -1.61 0.00 0.00 179.24 176.51 3iss s LYS 160 N -6.16 1.56 -0.23 0.28 -2.85 -1.26 -5.12 119.74 105.96 3iss s LYS 160 Ca -0.13 -1.87 -0.29 0.00 -1.00 0.00 0.00 55.97 52.68 3iss s LYS 160 Cb 0.10 -0.37 0.01 0.00 -2.06 0.00 0.00 37.83 35.51 3iss s LYS 160 CO 0.72 -0.34 1.11 0.08 0.10 0.00 0.00 175.35 177.02 3iss s VAL 161 N -3.58 4.54 -0.06 1.79 1.01 -1.26 -4.98 120.40 117.87 3iss s VAL 161 Ca 0.35 1.85 -0.01 0.00 0.00 0.00 0.00 61.98 64.17 3iss s VAL 161 Cb 0.07 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 32.23 3iss s VAL 161 CO 0.15 -0.22 0.01 -0.55 0.00 0.00 0.00 175.10 174.49 3iss s SER 162 N 1.51 1.27 0.11 3.32 0.15 -1.26 -5.01 113.70 113.79 3iss s SER 162 Ca 0.47 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.89 3iss s SER 162 Cb -0.16 -0.35 -0.06 0.00 -1.71 0.00 0.00 66.02 63.74 3iss s SER 162 CO 0.10 -0.18 1.63 0.58 1.20 0.00 0.00 173.24 176.57 3iss h VAL 163 N 6.32 1.19 -0.16 4.45 2.07 -1.96 -2.04 116.25 126.12 3iss h VAL 163 Ca -0.23 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3iss h VAL 163 Cb 1.13 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 3iss h VAL 163 CO 0.29 0.20 0.06 1.23 0.02 0.00 0.00 177.57 179.36 3iss h GLY 164 N 0.30 0.26 1.25 2.17 0.00 -2.00 -2.15 103.07 102.90 3iss h GLY 164 Ca 0.09 -0.15 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 3iss h GLY 164 CO -0.01 0.14 -0.49 0.00 0.00 0.00 0.00 176.54 176.18 3iss h ALA 165 N 0.89 0.58 -0.93 3.60 0.00 -1.92 -1.20 119.26 120.27 3iss h ALA 165 Ca 0.05 -0.49 0.10 0.00 0.00 0.00 0.00 54.91 54.57 3iss h ALA 165 Cb 0.19 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 165 CO -0.00 0.68 0.57 1.15 0.00 0.00 0.00 179.25 181.64 3iss h THR 166 N 0.63 0.94 -0.22 0.00 2.02 -1.29 -1.00 112.91 114.00 3iss h THR 166 Ca 0.03 -0.32 -0.10 0.00 0.77 0.00 0.00 66.41 66.79 3iss h THR 166 Cb 1.08 -0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.41 3iss h THR 166 CO 0.11 0.17 -0.24 0.58 0.37 0.00 0.00 175.52 176.51 3iss h VAL 167 N 0.94 1.32 -0.02 3.16 2.07 -1.07 -1.78 116.25 120.87 3iss h VAL 167 Ca 0.44 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.57 3iss h VAL 167 Cb 0.39 1.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 3iss h VAL 167 CO -0.24 0.44 -0.14 0.74 0.02 0.00 0.00 177.57 178.38 3iss h THR 168 N 0.23 0.65 -0.15 2.57 2.02 -0.69 -1.51 112.91 116.03 3iss h THR 168 Ca 0.03 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3iss h THR 168 Cb 0.80 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3iss h THR 168 CO 0.06 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.36 3iss h ILE 169 N -0.23 1.24 -0.80 3.11 2.04 -1.24 -2.23 117.51 119.41 3iss h ILE 169 Ca 0.05 -0.79 0.08 0.00 1.00 0.00 0.00 64.86 65.21 3iss h ILE 169 Cb 0.30 1.47 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 3iss h ILE 169 CO -0.15 0.23 0.46 -0.03 0.00 0.00 0.00 178.15 178.66 3iss h MET 170 N 0.01 0.76 -0.17 2.37 4.05 -1.17 -1.22 114.93 119.56 3iss h MET 170 Ca 0.04 -0.05 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3iss h MET 170 Cb 0.35 -0.17 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 3iss h MET 170 CO 0.01 0.50 -0.13 0.00 0.23 0.00 0.00 176.91 177.52 3iss h ALA 172 N 0.65 1.55 0.00 0.00 0.00 -1.04 -2.65 119.26 117.77 3iss h ALA 172 Ca 0.03 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3iss h ALA 172 Cb 0.63 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3iss h ALA 172 CO 0.03 0.34 -0.24 0.00 0.00 0.00 0.00 179.25 179.38 3iss h ALA 173 N 1.64 1.09 0.00 0.00 0.00 -1.18 -3.07 119.26 117.74 3iss h ALA 173 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iss h ALA 173 Cb 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iss h ALA 173 CO -0.00 0.30 0.00 1.79 0.00 0.00 0.00 179.25 181.34 3iss h THR 174 N 0.00 0.00 -0.09 0.00 1.35 -1.47 -1.13 112.91 111.57 3iss h THR 174 Ca -0.00 -0.09 -0.01 0.00 -0.55 0.00 0.00 66.41 65.76 3iss h THR 174 Cb 0.68 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3iss h THR 174 CO 0.03 0.00 -0.06 0.18 -0.25 0.00 0.00 175.52 175.43 3iss n LEU 175 N -2.88 2.91 -4.97 3.87 4.77 -1.16 -2.26 117.00 117.29 3iss n LEU 175 Ca -0.02 -3.20 -0.22 0.00 -0.03 0.00 0.00 56.01 52.54 3iss n LEU 175 Cb 0.11 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 40.75 3iss n LEU 175 CO 0.19 0.81 0.38 0.00 -1.33 0.00 0.00 177.39 177.44 3iss s ALA 176 N -2.93 3.80 -0.38 -1.18 0.00 -0.43 -4.53 121.76 116.11 3iss s ALA 176 Ca 0.36 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 3iss s ALA 176 Cb 0.31 -2.15 0.02 0.00 0.00 0.00 0.00 23.12 21.30 3iss s ALA 176 CO 0.03 -0.76 0.93 -1.21 0.00 0.00 0.00 175.76 174.76 3iss s GLU 177 N -4.79 3.80 0.77 0.00 2.02 0.80 -3.93 118.70 117.36 3iss s GLU 177 Ca 0.56 0.53 0.00 0.00 0.02 0.00 0.00 54.97 56.08 3iss s GLU 177 Cb -0.10 -3.82 0.00 0.00 0.10 0.00 0.00 34.13 30.30 3iss s GLU 177 CO 0.39 -1.00 0.00 0.41 0.02 0.00 0.00 175.26 175.08 3iss n GLY 178 N 4.46 -1.02 3.57 -1.39 0.00 -1.26 -0.82 105.19 108.74 3iss n GLY 178 Ca 0.07 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 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 4.47 -0.08 2.61 2.01 -1.26 -0.01 115.64 123.38 3iss s THR 179 Ca 0.00 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.83 3iss s THR 179 Cb 0.00 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.47 3iss s THR 179 CO 0.00 0.46 0.05 -0.89 -0.69 0.00 0.00 174.62 173.54 3iss s THR 180 N 0.52 4.65 -0.13 -0.82 2.01 0.19 -2.84 115.64 119.21 3iss s THR 180 Ca 0.01 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.84 3iss s THR 180 Cb -0.13 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.40 3iss s THR 180 CO 0.01 0.57 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.77 3iss s ILE 181 N -0.97 1.33 -0.33 1.82 1.01 -0.07 -1.13 121.20 122.87 3iss s ILE 181 Ca 0.15 -0.48 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 3iss s ILE 181 Cb -0.12 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 3iss s ILE 181 CO 0.04 0.42 0.26 -0.63 0.00 0.00 0.00 174.94 175.03 3iss s ILE 182 N 1.58 5.27 -0.09 2.92 1.01 -0.21 -0.07 121.20 131.61 3iss s ILE 182 Ca 0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.52 3iss s ILE 182 Cb -0.13 -3.71 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 3iss s ILE 182 CO -0.10 0.01 0.16 -1.61 0.00 0.00 0.00 174.94 173.40 3iss s GLU 183 N 1.78 3.45 -0.93 2.79 0.41 0.58 -1.72 118.70 125.06 3iss s GLU 183 Ca 0.07 -0.15 -0.06 0.00 -0.41 0.00 0.00 54.97 54.42 3iss s GLU 183 Cb -0.17 -3.17 0.01 0.00 -1.78 0.00 0.00 34.13 29.02 3iss s GLU 183 CO 0.11 0.75 0.82 -1.71 -0.49 0.00 0.00 175.26 174.74 3iss n ASN 184 N 1.76 -5.01 -4.81 -0.19 4.05 -0.28 -1.20 115.26 109.58 3iss n ASN 184 Ca -0.18 -0.37 -0.32 0.00 0.45 0.00 0.00 54.58 54.16 3iss n ASN 184 Cb 0.54 -3.62 0.03 0.00 1.23 0.00 0.00 39.78 37.96 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 -3.22 2.70 0.37 5.20 0.00 -0.30 -4.58 121.76 121.94 3iss s ALA 185 Ca 0.40 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 3iss s ALA 185 Cb -0.18 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 3iss s ALA 185 CO 0.50 -1.01 1.06 0.00 0.00 0.00 0.00 175.76 176.30 3iss s ALA 186 N -2.73 3.16 -1.37 0.00 0.00 -1.26 -4.49 121.76 115.07 3iss s ALA 186 Ca 0.61 0.74 0.15 0.00 0.00 0.00 0.00 51.96 53.46 3iss s ALA 186 Cb -0.15 -3.28 0.43 0.00 0.00 0.00 0.00 23.12 20.12 3iss s ALA 186 CO 0.45 -0.18 1.35 0.54 0.00 0.00 0.00 175.76 177.92 3iss n ARG 187 N 0.25 2.75 -1.54 0.00 3.00 -1.26 -4.64 116.66 115.21 3iss n ARG 187 Ca 0.03 -2.26 -0.48 0.00 -0.01 0.00 0.00 57.85 55.14 3iss n ARG 187 Cb 0.48 -1.39 -0.03 0.00 0.00 0.00 0.00 32.46 31.53 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 0.97 0.92 -0.33 5.56 4.71 -1.26 -4.59 120.64 126.61 3iss n GLU 188 Ca 0.16 0.32 0.21 0.00 -0.01 0.00 0.00 57.16 57.84 3iss n GLU 188 Cb 0.50 -1.67 0.46 0.00 -1.01 0.00 0.00 31.44 29.72 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 2.36 0.46 0.00 3.49 0.11 -1.96 0.41 132.00 136.88 3iss h PRO 189 Ca -0.39 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3iss h PRO 189 Cb 1.37 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 3iss h PRO 189 CO 0.64 0.31 -0.13 0.93 -0.21 0.00 0.00 178.00 179.53 3iss h GLU 190 N 0.48 0.00 -0.04 1.05 3.07 -1.89 -1.24 114.58 116.01 3iss h GLU 190 Ca 0.62 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.29 3iss h GLU 190 Cb 1.39 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.30 3iss h GLU 190 CO -0.37 0.13 -0.80 0.82 -1.40 0.00 0.00 179.01 177.39 3iss h ILE 191 N 0.00 1.42 -0.16 3.13 2.04 -1.25 -1.77 117.51 120.92 3iss h ILE 191 Ca -0.00 -2.33 -0.01 0.00 1.00 0.00 0.00 64.86 63.52 3iss h ILE 191 Cb 0.31 2.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.65 3iss h ILE 191 CO 0.02 0.69 0.04 0.58 0.00 0.00 0.00 178.15 179.48 3iss h VAL 192 N 0.21 1.19 -0.45 1.67 2.07 -1.21 -1.63 116.25 118.09 3iss h VAL 192 Ca -0.04 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.88 3iss h VAL 192 Cb 1.40 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.44 3iss h VAL 192 CO 0.13 0.18 0.29 -0.78 0.02 0.00 0.00 177.57 177.41 3iss h ASP 193 N 0.06 0.54 -0.82 0.57 3.58 -1.21 0.32 116.42 119.46 3iss h ASP 193 Ca 0.05 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3iss h ASP 193 Cb 0.24 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.12 3iss h ASP 193 CO -0.00 0.41 0.52 0.74 -2.88 0.00 0.00 179.24 178.03 3iss h THR 194 N 0.61 1.22 -0.63 2.25 2.02 -1.27 -0.83 112.91 116.28 3iss h THR 194 Ca 0.16 -0.45 -0.07 0.00 0.77 0.00 0.00 66.41 66.83 3iss h THR 194 Cb -0.03 0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.39 3iss h THR 194 CO -0.03 0.22 0.14 0.00 0.37 0.00 0.00 175.52 176.22 3iss h ALA 195 N 1.28 0.84 -0.17 6.16 0.00 -0.73 -1.77 119.26 124.87 3iss h ALA 195 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3iss h ALA 195 Cb -0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3iss h ALA 195 CO -0.06 0.56 -0.21 -0.91 0.00 0.00 0.00 179.25 178.63 3iss h ASN 196 N 0.94 0.28 -0.11 0.00 2.35 -0.39 -0.42 115.58 118.24 3iss h ASN 196 Ca 0.20 -0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3iss h ASN 196 Cb 0.38 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 38.67 3iss h ASN 196 CO 0.00 0.50 0.00 0.15 -1.65 0.00 0.00 177.43 176.44 3iss h PHE 197 N 0.27 0.22 -0.42 1.19 3.57 -1.03 -2.45 116.94 118.28 3iss h PHE 197 Ca 0.05 -0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3iss h PHE 197 Cb 0.52 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 3iss h PHE 197 CO 0.01 0.44 0.12 -0.07 -2.23 0.00 0.00 178.31 176.57 3iss h LEU 198 N -0.07 0.08 -1.08 0.59 3.38 -0.89 -1.62 115.31 115.70 3iss h LEU 198 Ca 0.03 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3iss h LEU 198 Cb 0.35 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 3iss h LEU 198 CO 0.01 0.08 0.62 0.40 0.09 0.00 0.00 178.44 179.63 3iss h ILE 199 N 0.26 1.07 -0.40 1.22 2.04 -1.10 -1.04 117.51 119.55 3iss h ILE 199 Ca 0.20 -0.38 0.05 0.00 1.00 0.00 0.00 64.86 65.73 3iss h ILE 199 Cb 0.22 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 3iss h ILE 199 CO -0.23 0.20 0.27 0.74 0.00 0.00 0.00 178.15 179.13 3iss h THR 200 N 1.09 0.98 -0.00 -0.27 2.02 -0.80 0.33 112.91 116.27 3iss h THR 200 Ca 0.41 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3iss h THR 200 Cb 0.20 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3iss h THR 200 CO -0.16 0.06 -0.08 0.18 0.37 0.00 0.00 175.52 175.89 3iss n LEU 201 N -4.48 0.29 0.00 2.58 4.77 -0.48 -4.87 117.00 114.80 3iss n LEU 201 Ca 0.05 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3iss n LEU 201 Cb 0.21 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3iss n LEU 201 CO 0.35 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 202 N 1.30 1.31 3.86 -0.72 0.00 0.10 -1.20 105.19 109.85 3iss n GLY 202 Ca 0.14 0.00 -0.31 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 2.99 -0.39 4.61 0.00 -0.68 -4.95 121.76 121.34 3iss s ALA 203 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 51.86 3iss s ALA 203 Cb 0.00 -3.08 0.11 0.00 0.00 0.00 0.00 23.12 20.14 3iss s ALA 203 CO 0.00 -0.87 0.13 0.15 0.00 0.00 0.00 175.76 175.17 3iss s LYS 204 N -5.19 1.71 -0.02 0.00 1.02 -1.26 -4.32 119.74 111.68 3iss s LYS 204 Ca 0.56 -1.95 0.04 0.00 0.02 0.00 0.00 55.97 54.65 3iss s LYS 204 Cb -0.11 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3iss s LYS 204 CO 0.54 -1.00 -0.15 0.42 -0.92 0.00 0.00 175.35 174.24 3iss s ILE 205 N 0.84 1.18 0.01 2.17 1.01 -1.26 -1.53 121.20 123.62 3iss s ILE 205 Ca 0.11 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3iss s ILE 205 Cb -0.21 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.25 3iss s ILE 205 CO -0.06 0.34 0.04 -0.94 0.00 0.00 0.00 174.94 174.32 3iss s SER 206 N -0.16 0.14 0.00 3.58 1.04 -0.07 -4.89 113.70 113.33 3iss s SER 206 Ca 0.02 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3iss s SER 206 Cb -0.08 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3iss s SER 206 CO 0.00 -0.31 0.00 0.61 0.98 0.00 0.00 173.24 174.53 3iss n GLY 207 N 1.64 0.59 3.65 7.32 0.00 -1.26 0.23 105.19 117.37 3iss n GLY 207 Ca -0.23 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.32 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 1.91 -0.05 1.61 0.00 -1.26 -0.77 117.38 116.82 3iss n GLN 208 Ca 0.00 0.69 0.00 0.00 0.00 0.00 0.00 57.00 57.69 3iss n GLN 208 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 30.24 27.83 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 3.02 0.51 3.73 2.61 0.00 -1.26 -4.92 105.19 108.88 3iss n GLY 209 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 2.03 -1.28 2.61 -4.23 0.05 -4.80 115.64 107.80 3iss s THR 210 Ca 0.00 -1.78 0.18 0.00 -1.18 0.00 0.00 61.69 58.91 3iss s THR 210 Cb 0.00 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.29 3iss s THR 210 CO 0.00 0.00 1.56 -0.90 -0.54 0.00 0.00 174.62 174.74 3iss n ASP 211 N -1.23 0.00 -3.97 3.99 5.68 -1.26 -4.58 116.55 115.17 3iss n ASP 211 Ca -0.04 0.18 -0.30 0.00 -0.50 0.00 0.00 54.79 54.13 3iss n ASP 211 Cb 0.65 -0.36 -0.16 0.00 -1.14 0.00 0.00 41.12 40.12 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 -2.72 1.89 -0.16 0.11 3.52 -1.26 -1.13 118.95 119.20 3iss s ARG 212 Ca 0.14 -0.78 -0.04 0.00 -0.13 0.00 0.00 55.73 54.93 3iss s ARG 212 Cb 0.12 -2.34 -0.03 0.00 -1.56 0.00 0.00 34.95 31.15 3iss s ARG 212 CO 0.29 -0.43 -0.04 0.42 -0.81 0.00 0.00 175.30 174.73 3iss s ILE 213 N 1.45 3.84 -0.18 4.11 1.01 -0.70 -4.31 121.20 126.41 3iss s ILE 213 Ca -0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 3iss s ILE 213 Cb -0.16 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.61 3iss s ILE 213 CO -0.08 0.48 -0.05 -0.69 0.00 0.00 0.00 174.94 174.60 3iss s VAL 214 N 0.48 3.52 -0.15 2.92 1.01 0.14 -1.05 120.40 127.27 3iss s VAL 214 Ca -0.03 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3iss s VAL 214 Cb -0.14 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.69 3iss s VAL 214 CO 0.03 0.46 -0.21 -0.63 0.00 0.00 0.00 175.10 174.75 3iss s ILE 215 N 0.89 2.09 -0.30 2.22 1.09 -0.28 -0.90 121.20 126.01 3iss s ILE 215 Ca -0.01 -0.96 -0.11 0.00 -1.10 0.00 0.00 60.65 58.47 3iss s ILE 215 Cb -0.15 -1.84 -0.03 0.00 -1.06 0.00 0.00 42.46 39.38 3iss s ILE 215 CO 0.01 0.55 0.19 -1.61 -0.10 0.00 0.00 174.94 173.98 3iss s GLU 216 N 0.92 3.66 0.47 2.79 2.02 -0.58 -0.64 118.70 127.35 3iss s GLU 216 Ca -0.04 -0.52 -0.24 0.00 0.02 0.00 0.00 54.97 54.19 3iss s GLU 216 Cb -0.15 -3.67 -0.08 0.00 0.10 0.00 0.00 34.13 30.33 3iss s GLU 216 CO -0.04 -0.32 1.22 0.41 0.02 0.00 0.00 175.26 176.55 3iss n GLY 217 N 5.05 0.39 3.54 -1.39 0.00 0.99 -4.18 105.19 109.58 3iss n GLY 217 Ca -0.14 0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.27 0.76 -0.26 1.61 -7.23 -0.96 -4.68 120.40 108.37 3iss s VAL 218 Ca 0.65 -2.00 0.22 0.00 -1.81 0.00 0.00 61.98 59.04 3iss s VAL 218 Cb -0.48 -2.39 -0.23 0.00 0.56 0.00 0.00 36.38 33.84 3iss s VAL 218 CO 0.55 0.00 0.72 -1.84 -0.31 0.00 0.00 175.10 174.21 3iss n GLU 219 N -0.93 0.52 -3.52 4.82 0.28 -1.26 -4.42 120.64 116.14 3iss n GLU 219 Ca -0.07 -0.09 -0.14 0.00 -0.16 0.00 0.00 57.16 56.70 3iss n GLU 219 Cb 0.65 -1.59 -0.05 0.00 1.43 0.00 0.00 31.44 31.89 3iss n GLU 219 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 3iss s ARG 220 N -3.39 0.93 0.08 3.44 1.70 -1.26 -5.05 118.95 115.41 3iss s ARG 220 Ca -0.03 0.04 0.08 0.00 -0.47 0.00 0.00 55.73 55.35 3iss s ARG 220 Cb 0.13 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3iss s ARG 220 CO 0.87 -0.33 -0.16 -0.51 -1.08 0.00 0.00 175.30 174.09 3iss s LEU 221 N -1.58 2.78 0.00 -1.89 1.43 -1.26 -4.94 118.68 113.21 3iss s LEU 221 Ca -0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3iss s LEU 221 Cb -0.00 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.60 3iss s LEU 221 CO 0.02 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.42 3iss n GLY 222 N 1.06 1.73 0.00 -3.19 0.00 -0.34 -1.68 105.19 102.77 3iss n GLY 222 Ca -0.15 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 5.10 0.00 -0.02 0.00 -1.26 -3.34 105.19 110.67 3iss n GLY 223 Ca 0.00 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.07 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 3.28 -0.11 3.02 -0.02 0.00 -1.01 -4.58 105.19 105.77 3iss n GLY 224 Ca 0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 0.93 -0.08 1.61 1.01 -1.26 -0.99 120.40 118.98 3iss s VAL 225 Ca 0.00 -0.43 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 3iss s VAL 225 Cb 0.00 -0.83 0.03 0.00 0.00 0.00 0.00 36.38 35.58 3iss s VAL 225 CO 0.00 0.29 0.20 -0.47 0.00 0.00 0.00 175.10 175.12 3iss s TYR 226 N 0.26 -0.23 -0.22 5.22 5.04 -0.83 -5.00 117.35 121.59 3iss s TYR 226 Ca -0.05 0.58 -0.10 0.00 -2.44 0.00 0.00 57.07 55.06 3iss s TYR 226 Cb -0.10 0.04 -0.05 0.00 0.35 0.00 0.00 41.96 42.20 3iss s TYR 226 CO 0.01 -0.14 0.13 0.50 -1.34 0.00 0.00 175.55 174.71 3iss s ARG 227 N 0.54 4.10 0.27 4.97 3.52 -1.26 -0.40 118.95 130.68 3iss s ARG 227 Ca -0.04 -0.26 -0.29 0.00 -0.13 0.00 0.00 55.73 55.01 3iss s ARG 227 Cb -0.05 -3.45 -0.09 0.00 -1.56 0.00 0.00 34.95 29.80 3iss s ARG 227 CO -0.03 0.18 1.11 0.08 -0.81 0.00 0.00 175.30 175.83 3iss s VAL 228 N 0.70 3.50 0.91 7.11 1.01 -0.84 -4.95 120.40 127.85 3iss s VAL 228 Ca 0.07 1.49 -0.12 0.00 0.00 0.00 0.00 61.98 63.42 3iss s VAL 228 Cb -0.12 -3.95 0.14 0.00 0.00 0.00 0.00 36.38 32.45 3iss s VAL 228 CO 0.01 0.34 1.09 -1.48 0.00 0.00 0.00 175.10 175.07 3iss s LEU 229 N -1.32 2.19 0.65 3.92 2.34 -1.26 -4.68 118.68 120.52 3iss s LEU 229 Ca 0.45 1.51 -0.16 0.00 0.06 0.00 0.00 54.13 56.00 3iss s LEU 229 Cb -0.32 -3.90 -0.00 0.00 -0.56 0.00 0.00 46.19 41.41 3iss s LEU 229 CO 0.41 -2.76 1.14 -2.84 -1.06 0.00 0.00 176.35 171.23 3iss s PRO 230 N -4.89 2.74 -0.49 1.48 0.02 -1.26 -0.49 135.00 132.11 3iss s PRO 230 Ca 0.64 1.52 -0.26 0.00 0.02 0.00 0.00 61.00 62.92 3iss s PRO 230 Cb -0.19 -1.93 0.03 0.00 0.02 0.00 0.00 34.50 32.43 3iss s PRO 230 CO 0.57 -1.32 0.97 0.34 -0.33 0.00 0.00 177.00 177.23 3iss s ASP 231 N -2.31 6.48 0.35 2.53 -1.08 -0.83 -4.27 116.67 117.55 3iss s ASP 231 Ca 0.70 0.06 0.12 0.00 -0.52 0.00 0.00 52.55 52.91 3iss s ASP 231 Cb -0.23 -2.46 0.66 0.00 -1.46 0.00 0.00 42.92 39.42 3iss s ASP 231 CO 0.40 -1.13 1.79 0.08 0.52 0.00 0.00 175.17 176.83 3iss h ARG 232 N 9.17 0.01 -0.25 4.34 0.11 -1.93 -1.79 114.38 124.04 3iss h ARG 232 Ca -0.24 -0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.74 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 1.06 0.42 -0.21 0.82 0.10 0.00 0.00 179.97 182.16 3iss h ILE 233 N 0.01 1.31 -0.62 0.08 1.08 -1.95 -0.30 117.51 117.11 3iss h ILE 233 Ca -0.00 -1.35 -0.03 0.00 -0.39 0.00 0.00 64.86 63.09 3iss h ILE 233 Cb 0.72 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 3iss h ILE 233 CO 0.05 0.42 0.28 -0.08 -0.69 0.00 0.00 178.15 178.14 3iss h GLU 234 N 0.31 0.91 -0.34 2.37 4.81 -1.92 -0.64 114.58 120.08 3iss h GLU 234 Ca 0.05 -0.14 0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3iss h GLU 234 Cb 0.75 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 3iss h GLU 234 CO 0.05 0.74 0.05 1.15 -0.73 0.00 0.00 179.01 180.27 3iss h THR 235 N 0.86 0.80 -0.83 0.32 2.02 -1.23 -2.39 112.91 112.46 3iss h THR 235 Ca 0.21 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 3iss h THR 235 Cb 0.15 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.15 3iss h THR 235 CO -0.02 0.03 0.38 1.23 0.37 0.00 0.00 175.52 177.50 3iss h GLY 236 N 0.16 1.29 1.04 2.16 0.00 -0.73 -1.90 103.07 105.10 3iss h GLY 236 Ca 0.16 -0.66 0.00 0.00 0.00 0.00 0.00 47.33 46.83 3iss h GLY 236 CO -0.24 0.63 0.60 -0.84 0.00 0.00 0.00 176.54 176.69 3iss h THR 237 N 1.19 1.25 0.12 4.70 2.02 -0.65 -0.74 112.91 120.79 3iss h THR 237 Ca 0.28 -0.52 -0.29 0.00 0.77 0.00 0.00 66.41 66.66 3iss h THR 237 Cb 0.15 -0.11 0.02 0.00 -1.74 0.00 0.00 68.15 66.47 3iss h THR 237 CO -0.03 0.26 -1.22 -0.26 0.37 0.00 0.00 175.52 174.63 3iss h PHE 238 N 1.30 0.87 -0.88 3.16 0.04 -1.28 -0.82 116.94 119.34 3iss h PHE 238 Ca 0.34 -0.56 0.08 0.00 2.80 0.00 0.00 57.97 60.64 3iss h PHE 238 Cb -0.09 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 37.92 3iss h PHE 238 CO 0.00 1.40 0.53 -0.07 -0.60 0.00 0.00 178.31 179.58 3iss h LEU 239 N 0.23 0.81 -0.38 1.54 3.38 -1.18 -1.72 115.31 117.99 3iss h LEU 239 Ca -0.17 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 57.68 3iss h LEU 239 Cb 1.90 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.51 3iss h LEU 239 CO 0.23 0.49 -0.35 0.58 0.09 0.00 0.00 178.44 179.48 3iss h VAL 240 N 0.93 1.28 -0.84 1.22 2.07 -1.07 -1.91 116.25 117.93 3iss h VAL 240 Ca 0.40 -1.52 0.15 0.00 0.82 0.00 0.00 66.70 66.56 3iss h VAL 240 Cb 0.27 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 3iss h VAL 240 CO -0.21 0.51 0.41 0.00 0.02 0.00 0.00 177.57 178.30 3iss h ALA 241 N 0.77 1.26 -0.11 1.67 0.00 -0.54 -1.37 119.26 120.94 3iss h ALA 241 Ca 0.06 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3iss h ALA 241 Cb 0.94 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 3iss h ALA 241 CO 0.09 -0.14 -0.06 0.00 0.00 0.00 0.00 179.25 179.14 3iss h ALA 242 N 1.57 0.16 0.00 0.00 0.00 -1.13 -3.01 119.26 116.86 3iss h ALA 242 Ca 0.47 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3iss h ALA 242 Cb 0.70 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iss h ALA 242 CO -0.39 -0.06 -0.05 0.00 0.00 0.00 0.00 179.25 178.76 3iss h ALA 243 N 0.65 1.75 0.00 0.00 0.00 -0.57 -1.42 119.26 119.67 3iss h ALA 243 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iss h ALA 243 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iss h ALA 243 CO 0.02 0.06 -1.11 0.44 0.00 0.00 0.00 179.25 178.65 3iss n ILE 244 N -4.23 0.52 -0.30 0.00 -5.35 -0.59 -3.85 119.36 105.56 3iss n ILE 244 Ca -0.03 -0.52 0.11 0.00 -0.27 0.00 0.00 62.75 62.04 3iss n ILE 244 Cb 0.13 -0.27 0.32 0.00 -1.74 0.00 0.00 39.64 38.08 3iss n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3iss n SER 245 N -2.58 3.93 -3.36 7.28 3.41 -0.84 -4.93 113.62 116.53 3iss n SER 245 Ca -0.00 -2.07 -0.24 0.00 -0.26 0.00 0.00 58.87 56.29 3iss n SER 245 Cb 0.54 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.04 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 1.49 -5.47 0.00 4.33 1.74 -1.05 -4.48 116.66 113.21 3iss n ARG 246 Ca 0.24 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 58.08 3iss n ARG 246 Cb 0.64 -5.66 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 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 -1.61 3.69 3.33 -0.13 0.00 -0.59 -4.12 105.19 105.76 3iss n GLY 247 Ca -0.04 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 3iss n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iss s LYS 248 N 2.51 0.51 -0.04 1.61 2.20 -1.22 -2.17 119.74 123.13 3iss s LYS 248 Ca 0.00 0.62 -0.13 0.00 -0.36 0.00 0.00 55.97 56.10 3iss s LYS 248 Cb 0.00 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.58 3iss s LYS 248 CO 0.00 -0.07 0.29 -1.50 -0.36 0.00 0.00 175.35 173.71 3iss s ILE 249 N 0.30 0.04 -0.11 5.43 2.07 -0.30 -1.42 121.20 127.21 3iss s ILE 249 Ca -0.01 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 58.89 3iss s ILE 249 Cb -0.03 -0.55 -0.00 0.00 0.13 0.00 0.00 42.46 42.01 3iss s ILE 249 CO -0.00 -0.20 -0.20 -0.63 -1.91 0.00 0.00 174.94 171.99 3iss s ILE 250 N -0.92 2.39 -0.23 2.00 -1.09 -0.60 -1.32 121.20 121.43 3iss s ILE 250 Ca -0.10 -0.90 -0.09 0.00 -2.23 0.00 0.00 60.65 57.34 3iss s ILE 250 Cb -0.05 -1.95 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3iss s ILE 250 CO 0.03 0.55 0.11 0.00 -1.23 0.00 0.00 174.94 174.39 3iss s ARG 252 N 1.13 3.03 -1.02 0.00 1.81 0.61 -2.01 118.95 122.50 3iss s ARG 252 Ca 0.06 -0.67 -0.03 0.00 -1.72 0.00 0.00 55.73 53.36 3iss s ARG 252 Cb -0.14 -2.79 0.00 0.00 -0.45 0.00 0.00 34.95 31.57 3iss s ARG 252 CO 0.04 0.56 0.87 0.09 -0.68 0.00 0.00 175.30 176.18 3iss n ASN 253 N 0.20 -3.67 -4.86 0.23 4.13 -0.70 -0.68 115.26 109.91 3iss n ASN 253 Ca -0.08 -0.47 -0.21 0.00 1.68 0.00 0.00 54.58 55.51 3iss n ASN 253 Cb 0.52 -4.17 -0.03 0.00 -1.54 0.00 0.00 39.78 34.56 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 -3.27 3.93 -0.46 5.41 0.00 -0.20 -4.45 121.76 122.71 3iss s ALA 254 Ca 0.22 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.45 3iss s ALA 254 Cb -0.10 -1.09 0.15 0.00 0.00 0.00 0.00 23.12 22.08 3iss s ALA 254 CO 0.58 -0.09 0.29 -1.14 0.00 0.00 0.00 175.76 175.40 3iss s GLN 255 N -4.05 1.25 0.31 0.00 0.74 -1.26 -4.23 119.66 112.43 3iss s GLN 255 Ca 0.44 -2.11 0.06 0.00 0.05 0.00 0.00 55.36 53.80 3iss s GLN 255 Cb -0.05 -2.12 0.73 0.00 1.10 0.00 0.00 33.01 32.67 3iss s GLN 255 CO 0.27 -1.24 1.81 -1.35 -0.55 0.00 0.00 175.29 174.23 3iss h PRO 256 N 6.34 0.77 0.00 1.67 0.11 -1.87 -1.69 132.00 137.33 3iss h PRO 256 Ca 0.09 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3iss h PRO 256 Cb 0.91 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3iss h PRO 256 CO 0.46 0.51 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 3iss n ASP 257 N -4.68 0.00 0.01 -2.05 5.68 -1.26 -1.09 116.55 113.16 3iss n ASP 257 Ca 0.21 0.17 0.11 0.00 -0.50 0.00 0.00 54.79 54.79 3iss n ASP 257 Cb 0.51 -0.21 0.14 0.00 -1.14 0.00 0.00 41.12 40.42 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 -1.21 0.04 -1.68 2.12 -1.04 -0.63 -4.40 114.28 107.47 3iss n THR 258 Ca 0.01 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 62.03 3iss n THR 258 Cb 0.01 0.38 0.10 0.00 -1.82 0.00 0.00 70.33 69.01 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 -1.60 1.64 -0.07 -4.42 4.77 -0.25 -4.91 117.00 112.16 3iss n LEU 259 Ca 0.05 -2.60 -0.11 0.00 -0.03 0.00 0.00 56.01 53.32 3iss n LEU 259 Cb 0.35 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 3iss n LEU 259 CO 0.37 0.74 0.58 0.44 -1.33 0.00 0.00 177.39 178.20 3iss h ASP 260 N 0.43 -1.35 -0.52 -1.43 3.32 -1.77 -0.47 116.42 114.63 3iss h ASP 260 Ca -0.04 0.20 0.08 0.00 0.02 0.00 0.00 57.03 57.28 3iss h ASP 260 Cb 1.26 0.57 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 3iss h ASP 260 CO 0.02 -0.39 0.17 0.00 -1.72 0.00 0.00 179.24 177.31 3iss h ALA 261 N 0.31 0.63 -0.32 3.45 0.00 -1.89 -1.47 119.26 119.97 3iss h ALA 261 Ca 0.11 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3iss h ALA 261 Cb 0.60 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iss h ALA 261 CO -0.49 -0.24 0.07 0.28 0.00 0.00 0.00 179.25 178.87 3iss h VAL 262 N 0.33 1.23 -0.66 0.00 2.07 -1.77 -2.29 116.25 115.17 3iss h VAL 262 Ca 0.26 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3iss h VAL 262 Cb 0.30 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3iss h VAL 262 CO -0.28 0.25 0.30 -0.07 0.02 0.00 0.00 177.57 177.79 3iss h LEU 263 N 0.35 0.87 -0.93 2.57 3.38 -0.88 -1.49 115.31 119.18 3iss h LEU 263 Ca 0.10 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.95 3iss h LEU 263 Cb 0.32 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 3iss h LEU 263 CO 0.00 0.78 0.61 0.00 0.09 0.00 0.00 178.44 179.92 3iss h ALA 264 N 1.13 1.21 -0.18 1.53 0.00 -1.18 -1.40 119.26 120.37 3iss h ALA 264 Ca 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 3iss h ALA 264 Cb 0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3iss h ALA 264 CO -0.02 0.52 -0.46 -0.22 0.00 0.00 0.00 179.25 179.06 3iss h LYS 265 N 1.21 0.45 -0.54 0.00 1.63 -1.02 -2.35 116.57 115.96 3iss h LYS 265 Ca 0.36 -0.25 -0.10 0.00 -0.85 0.00 0.00 60.65 59.81 3iss h LYS 265 Cb -0.06 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3iss h LYS 265 CO -0.10 0.82 -0.07 -0.07 -3.45 0.00 0.00 179.45 176.57 3iss h LEU 266 N 0.37 1.00 -0.48 5.20 3.38 -0.74 -1.94 115.31 122.09 3iss h LEU 266 Ca 0.02 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3iss h LEU 266 Cb 0.95 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 3iss h LEU 266 CO 0.08 1.10 0.25 0.03 0.09 0.00 0.00 178.44 179.99 3iss h ARG 267 N 0.87 0.48 -0.05 1.13 3.08 -1.14 -1.20 114.38 117.56 3iss h ARG 267 Ca 0.14 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3iss h ARG 267 Cb 0.63 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3iss h ARG 267 CO 0.04 0.32 0.05 -0.44 -1.07 0.00 0.00 179.97 178.87 3iss h ASP 268 N 0.49 0.00 0.47 7.04 3.32 -1.00 0.47 116.42 127.21 3iss h ASP 268 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3iss h ASP 268 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3iss h ASP 268 CO -0.14 0.00 -0.07 0.00 -1.72 0.00 0.00 179.24 177.31 3iss n ALA 269 N -2.40 2.65 0.00 3.45 0.00 -0.53 -4.73 120.51 118.95 3iss n ALA 269 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 3iss n ALA 269 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.29 1.13 3.86 0.00 0.00 0.16 0.02 105.19 111.64 3iss n GLY 270 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 3.33 -0.41 4.61 0.00 -0.75 -4.89 121.76 121.65 3iss s ALA 271 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3iss s ALA 271 Cb 0.00 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.41 3iss s ALA 271 CO 0.00 0.25 0.27 0.34 0.00 0.00 0.00 175.76 176.62 3iss s ASP 272 N -2.50 5.87 -0.10 0.00 2.15 -0.38 -4.42 116.67 117.30 3iss s ASP 272 Ca 0.53 -1.14 0.04 0.00 0.43 0.00 0.00 52.55 52.42 3iss s ASP 272 Cb -0.10 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 3iss s ASP 272 CO 0.21 -0.48 -0.24 -0.63 -0.17 0.00 0.00 175.17 173.86 3iss s ILE 273 N 1.57 2.04 0.10 4.11 1.01 -1.26 -0.72 121.20 128.05 3iss s ILE 273 Ca 0.03 -1.01 0.09 0.00 0.00 0.00 0.00 60.65 59.76 3iss s ILE 273 Cb -0.21 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3iss s ILE 273 CO 0.07 0.56 -0.23 -1.61 0.00 0.00 0.00 174.94 173.73 3iss s GLU 274 N 0.37 1.23 -0.01 2.79 2.02 -0.81 -4.98 118.70 119.31 3iss s GLU 274 Ca -0.18 -1.19 0.06 0.00 0.02 0.00 0.00 54.97 53.67 3iss s GLU 274 Cb -0.18 -1.54 -0.01 0.00 0.10 0.00 0.00 34.13 32.50 3iss s GLU 274 CO 0.08 0.36 -0.18 0.14 0.02 0.00 0.00 175.26 175.69 3iss s VAL 275 N -1.10 1.40 0.00 2.63 -7.23 -1.26 -0.18 120.40 114.66 3iss s VAL 275 Ca 0.09 -0.79 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3iss s VAL 275 Cb -0.10 -1.17 0.00 0.00 0.56 0.00 0.00 36.38 35.67 3iss s VAL 275 CO 0.04 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 3iss n GLY 276 N 2.57 2.61 0.19 2.32 0.00 -0.06 -4.99 105.19 107.82 3iss n GLY 276 Ca -0.15 -2.02 0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 0.00 1.61 4.81 -2.01 -3.38 114.58 115.61 3iss h GLU 277 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3iss h GLU 277 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 3iss h GLU 277 CO 0.00 0.08 -0.61 -0.40 -0.73 0.00 0.00 179.01 177.35 3iss n ASP 278 N -3.04 0.13 -3.92 1.04 5.75 -1.26 -4.71 116.55 110.53 3iss n ASP 278 Ca 0.03 -1.89 -0.09 0.00 -0.01 0.00 0.00 54.79 52.83 3iss n ASP 278 Cb 0.57 -0.07 -0.09 0.00 -1.03 0.00 0.00 41.12 40.50 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 0.00 0.20 -0.02 2.11 1.48 -1.26 -1.04 118.94 120.42 3iss s TRP 279 Ca 0.15 -0.52 0.03 0.00 -1.06 0.00 0.00 56.10 54.69 3iss s TRP 279 Cb 0.17 -0.14 -0.00 0.00 -1.16 0.00 0.00 33.47 32.33 3iss s TRP 279 CO -0.07 -0.39 -0.11 0.42 -4.06 0.00 0.00 176.95 172.74 3iss s ILE 280 N -2.78 0.92 0.08 0.66 1.01 -0.85 -0.88 121.20 119.35 3iss s ILE 280 Ca -0.03 -0.46 0.08 0.00 0.00 0.00 0.00 60.65 60.24 3iss s ILE 280 Cb -0.00 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.65 3iss s ILE 280 CO -0.05 0.27 -0.20 -0.94 0.00 0.00 0.00 174.94 174.02 3iss s SER 281 N -0.04 3.70 -0.03 3.58 1.04 0.75 -0.64 113.70 122.05 3iss s SER 281 Ca 0.00 -0.53 -0.01 0.00 0.48 0.00 0.00 55.95 55.89 3iss s SER 281 Cb -0.07 -0.50 0.03 0.00 0.10 0.00 0.00 66.02 65.58 3iss s SER 281 CO 0.00 0.22 0.07 -0.22 0.98 0.00 0.00 173.24 174.29 3iss s LEU 282 N -1.74 0.95 -0.07 2.42 0.20 -0.44 -1.92 118.68 118.08 3iss s LEU 282 Ca 0.15 0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.11 3iss s LEU 282 Cb -0.10 0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.74 3iss s LEU 282 CO 0.07 -0.14 -0.09 -0.62 -0.29 0.00 0.00 176.35 175.28 3iss s ASP 283 N 1.13 1.57 0.06 3.68 -1.08 0.10 -1.15 116.67 120.97 3iss s ASP 283 Ca -0.09 -0.24 0.24 0.00 -0.52 0.00 0.00 52.55 51.95 3iss s ASP 283 Cb -0.13 -0.70 0.36 0.00 -1.46 0.00 0.00 42.92 41.00 3iss s ASP 283 CO -0.04 -0.02 1.31 0.23 0.52 0.00 0.00 175.17 177.17 3iss n MET 284 N 4.10 0.18 -3.90 4.34 2.81 -0.92 -1.24 117.12 122.48 3iss n MET 284 Ca -0.21 0.04 -0.26 0.00 -1.81 0.00 0.00 57.70 55.45 3iss n MET 284 Cb 0.51 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.84 -1.85 -0.54 2.03 8.25 -1.26 -1.47 115.22 118.53 3iss n HIS 285 Ca 0.04 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.31 3iss n HIS 285 Cb 0.40 -3.90 0.00 0.00 1.12 0.00 0.00 29.99 27.61 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 -1.74 0.89 3.81 -1.41 0.00 -1.26 -4.97 105.19 100.51 3iss n GLY 286 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.31 4.30 0.16 1.61 -0.14 -0.54 -4.94 119.74 119.87 3iss s LYS 287 Ca 0.00 1.15 -0.28 0.00 -1.36 0.00 0.00 55.97 55.49 3iss s LYS 287 Cb 0.00 -2.32 -0.07 0.00 -1.68 0.00 0.00 37.83 33.75 3iss s LYS 287 CO 0.00 0.04 0.87 0.50 -0.76 0.00 0.00 175.35 176.00 3iss s ARG 288 N -2.93 4.68 0.67 1.68 3.52 -1.26 -4.50 118.95 120.81 3iss s ARG 288 Ca 0.59 1.31 -0.16 0.00 -0.13 0.00 0.00 55.73 57.34 3iss s ARG 288 Cb -0.11 -3.31 0.00 0.00 -1.56 0.00 0.00 34.95 29.97 3iss s ARG 288 CO 0.15 0.42 1.19 -1.25 -0.81 0.00 0.00 175.30 175.01 3iss s PRO 289 N -0.70 2.56 -0.08 5.12 0.04 -1.26 -4.82 135.00 135.86 3iss s PRO 289 Ca 0.40 1.72 -0.11 0.00 0.04 0.00 0.00 61.00 63.05 3iss s PRO 289 Cb -0.24 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.37 3iss s PRO 289 CO 0.28 -1.50 0.27 0.15 0.04 0.00 0.00 177.00 176.24 3iss s LYS 290 N -3.73 3.77 0.31 4.56 -0.14 0.10 -1.09 119.74 123.53 3iss s LYS 290 Ca 0.74 0.11 -0.28 0.00 -1.36 0.00 0.00 55.97 55.18 3iss s LYS 290 Cb -0.28 -3.25 -0.13 0.00 -1.68 0.00 0.00 37.83 32.49 3iss s LYS 290 CO 0.40 0.65 1.05 0.00 -0.76 0.00 0.00 175.35 176.69 3iss n ALA 291 N 2.21 0.04 -2.33 5.17 0.00 -0.88 -4.29 120.51 120.43 3iss n ALA 291 Ca -0.16 0.37 -0.17 0.00 0.00 0.00 0.00 53.44 53.48 3iss n ALA 291 Cb 0.53 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.82 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 -1.08 1.34 -0.12 0.00 -7.23 -1.26 -4.85 120.40 107.19 3iss s VAL 292 Ca 0.58 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3iss s VAL 292 Cb -0.67 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.08 3iss s VAL 292 CO 0.60 -0.49 -0.09 0.20 -0.31 0.00 0.00 175.10 175.01 3iss s ASN 293 N -3.30 4.41 0.01 4.85 0.02 -1.26 -3.38 114.94 116.29 3iss s ASN 293 Ca 0.24 -0.19 0.03 0.00 -1.02 0.00 0.00 52.86 51.92 3iss s ASN 293 Cb 0.03 -1.53 -0.01 0.00 0.02 0.00 0.00 41.25 39.76 3iss s ASN 293 CO 0.07 0.22 -0.09 -0.69 0.02 0.00 0.00 177.10 176.62 3iss s VAL 294 N 0.06 0.74 -0.17 1.60 1.01 -0.34 -4.99 120.40 118.31 3iss s VAL 294 Ca -0.03 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 3iss s VAL 294 Cb -0.14 -0.66 0.04 0.00 0.00 0.00 0.00 36.38 35.62 3iss s VAL 294 CO 0.04 0.07 -0.07 -0.60 0.00 0.00 0.00 175.10 174.54 3iss s ARG 295 N -0.59 1.60 0.47 2.72 3.52 -1.26 -0.19 118.95 125.23 3iss s ARG 295 Ca 0.01 -0.57 -0.21 0.00 -0.13 0.00 0.00 55.73 54.83 3iss s ARG 295 Cb -0.05 -2.07 -0.08 0.00 -1.56 0.00 0.00 34.95 31.19 3iss s ARG 295 CO 0.00 -0.41 1.07 0.95 -0.81 0.00 0.00 175.30 176.10 3iss s THR 296 N 1.58 3.62 0.03 4.11 -4.23 -0.37 -4.30 115.64 116.08 3iss s THR 296 Ca 0.01 1.09 -0.29 0.00 -1.18 0.00 0.00 61.69 61.32 3iss s THR 296 Cb -0.15 -3.49 0.10 0.00 1.34 0.00 0.00 72.50 70.30 3iss s THR 296 CO -0.08 -0.14 1.15 0.00 -0.54 0.00 0.00 174.62 175.01 3iss s ALA 297 N -1.82 -2.00 0.65 3.99 0.00 -0.54 -3.49 121.76 118.54 3iss s ALA 297 Ca 0.65 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 53.00 3iss s ALA 297 Cb -0.20 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 3iss s ALA 297 CO 0.24 -1.00 1.14 -2.30 0.00 0.00 0.00 175.76 173.84 3iss n PRO 298 N -0.45 0.94 -1.56 0.00 -0.02 -1.26 -4.34 135.00 128.32 3iss n PRO 298 Ca -0.07 0.37 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3iss n PRO 298 Cb 0.62 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 -1.96 0.79 -0.26 6.00 -0.00 -1.26 -2.06 115.22 116.46 3iss n HIS 299 Ca 0.15 0.66 0.05 0.00 0.46 0.00 0.00 57.72 59.04 3iss n HIS 299 Cb 0.48 -2.18 0.28 0.00 -0.12 0.00 0.00 29.99 28.45 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 0.55 3.61 -0.94 1.57 -0.04 -1.26 -4.54 135.00 133.95 3iss n PRO 300 Ca 0.10 -2.14 -0.30 0.00 -0.04 0.00 0.00 63.50 61.12 3iss n PRO 300 Cb 0.35 -2.00 0.25 0.00 -0.04 0.00 0.00 33.50 32.05 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 -2.17 0.34 0.15 0.55 0.00 -0.88 -4.34 121.76 115.42 3iss s ALA 301 Ca 0.37 -0.86 -0.31 0.00 0.00 0.00 0.00 51.96 51.15 3iss s ALA 301 Cb 0.28 -2.92 -0.10 0.00 0.00 0.00 0.00 23.12 20.38 3iss s ALA 301 CO 0.11 -3.74 1.68 0.12 0.00 0.00 0.00 175.76 173.93 3iss s PHE 302 N -2.86 2.72 0.22 0.00 2.19 -1.26 -4.80 117.98 114.19 3iss s PHE 302 Ca 0.70 0.36 -0.30 0.00 0.33 0.00 0.00 56.93 58.03 3iss s PHE 302 Cb -0.11 -4.04 -0.08 0.00 -1.31 0.00 0.00 43.02 37.47 3iss s PHE 302 CO 0.57 -4.03 1.00 -1.25 1.83 0.00 0.00 175.22 173.34 3iss s PRO 303 N 1.76 4.75 0.49 10.12 0.05 -1.26 -1.47 135.00 149.44 3iss s PRO 303 Ca 0.74 1.58 0.16 0.00 0.05 0.00 0.00 61.00 63.53 3iss s PRO 303 Cb -0.45 -3.28 1.18 0.00 0.05 0.00 0.00 34.50 32.00 3iss s PRO 303 CO 0.33 0.35 2.08 0.00 0.05 0.00 0.00 177.00 179.80 3iss h THR 304 N 3.37 0.95 0.00 1.26 1.03 -1.93 -1.69 112.91 115.90 3iss h THR 304 Ca -0.45 -0.06 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3iss h THR 304 Cb 1.21 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 69.05 3iss h THR 304 CO 0.69 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.70 3iss n ASP 305 N -4.49 0.00 -0.44 0.00 8.00 -1.26 -1.47 116.55 116.90 3iss n ASP 305 Ca 0.03 0.26 0.05 0.00 0.71 0.00 0.00 54.79 55.84 3iss n ASP 305 Cb 0.23 -0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 -1.36 0.94 -0.06 -1.24 2.81 -0.64 -4.77 117.12 112.81 3iss n MET 306 Ca 0.04 -1.30 -0.11 0.00 -1.81 0.00 0.00 57.70 54.52 3iss n MET 306 Cb 0.09 -1.20 -0.05 0.00 -0.71 0.00 0.00 33.22 31.35 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 1.93 0.32 -0.64 0.03 -0.00 -1.26 -2.57 115.11 112.91 3iss h GLN 307 Ca 0.00 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.65 58.50 3iss h GLN 307 Cb 0.48 -0.03 -0.03 0.00 0.00 0.00 0.00 27.48 27.90 3iss h GLN 307 CO 0.00 0.51 0.17 0.00 0.00 0.00 0.00 178.83 179.51 3iss h ALA 308 N 0.79 1.08 -0.60 3.38 0.00 -1.86 -0.44 119.26 121.62 3iss h ALA 308 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3iss h ALA 308 Cb 0.36 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iss h ALA 308 CO 0.01 0.61 0.34 1.96 0.00 0.00 0.00 179.25 182.18 3iss h GLN 309 N 0.96 0.82 0.00 0.00 7.50 -1.83 -1.72 115.11 120.84 3iss h GLN 309 Ca 0.21 -0.08 -0.04 0.00 0.50 0.00 0.00 58.65 59.23 3iss h GLN 309 Cb 0.32 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.68 3iss h GLN 309 CO -0.00 0.61 -0.19 0.74 -1.50 0.00 0.00 178.83 178.48 3iss h PHE 310 N 0.81 0.00 -0.51 2.96 -1.00 -1.14 -2.16 116.94 115.89 3iss h PHE 310 Ca 0.21 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.95 3iss h PHE 310 Cb 0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3iss h PHE 310 CO -0.02 0.19 0.17 1.15 -1.61 0.00 0.00 178.31 178.20 3iss h THR 311 N 0.00 1.23 -0.09 -1.55 2.02 -0.66 -1.84 112.91 112.01 3iss h THR 311 Ca -0.00 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 3iss h THR 311 Cb 0.90 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 3iss h THR 311 CO 0.03 0.28 0.05 0.25 0.37 0.00 0.00 175.52 176.49 3iss h LEU 312 N 0.70 0.12 -0.31 2.58 5.85 -1.01 -1.24 115.31 122.00 3iss h LEU 312 Ca 0.17 -0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.86 3iss h LEU 312 Cb 0.25 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3iss h LEU 312 CO -0.01 0.18 -0.26 0.25 -0.34 0.00 0.00 178.44 178.26 3iss h LEU 313 N 0.05 -0.85 -1.47 2.25 6.46 -1.34 0.76 115.31 121.16 3iss h LEU 313 Ca 0.03 0.16 0.08 0.00 -0.12 0.00 0.00 57.88 58.03 3iss h LEU 313 Cb 0.09 0.41 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 3iss h LEU 313 CO -0.00 -0.29 0.45 0.78 -0.62 0.00 0.00 178.44 178.76 3iss h ASN 314 N -0.24 0.55 0.92 1.25 2.35 -1.18 -1.89 115.58 117.35 3iss h ASN 314 Ca 0.16 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3iss h ASN 314 Cb 0.48 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3iss h ASN 314 CO -0.45 0.34 0.00 0.18 -1.65 0.00 0.00 177.43 175.86 3iss n LEU 315 N -4.48 0.71 -0.06 1.61 4.77 0.23 -2.11 117.00 117.67 3iss n LEU 315 Ca 0.11 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.81 3iss n LEU 315 Cb 0.29 -0.51 0.11 0.00 -2.33 0.00 0.00 43.42 40.99 3iss n LEU 315 CO 0.33 -0.47 0.55 1.33 -1.33 0.00 0.00 177.39 177.81 3iss n VAL 316 N -2.25 1.71 -2.83 4.08 0.24 -0.85 -1.11 118.33 117.32 3iss n VAL 316 Ca 0.03 -2.01 -0.20 0.00 -2.04 0.00 0.00 64.34 60.12 3iss n VAL 316 Cb 0.28 -0.09 0.05 0.00 -1.47 0.00 0.00 33.84 32.61 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 -2.50 4.23 -0.41 2.33 0.00 -0.77 -4.71 121.76 119.94 3iss s ALA 317 Ca 0.26 -1.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.23 3iss s ALA 317 Cb 0.22 -1.78 0.02 0.00 0.00 0.00 0.00 23.12 21.58 3iss s ALA 317 CO 0.02 -0.83 0.90 -2.00 0.00 0.00 0.00 175.76 173.85 3iss s GLU 318 N -4.72 3.69 0.00 0.00 2.12 -0.25 -4.03 118.70 115.51 3iss s GLU 318 Ca 0.60 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.28 3iss s GLU 318 Cb -0.08 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.46 3iss s GLU 318 CO 0.39 -1.04 0.00 0.41 -0.54 0.00 0.00 175.26 174.47 3iss n GLY 319 N 4.64 -1.12 3.41 -1.50 0.00 -1.26 -2.07 105.19 107.30 3iss n GLY 319 Ca 0.06 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 3.05 0.03 2.61 2.01 -1.26 -1.55 115.64 120.52 3iss s THR 320 Ca 0.00 -0.69 -0.00 0.00 0.31 0.00 0.00 61.69 61.31 3iss s THR 320 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3iss s THR 320 CO 0.00 0.55 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.62 3iss s GLY 321 N -0.09 0.29 0.17 4.40 0.00 -0.73 -4.74 107.32 106.63 3iss s GLY 321 Ca -0.02 -0.72 0.11 0.00 0.00 0.00 0.00 44.72 44.09 3iss s GLY 321 CO 0.04 -0.80 -0.24 -0.11 0.00 0.00 0.00 173.10 171.99 3iss s PHE 322 N -1.95 2.18 -0.11 1.90 -0.71 -1.22 -0.85 117.98 117.22 3iss s PHE 322 Ca -0.11 -0.39 0.00 0.00 -1.04 0.00 0.00 56.93 55.40 3iss s PHE 322 Cb -0.06 -1.12 0.02 0.00 -1.21 0.00 0.00 43.02 40.65 3iss s PHE 322 CO -0.03 0.41 -0.11 0.42 -1.34 0.00 0.00 175.22 174.57 3iss s ILE 323 N -1.53 1.24 -0.13 -4.49 1.01 -0.50 -1.20 121.20 115.60 3iss s ILE 323 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.36 3iss s ILE 323 Cb -0.08 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 3iss s ILE 323 CO 0.08 0.40 -0.07 -0.89 0.00 0.00 0.00 174.94 174.46 3iss s THR 324 N 1.41 3.60 -0.25 2.92 2.01 0.74 -0.65 115.64 125.41 3iss s THR 324 Ca 0.01 -0.47 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3iss s THR 324 Cb -0.13 -2.54 -0.01 0.00 0.01 0.00 0.00 72.50 69.82 3iss s THR 324 CO -0.06 0.53 0.05 -0.70 -0.69 0.00 0.00 174.62 173.74 3iss s GLU 325 N 0.09 3.45 0.00 4.92 2.56 -0.39 -1.24 118.70 128.09 3iss s GLU 325 Ca -0.02 -0.61 0.11 0.00 0.00 0.00 0.00 54.97 54.45 3iss s GLU 325 Cb -0.14 -3.27 0.03 0.00 2.00 0.00 0.00 34.13 32.75 3iss s GLU 325 CO 0.03 -0.26 0.73 0.25 -0.56 0.00 0.00 175.26 175.45 3iss n THR 326 N 4.88 0.00 -0.13 -1.70 -2.24 -1.23 -4.53 114.28 109.34 3iss n THR 326 Ca -0.16 -0.43 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 3iss n THR 326 Cb 0.50 1.16 -0.08 0.00 -2.10 0.00 0.00 70.33 69.81 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 0.07 1.52 -3.96 2.28 0.31 -1.26 -4.83 118.33 112.46 3iss n VAL 327 Ca 0.05 -0.24 -0.31 0.00 -0.01 0.00 0.00 64.34 63.84 3iss n VAL 327 Cb 0.25 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 31.02 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 -2.58 3.32 -1.07 3.52 0.08 -1.26 -5.01 117.98 114.97 3iss s PHE 328 Ca -0.36 -2.89 0.17 0.00 0.12 0.00 0.00 56.93 53.98 3iss s PHE 328 Cb 0.12 -2.72 0.74 0.00 -0.57 0.00 0.00 43.02 40.58 3iss s PHE 328 CO 0.48 -0.88 1.53 0.39 -0.10 0.00 0.00 175.22 176.63 3iss n GLU 329 N 4.00 0.04 -1.34 0.44 1.02 -1.26 -2.51 120.64 121.03 3iss n GLU 329 Ca 0.04 0.20 -0.07 0.00 -0.02 0.00 0.00 57.16 57.30 3iss n GLU 329 Cb 0.39 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.42 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 -1.46 3.08 -3.85 1.62 3.02 -1.22 -4.66 115.26 111.78 3iss n ASN 330 Ca 0.05 -3.69 -0.42 0.00 -0.03 0.00 0.00 54.58 50.48 3iss n ASN 330 Cb 0.19 -0.44 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 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 -0.85 4.40 -0.20 3.52 0.63 -1.04 -4.58 116.66 118.52 3iss n ARG 331 Ca 0.29 -4.16 0.02 0.00 -0.92 0.00 0.00 57.85 53.07 3iss n ARG 331 Cb 0.84 -2.64 0.02 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 1.89 0.00 0.25 -0.14 3.72 -1.26 -4.85 117.46 117.07 3iss n PHE 332 Ca 0.37 -0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.65 3iss n PHE 332 Cb 0.32 -0.05 0.77 0.00 -0.94 0.00 0.00 39.48 39.58 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 -0.02 -1.08 2.86 -1.97 -0.80 114.93 113.92 3iss h MET 333 Ca 0.00 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3iss h MET 333 Cb 1.08 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 3iss h MET 333 CO 0.00 0.00 0.02 1.12 1.06 0.00 0.00 176.91 179.11 3iss h HIS 334 N 0.00 0.00 0.80 -0.22 -0.00 -1.94 -3.26 115.15 110.53 3iss h HIS 334 Ca 0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.35 3iss h HIS 334 Cb 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.53 3iss h HIS 334 CO 0.00 0.00 -0.38 0.28 -0.00 0.00 0.00 177.93 177.83 3iss h VAL 335 N 0.00 0.22 -0.68 6.12 2.07 -1.53 -1.05 116.25 121.40 3iss h VAL 335 Ca 0.01 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3iss h VAL 335 Cb 0.04 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 3iss h VAL 335 CO -0.00 0.00 0.45 -0.65 0.02 0.00 0.00 177.57 177.39 3iss h PRO 336 N -1.07 0.50 -0.21 1.57 0.11 -1.73 -0.31 132.00 130.86 3iss h PRO 336 Ca -0.11 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.94 3iss h PRO 336 Cb 0.82 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.81 3iss h PRO 336 CO 0.18 0.33 0.01 0.93 -0.21 0.00 0.00 178.00 179.25 3iss h GLU 337 N 0.52 0.37 0.00 1.05 4.39 -1.57 -2.27 114.58 117.07 3iss h GLU 337 Ca 0.31 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3iss h GLU 337 Cb 0.53 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3iss h GLU 337 CO -0.10 0.55 -0.05 -0.07 -1.16 0.00 0.00 179.01 178.18 3iss h LEU 338 N 0.15 0.00 -1.33 1.33 3.38 -0.45 -0.72 115.31 117.67 3iss h LEU 338 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 3iss h LEU 338 Cb 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 338 CO 0.01 0.05 -0.17 0.28 0.09 0.00 0.00 178.44 178.70 3iss h SER 339 N 0.00 0.23 0.43 -0.43 0.02 -0.52 -0.42 113.55 112.86 3iss h SER 339 Ca -0.00 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3iss h SER 339 Cb 0.09 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3iss h SER 339 CO 0.01 0.42 -0.03 0.03 -1.14 0.00 0.00 176.83 176.11 3iss h ARG 340 N 0.23 0.00 -0.65 3.45 3.08 -0.70 -1.49 114.38 118.29 3iss h ARG 340 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3iss h ARG 340 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3iss h ARG 340 CO 0.03 0.03 0.00 -1.33 -1.07 0.00 0.00 179.97 177.63 3iss n MET 341 N -3.25 3.04 -0.45 0.04 2.81 -0.20 -4.83 117.12 114.27 3iss n MET 341 Ca -0.02 -2.49 0.00 0.00 -1.81 0.00 0.00 57.70 53.38 3iss n MET 341 Cb 0.19 -1.69 0.00 0.00 -0.71 0.00 0.00 33.22 31.01 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 1.29 0.77 3.78 3.03 0.00 -0.56 -0.75 105.19 112.76 3iss n GLY 342 Ca 0.23 -0.03 -0.32 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 -2.00 2.54 -0.30 4.61 0.00 -0.99 -4.96 121.76 120.66 3iss s ALA 343 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3iss s ALA 343 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3iss s ALA 343 CO 0.00 -1.21 -0.01 -1.01 0.00 0.00 0.00 175.76 173.53 3iss s HIS 344 N -2.53 3.34 0.01 0.00 0.09 -1.26 -4.57 115.29 110.37 3iss s HIS 344 Ca 0.64 -2.15 -0.12 0.00 -0.00 0.00 0.00 55.06 53.44 3iss s HIS 344 Cb -0.18 -2.23 0.01 0.00 -0.00 0.00 0.00 32.58 30.19 3iss s HIS 344 CO 0.44 -0.85 0.24 0.00 -0.00 0.00 0.00 174.74 174.57 3iss s ALA 345 N 1.17 -0.56 0.06 -1.40 0.00 -1.26 -1.23 121.76 118.55 3iss s ALA 345 Ca -0.04 0.02 0.05 0.00 0.00 0.00 0.00 51.96 52.00 3iss s ALA 345 Cb -0.20 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3iss s ALA 345 CO -0.03 -0.30 -0.14 -1.83 0.00 0.00 0.00 175.76 173.46 3iss s GLU 346 N -1.83 0.86 -0.28 0.00 1.03 -0.44 -4.97 118.70 113.06 3iss s GLU 346 Ca -0.10 -0.91 -0.06 0.00 0.03 0.00 0.00 54.97 53.93 3iss s GLU 346 Cb -0.04 -0.88 0.01 0.00 -0.80 0.00 0.00 34.13 32.42 3iss s GLU 346 CO 0.01 0.20 0.05 0.42 -1.33 0.00 0.00 175.26 174.61 3iss s ILE 347 N -1.16 3.81 -0.39 1.83 1.01 -1.26 0.22 121.20 125.26 3iss s ILE 347 Ca -0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 3iss s ILE 347 Cb -0.09 -2.94 0.08 0.00 0.01 0.00 0.00 42.46 39.51 3iss s ILE 347 CO 0.02 0.12 0.18 -1.61 0.00 0.00 0.00 174.94 173.66 3iss s GLU 348 N 1.48 2.44 7.52 2.79 0.41 -0.15 -4.99 118.70 128.20 3iss s GLU 348 Ca 0.03 -1.47 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 3iss s GLU 348 Cb -0.17 -3.60 0.00 0.00 -1.78 0.00 0.00 34.13 28.58 3iss s GLU 348 CO 0.01 -0.89 0.00 0.45 -0.49 0.00 0.00 175.26 174.34 3iss n SER 349 N 4.78 0.00 -1.39 -0.19 2.88 -1.26 -1.38 113.62 117.06 3iss n SER 349 Ca -0.09 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.37 3iss n SER 349 Cb 0.43 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.09 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 9.71 2.89 -4.12 -3.46 0.23 -1.26 -4.92 115.26 114.33 3iss n ASN 350 Ca 0.00 -3.68 -0.28 0.00 -0.53 0.00 0.00 54.58 50.08 3iss n ASN 350 Cb 0.00 -0.68 -0.17 0.00 -2.08 0.00 0.00 39.78 36.86 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 -3.23 1.61 -0.17 5.53 2.01 -0.48 -1.26 115.64 119.65 3iss s THR 351 Ca 0.47 -0.76 -0.14 0.00 0.31 0.00 0.00 61.69 61.58 3iss s THR 351 Cb 0.42 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3iss s THR 351 CO 0.03 0.46 0.30 0.54 -0.69 0.00 0.00 174.62 175.26 3iss s VAL 352 N 0.51 5.29 -0.32 3.82 0.11 0.17 -0.98 120.40 129.01 3iss s VAL 352 Ca -0.17 0.54 -0.12 0.00 -2.93 0.00 0.00 61.98 59.31 3iss s VAL 352 Cb -0.17 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.02 3iss s VAL 352 CO 0.06 0.36 0.21 -0.63 -3.33 0.00 0.00 175.10 171.77 3iss s ILE 353 N 0.66 5.09 -0.11 7.04 1.01 0.13 -1.41 121.20 133.62 3iss s ILE 353 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.58 3iss s ILE 353 Cb -0.13 -3.57 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 3iss s ILE 353 CO 0.04 0.06 -0.01 0.00 0.00 0.00 0.00 174.94 175.03 3iss s HIS 355 N -0.48 3.51 0.19 0.00 3.76 -0.36 -1.77 115.29 120.15 3iss s HIS 355 Ca 0.08 -2.69 -0.33 0.00 -0.15 0.00 0.00 55.06 51.97 3iss s HIS 355 Cb -0.12 -2.48 -0.13 0.00 1.11 0.00 0.00 32.58 30.97 3iss s HIS 355 CO 0.02 -0.92 1.68 0.41 -0.85 0.00 0.00 174.74 175.09 3iss n GLY 356 N 4.34 1.40 3.94 -2.22 0.00 -0.60 -4.24 105.19 107.81 3iss n GLY 356 Ca -0.04 0.64 -0.20 0.00 0.00 0.00 0.00 46.02 46.43 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 1.19 3.61 0.00 1.61 -7.23 -0.27 -4.69 120.40 114.62 3iss s VAL 357 Ca 0.77 -1.15 -0.15 0.00 -1.81 0.00 0.00 61.98 59.63 3iss s VAL 357 Cb -0.56 -3.24 -0.34 0.00 0.56 0.00 0.00 36.38 32.80 3iss s VAL 357 CO 0.35 -0.13 0.90 -0.08 -0.31 0.00 0.00 175.10 175.83 3iss h GLU 358 N 0.99 0.49 -2.60 4.82 4.22 -1.86 -3.38 114.58 117.25 3iss h GLU 358 Ca -0.44 -0.83 -0.10 0.00 0.08 0.00 0.00 59.36 58.07 3iss h GLU 358 Cb 1.26 0.31 -0.21 0.00 0.50 0.00 0.00 28.75 30.61 3iss h GLU 358 CO 0.54 1.40 -0.10 -1.59 -2.18 0.00 0.00 179.01 177.07 3iss s LYS 359 N -2.58 0.76 0.50 1.92 -2.85 -1.26 -5.03 119.74 111.20 3iss s LYS 359 Ca -0.11 0.17 -0.01 0.00 -1.00 0.00 0.00 55.97 55.01 3iss s LYS 359 Cb 0.04 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 3iss s LYS 359 CO 0.91 -0.20 0.75 -0.51 0.10 0.00 0.00 175.35 176.40 3iss s LEU 360 N -0.87 3.49 -0.05 2.77 1.43 -1.26 -4.96 118.68 119.23 3iss s LEU 360 Ca -0.09 0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.45 3iss s LEU 360 Cb -0.03 -3.25 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 3iss s LEU 360 CO 0.05 -0.85 -0.25 -0.44 0.23 0.00 0.00 176.35 175.09 3iss s SER 361 N -4.26 3.08 0.51 2.29 0.01 0.07 0.28 113.70 115.69 3iss s SER 361 Ca 0.51 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.05 3iss s SER 361 Cb -0.10 -0.77 -0.07 0.00 0.21 0.00 0.00 66.02 65.29 3iss s SER 361 CO 0.40 0.26 1.07 0.61 0.41 0.00 0.00 173.24 175.99 3iss n GLY 362 N 2.86 -0.03 3.77 3.44 0.00 -0.82 -4.40 105.19 110.01 3iss n GLY 362 Ca -0.17 0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.37 -1.65 -0.13 4.61 0.00 -1.08 -4.80 121.76 117.34 3iss s ALA 363 Ca 0.69 0.08 -0.28 0.00 0.00 0.00 0.00 51.96 52.45 3iss s ALA 363 Cb -0.47 0.65 -0.01 0.00 0.00 0.00 0.00 23.12 23.28 3iss s ALA 363 CO 0.52 -1.05 0.94 -0.65 0.00 0.00 0.00 175.76 175.52 3iss s GLN 364 N -3.15 4.38 0.18 0.00 -0.21 -1.26 -1.91 119.66 117.69 3iss s GLN 364 Ca 0.13 1.25 0.04 0.00 0.02 0.00 0.00 55.36 56.81 3iss s GLN 364 Cb -0.01 -3.55 -0.05 0.00 1.00 0.00 0.00 33.01 30.40 3iss s GLN 364 CO 0.03 -0.31 -0.08 0.14 -2.12 0.00 0.00 175.29 172.95 3iss s VAL 365 N 2.05 1.17 -0.16 1.09 -7.23 0.15 -4.95 120.40 112.52 3iss s VAL 365 Ca 0.45 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3iss s VAL 365 Cb -0.18 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.77 3iss s VAL 365 CO 0.16 -0.61 -0.20 -0.32 -0.31 0.00 0.00 175.10 173.81 3iss s MET 366 N -3.77 2.89 0.45 4.82 1.75 -1.26 -0.63 119.30 123.54 3iss s MET 366 Ca 0.21 -0.80 -0.22 0.00 -1.25 0.00 0.00 55.69 53.63 3iss s MET 366 Cb 0.03 -2.43 -0.09 0.00 2.84 0.00 0.00 34.83 35.19 3iss s MET 366 CO 0.03 -0.12 1.03 0.00 -0.65 0.00 0.00 175.02 175.31 3iss s ALA 367 N 1.09 2.96 0.00 4.11 0.00 -0.92 -4.95 121.76 124.05 3iss s ALA 367 Ca -0.01 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.56 3iss s ALA 367 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3iss s ALA 367 CO -0.07 -0.22 0.00 0.25 0.00 0.00 0.00 175.76 175.71 3iss n THR 368 N -0.63 0.00 -4.00 0.00 -2.24 -1.26 -4.85 114.28 101.30 3iss n THR 368 Ca 0.08 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 3iss n THR 368 Cb 0.52 0.26 -0.16 0.00 -2.10 0.00 0.00 70.33 68.85 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 3.32 0.28 3.42 -1.08 -1.26 -5.01 116.67 116.34 3iss s ASP 369 Ca 0.00 -0.84 0.20 0.00 -0.52 0.00 0.00 52.55 51.39 3iss s ASP 369 Cb 0.00 -1.23 0.97 0.00 -1.46 0.00 0.00 42.92 41.19 3iss s ASP 369 CO 0.00 -0.13 1.03 -0.11 0.52 0.00 0.00 175.17 176.48 3iss n LEU 370 N 4.69 0.16 -0.04 -1.34 7.94 -1.26 -1.60 117.00 125.55 3iss n LEU 370 Ca -0.15 0.95 -0.05 0.00 -1.11 0.00 0.00 56.01 55.65 3iss n LEU 370 Cb 0.47 -0.47 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3iss n LEU 370 CO 0.20 -1.04 -0.73 0.54 -1.11 0.00 0.00 177.39 175.25 3iss n ARG 371 N -4.10 0.17 -0.09 1.96 5.12 -1.26 -4.03 116.66 114.43 3iss n ARG 371 Ca 0.26 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 3iss n ARG 371 Cb 1.00 -1.08 0.28 0.00 -1.16 0.00 0.00 32.46 31.51 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 -0.05 1.42 0.00 7.54 0.00 -1.80 -2.73 119.26 123.64 3iss h ALA 372 Ca -0.16 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3iss h ALA 372 Cb 1.23 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iss h ALA 372 CO -0.04 0.45 0.00 0.43 0.00 0.00 0.00 179.25 180.09 3iss n SER 373 N -4.35 0.12 0.23 0.00 7.64 -0.63 -1.80 113.62 114.82 3iss n SER 373 Ca 0.04 0.53 0.14 0.00 1.01 0.00 0.00 58.87 60.59 3iss n SER 373 Cb 0.15 -0.56 0.78 0.00 -1.01 0.00 0.00 64.21 63.58 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 2.42 1.85 0.00 -0.43 0.00 -1.71 -0.85 119.26 120.54 3iss h ALA 374 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 374 Cb 0.25 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iss h ALA 374 CO 0.00 -0.14 -0.24 0.66 0.00 0.00 0.00 179.25 179.53 3iss h SER 375 N 0.00 0.00 -0.63 0.00 4.64 -1.57 -1.28 113.55 114.71 3iss h SER 375 Ca 0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.28 3iss h SER 375 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3iss h SER 375 CO -0.00 0.24 0.03 -0.07 -0.87 0.00 0.00 176.83 176.16 3iss h LEU 376 N 0.00 1.06 -0.25 5.97 3.38 -1.36 0.13 115.31 124.25 3iss h LEU 376 Ca -0.00 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3iss h LEU 376 Cb 0.45 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iss h LEU 376 CO 0.03 1.09 0.06 0.58 0.09 0.00 0.00 178.44 180.29 3iss h VAL 377 N 1.00 1.22 -0.48 1.22 2.07 -1.41 -1.68 116.25 118.18 3iss h VAL 377 Ca 0.18 -0.71 0.05 0.00 0.82 0.00 0.00 66.70 67.05 3iss h VAL 377 Cb 0.53 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 3iss h VAL 377 CO 0.03 0.23 0.21 -0.07 0.02 0.00 0.00 177.57 177.98 3iss h LEU 378 N 0.23 0.27 -0.73 2.57 4.07 -1.08 -2.02 115.31 118.61 3iss h LEU 378 Ca 0.08 0.04 0.07 0.00 0.08 0.00 0.00 57.88 58.15 3iss h LEU 378 Cb 0.29 -0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.97 3iss h LEU 378 CO 0.00 0.19 0.42 0.00 -1.08 0.00 0.00 178.44 177.97 3iss h ALA 379 N 1.29 1.00 -0.81 1.53 0.00 -0.55 -1.90 119.26 119.82 3iss h ALA 379 Ca 0.22 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.26 3iss h ALA 379 Cb 0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.75 3iss h ALA 379 CO -0.19 0.09 0.43 0.78 0.00 0.00 0.00 179.25 180.36 3iss h GLY 380 N 0.75 1.26 1.59 0.00 0.00 -0.59 -0.62 103.07 105.48 3iss h GLY 380 Ca 0.33 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3iss h GLY 380 CO -0.20 0.05 0.26 0.00 0.00 0.00 0.00 176.54 176.65 3iss n ILE 382 N -4.46 0.00 -1.55 0.00 -5.35 -0.87 -1.42 119.36 105.70 3iss n ILE 382 Ca 0.03 -0.15 -0.31 0.00 -0.27 0.00 0.00 62.75 62.05 3iss n ILE 382 Cb 0.07 1.08 0.06 0.00 -1.74 0.00 0.00 39.64 39.10 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 -2.54 2.62 -0.51 -1.28 0.00 -0.29 -4.50 121.76 115.26 3iss s ALA 383 Ca 0.10 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.86 3iss s ALA 383 Cb 0.14 -3.17 0.03 0.00 0.00 0.00 0.00 23.12 20.12 3iss s ALA 383 CO 0.66 -1.30 1.02 -2.00 0.00 0.00 0.00 175.76 174.14 3iss s GLU 384 N -5.05 3.52 0.00 0.00 2.56 0.14 -1.83 118.70 118.04 3iss s GLU 384 Ca 0.58 0.16 0.00 0.00 0.00 0.00 0.00 54.97 55.71 3iss s GLU 384 Cb -0.14 -3.97 0.00 0.00 2.00 0.00 0.00 34.13 32.02 3iss s GLU 384 CO 0.55 -1.40 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 3iss n GLY 385 N 4.99 0.74 3.29 -1.50 0.00 -0.33 -1.94 105.19 110.43 3iss n GLY 385 Ca 0.07 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.11 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 2.97 -0.09 2.61 2.01 -1.26 -1.06 115.64 120.82 3iss s THR 386 Ca 0.00 -0.65 0.01 0.00 0.31 0.00 0.00 61.69 61.36 3iss s THR 386 Cb 0.00 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 3iss s THR 386 CO 0.00 0.48 -0.11 -0.89 -0.69 0.00 0.00 174.62 173.41 3iss s THR 387 N 1.05 3.27 -0.25 -0.82 2.01 -0.33 -2.65 115.64 117.92 3iss s THR 387 Ca -0.00 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 3iss s THR 387 Cb -0.15 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.05 3iss s THR 387 CO -0.02 0.56 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 3iss s VAL 388 N -0.23 2.95 -0.46 3.82 1.01 -0.80 -0.25 120.40 126.44 3iss s VAL 388 Ca 0.02 -1.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.80 3iss s VAL 388 Cb -0.13 -2.50 0.04 0.00 0.00 0.00 0.00 36.38 33.79 3iss s VAL 388 CO 0.03 0.18 0.55 -0.69 0.00 0.00 0.00 175.10 175.17 3iss s VAL 389 N 1.33 4.96 0.43 2.92 1.01 0.03 -0.67 120.40 130.41 3iss s VAL 389 Ca 0.00 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.40 3iss s VAL 389 Cb -0.17 -4.18 -0.11 0.00 0.00 0.00 0.00 36.38 31.92 3iss s VAL 389 CO -0.04 -0.63 0.94 -0.62 0.00 0.00 0.00 175.10 174.76 3iss s ASP 390 N 2.26 6.94 -0.63 3.32 2.15 0.19 -1.77 116.67 129.14 3iss s ASP 390 Ca 0.15 1.68 -0.04 0.00 0.43 0.00 0.00 52.55 54.77 3iss s ASP 390 Cb -0.18 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 3iss s ASP 390 CO 0.13 -0.35 0.55 -1.14 -0.17 0.00 0.00 175.17 174.19 3iss n ARG 391 N -0.62 -3.69 0.00 4.34 0.63 -1.19 -2.16 116.66 113.98 3iss n ARG 391 Ca 0.07 0.40 0.10 0.00 -0.92 0.00 0.00 57.85 57.50 3iss n ARG 391 Cb 0.54 -4.11 0.58 0.00 0.45 0.00 0.00 32.46 29.92 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 -3.48 0.17 -0.12 5.15 -5.35 -1.23 -3.37 119.36 111.13 3iss n ILE 392 Ca -0.02 0.04 0.21 0.00 -0.27 0.00 0.00 62.75 62.71 3iss n ILE 392 Cb 0.54 -0.71 0.63 0.00 -1.74 0.00 0.00 39.64 38.36 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 0.20 -0.14 4.28 -0.00 -1.90 0.21 116.97 119.62 3iss h TYR 393 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 58.73 58.78 3iss h TYR 393 Cb 0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 36.73 36.70 3iss h TYR 393 CO 0.00 0.07 -0.19 0.45 -0.00 0.00 0.00 178.16 178.48 3iss h HIS 394 N 0.16 -0.50 -0.37 0.10 3.86 -1.93 -2.61 115.15 113.85 3iss h HIS 394 Ca 0.36 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.58 3iss h HIS 394 Cb 1.18 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.88 3iss h HIS 394 CO -0.00 -0.27 0.15 0.82 0.86 0.00 0.00 177.93 179.49 3iss h ILE 395 N -0.24 1.14 0.00 2.45 2.04 -0.89 -1.47 117.51 120.54 3iss h ILE 395 Ca 0.10 -0.43 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 3iss h ILE 395 Cb 0.39 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3iss h ILE 395 CO -0.28 0.17 -0.01 0.44 0.00 0.00 0.00 178.15 178.47 3iss h ASP 396 N 0.52 0.00 0.75 1.72 3.32 -0.88 -0.30 116.42 121.55 3iss h ASP 396 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3iss h ASP 396 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3iss h ASP 396 CO -0.01 0.01 -0.43 0.03 -1.72 0.00 0.00 179.24 177.11 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.07 -2.76 114.38 117.19 3iss h ARG 397 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 3iss h ARG 397 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3iss h ARG 397 CO 0.00 0.43 -1.70 0.41 -1.07 0.00 0.00 179.97 178.05 3iss n GLY 398 N 0.18 -0.57 3.11 0.04 0.00 -0.30 -3.69 105.19 103.96 3iss n GLY 398 Ca -0.01 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.52 1.32 -0.57 1.61 2.02 -0.28 -4.95 117.35 113.98 3iss s TYR 399 Ca -0.05 -0.27 -0.28 0.00 -0.37 0.00 0.00 57.07 56.10 3iss s TYR 399 Cb 0.05 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.77 3iss s TYR 399 CO 0.49 -0.05 1.34 -2.00 -1.57 0.00 0.00 175.55 173.76 3iss s GLU 400 N -0.25 3.38 -1.02 -0.62 2.12 -1.26 -4.43 118.70 116.62 3iss s GLU 400 Ca 0.04 0.38 -0.15 0.00 0.36 0.00 0.00 54.97 55.60 3iss s GLU 400 Cb -0.07 -4.09 -0.00 0.00 0.26 0.00 0.00 34.13 30.24 3iss s GLU 400 CO -0.00 -1.85 0.74 0.54 -0.54 0.00 0.00 175.26 174.14 3iss n ARG 401 N 8.59 -1.22 0.18 4.30 1.74 -1.26 -4.87 116.66 124.13 3iss n ARG 401 Ca 0.11 0.64 0.03 0.00 -0.77 0.00 0.00 57.85 57.86 3iss n ARG 401 Cb 0.49 -3.87 0.36 0.00 -1.02 0.00 0.00 32.46 28.41 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 -1.28 1.20 -0.11 0.55 2.10 -1.96 -2.64 117.51 115.38 3iss h ILE 402 Ca -0.56 -1.37 -0.10 0.00 1.08 0.00 0.00 64.86 63.91 3iss h ILE 402 Cb 1.32 1.75 -0.01 0.00 -1.09 0.00 0.00 36.82 38.79 3iss h ILE 402 CO 0.43 0.38 -0.40 1.05 -1.08 0.00 0.00 178.15 178.54 3iss h GLU 403 N 0.00 0.23 -0.23 2.19 9.09 -1.97 -1.60 114.58 122.29 3iss h GLU 403 Ca -0.00 -0.10 -0.07 0.00 0.05 0.00 0.00 59.36 59.23 3iss h GLU 403 Cb 0.72 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.81 3iss h GLU 403 CO 0.05 0.60 -0.12 -0.44 0.05 0.00 0.00 179.01 179.15 3iss h ASP 404 N 0.19 0.50 -0.29 3.06 3.32 -1.84 -1.01 116.42 120.35 3iss h ASP 404 Ca 0.02 -0.42 -0.10 0.00 0.02 0.00 0.00 57.03 56.55 3iss h ASP 404 Cb 0.79 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3iss h ASP 404 CO 0.06 0.81 -0.18 0.11 -1.72 0.00 0.00 179.24 178.32 3iss h LYS 405 N 0.19 0.75 -0.32 3.56 1.57 -1.48 -2.09 116.57 118.75 3iss h LYS 405 Ca 0.05 -0.28 -0.15 0.00 -1.87 0.00 0.00 60.65 58.40 3iss h LYS 405 Cb 0.62 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.88 3iss h LYS 405 CO 0.04 0.87 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.32 3iss h LEU 406 N 0.67 0.91 -0.95 2.94 3.38 -1.25 -3.03 115.31 117.97 3iss h LEU 406 Ca 0.10 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 3iss h LEU 406 Cb 0.66 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 406 CO 0.05 1.22 0.57 -0.09 0.09 0.00 0.00 178.44 180.28 3iss h ARG 407 N 0.62 1.29 0.00 1.13 2.43 -1.09 0.06 114.38 118.82 3iss h ARG 407 Ca 0.04 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3iss h ARG 407 Cb 1.00 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 3iss h ARG 407 CO 0.10 0.90 0.00 0.00 -1.51 0.00 0.00 179.97 179.46 3iss n ALA 408 N -2.40 1.61 0.50 2.80 0.00 -0.80 -0.85 120.51 121.39 3iss n ALA 408 Ca 0.11 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.57 3iss n ALA 408 Cb 0.06 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.33 2.36 0.00 0.00 4.77 -0.08 -4.69 117.00 118.03 3iss n LEU 409 Ca 0.04 -1.13 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 3iss n LEU 409 Cb 0.09 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3iss n LEU 409 CO 0.08 0.46 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 3iss n GLY 410 N 0.83 0.92 3.77 -0.72 0.00 -0.03 -1.34 105.19 108.62 3iss n GLY 410 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 3.33 -0.73 4.61 0.00 -0.68 -4.80 121.76 121.49 3iss s ALA 411 Ca 0.00 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 52.88 3iss s ALA 411 Cb 0.00 -3.41 0.16 0.00 0.00 0.00 0.00 23.12 19.87 3iss s ALA 411 CO 0.00 -0.52 0.75 1.21 0.00 0.00 0.00 175.76 177.20 3iss s ASN 412 N -0.82 6.50 -0.01 0.00 3.84 -1.26 -4.41 114.94 118.79 3iss s ASN 412 Ca 0.52 -2.15 0.00 0.00 0.21 0.00 0.00 52.86 51.44 3iss s ASN 412 Cb -0.35 -2.26 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 3iss s ASN 412 CO 0.45 -0.82 -0.01 -0.51 -2.79 0.00 0.00 177.10 173.42 3iss s ILE 413 N 1.36 0.10 0.00 -5.21 2.07 -1.26 -0.75 121.20 117.51 3iss s ILE 413 Ca 0.15 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.39 3iss s ILE 413 Cb -0.17 -0.12 -0.01 0.00 0.13 0.00 0.00 42.46 42.30 3iss s ILE 413 CO -0.03 0.05 -0.03 -0.70 -1.91 0.00 0.00 174.94 172.31 3iss s GLU 414 N 0.18 0.27 -0.38 3.50 2.12 -0.12 -4.98 118.70 119.28 3iss s GLU 414 Ca -0.01 -0.21 -0.15 0.00 0.36 0.00 0.00 54.97 54.95 3iss s GLU 414 Cb -0.03 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.16 3iss s GLU 414 CO -0.01 0.05 0.34 0.50 -0.54 0.00 0.00 175.26 175.61 3iss s ARG 415 N -0.34 3.25 0.27 4.30 3.52 -1.26 -0.64 118.95 128.05 3iss s ARG 415 Ca -0.02 -0.73 0.08 0.00 -0.13 0.00 0.00 55.73 54.94 3iss s ARG 415 Cb -0.03 -3.90 -0.04 0.00 -1.56 0.00 0.00 34.95 29.42 3iss s ARG 415 CO -0.00 -0.66 0.12 0.14 -0.81 0.00 0.00 175.30 174.09 3iss s VAL 416 N 1.89 3.87 -0.54 7.11 -7.23 -0.49 -4.94 120.40 120.07 3iss s VAL 416 Ca 0.09 -1.63 0.03 0.00 -1.81 0.00 0.00 61.98 58.66 3iss s VAL 416 Cb -0.18 -3.13 0.42 0.00 0.56 0.00 0.00 36.38 34.05 3iss s VAL 416 CO 0.11 -0.33 1.47 0.29 -0.31 0.00 0.00 175.10 176.33 3iss n LYS 417 N -1.08 3.21 0.00 4.82 4.76 -1.26 -1.72 118.16 126.89 3iss n LYS 417 Ca -0.06 -4.04 0.00 0.00 -2.87 0.00 0.00 58.31 51.33 3iss n LYS 417 Cb 0.59 -2.27 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