#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 4.41 0.04 7.83 1.11 -1.26 -4.04 116.67 124.76 3iss s ASP 2 Ca 0.00 2.33 -0.01 0.00 0.18 0.00 0.00 52.55 55.05 3iss s ASP 2 Cb 0.00 -2.59 -0.03 0.00 1.07 0.00 0.00 42.92 41.37 3iss s ASP 2 CO 0.00 -2.12 -0.02 -0.54 1.18 0.00 0.00 175.17 173.67 3iss s LYS 3 N -3.85 0.56 -0.19 8.23 1.02 -0.60 -3.05 119.74 121.86 3iss s LYS 3 Ca 0.74 -1.09 -0.06 0.00 0.02 0.00 0.00 55.97 55.59 3iss s LYS 3 Cb -0.29 0.19 -0.03 0.00 -0.52 0.00 0.00 37.83 37.19 3iss s LYS 3 CO 0.43 -0.10 0.02 -0.06 -0.92 0.00 0.00 175.35 174.72 3iss s PHE 4 N -3.43 3.11 -0.22 3.18 0.08 -0.65 -1.19 117.98 118.86 3iss s PHE 4 Ca 0.02 -0.23 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 3iss s PHE 4 Cb 0.04 -2.07 -0.05 0.00 -0.57 0.00 0.00 43.02 40.38 3iss s PHE 4 CO -0.08 -0.07 0.17 0.50 -0.10 0.00 0.00 175.22 175.63 3iss s ARG 5 N 0.71 4.12 -0.03 0.44 3.52 0.28 -0.61 118.95 127.38 3iss s ARG 5 Ca 0.01 -0.22 0.05 0.00 -0.13 0.00 0.00 55.73 55.45 3iss s ARG 5 Cb -0.14 -3.50 -0.01 0.00 -1.56 0.00 0.00 34.95 29.75 3iss s ARG 5 CO 0.02 0.14 -0.19 0.08 -0.81 0.00 0.00 175.30 174.54 3iss s VAL 6 N 0.82 1.55 -0.13 7.11 1.01 0.84 -0.95 120.40 130.65 3iss s VAL 6 Ca 0.09 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.27 3iss s VAL 6 Cb -0.13 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 34.95 3iss s VAL 6 CO 0.02 0.44 -0.20 -1.10 0.00 0.00 0.00 175.10 174.27 3iss s GLN 7 N -0.25 3.13 0.35 2.72 -1.52 0.13 -0.98 119.66 123.24 3iss s GLN 7 Ca 0.02 -0.81 0.04 0.00 -1.95 0.00 0.00 55.36 52.66 3iss s GLN 7 Cb -0.10 -2.47 -0.01 0.00 -0.22 0.00 0.00 33.01 30.21 3iss s GLN 7 CO 0.01 0.09 0.38 0.20 -0.25 0.00 0.00 175.29 175.71 3iss s GLY 8 N 0.60 2.03 0.65 3.09 0.00 -0.24 -4.10 107.32 109.35 3iss s GLY 8 Ca -0.11 -1.86 -0.12 0.00 0.00 0.00 0.00 44.72 42.63 3iss s GLY 8 CO 0.03 -1.27 1.05 2.56 0.00 0.00 0.00 173.10 175.47 3iss s PRO 9 N -3.19 3.21 -0.15 2.90 0.04 -0.75 -1.05 135.00 136.01 3iss s PRO 9 Ca 0.36 0.93 -0.13 0.00 0.04 0.00 0.00 61.00 62.21 3iss s PRO 9 Cb 0.01 -2.03 0.04 0.00 0.04 0.00 0.00 34.50 32.56 3iss s PRO 9 CO 0.25 -0.88 0.39 -0.08 0.04 0.00 0.00 177.00 176.72 3iss s THR 10 N -2.98 -0.00 -0.33 1.26 -1.32 -0.66 -4.99 115.64 106.61 3iss s THR 10 Ca 0.58 0.02 -0.15 0.00 -1.21 0.00 0.00 61.69 60.92 3iss s THR 10 Cb -0.13 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.28 3iss s THR 10 CO 0.51 0.01 0.38 -0.75 -2.21 0.00 0.00 174.62 172.55 3iss s LYS 11 N 0.41 3.68 -0.23 7.08 2.20 -1.26 -4.57 119.74 127.04 3iss s LYS 11 Ca -0.02 -0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.05 3iss s LYS 11 Cb -0.04 -3.77 -0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3iss s LYS 11 CO -0.02 -0.47 0.88 -0.51 -0.36 0.00 0.00 175.35 174.87 3iss s LEU 12 N 2.06 4.10 0.14 5.43 1.43 -1.26 -4.72 118.68 125.86 3iss s LEU 12 Ca 0.13 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.21 3iss s LEU 12 Cb -0.16 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.81 3iss s LEU 12 CO 0.11 -0.54 0.40 0.00 0.23 0.00 0.00 176.35 176.56 3iss s GLN 13 N 2.83 1.11 0.00 1.70 -2.07 -0.36 -3.32 119.66 119.56 3iss s GLN 13 Ca 0.37 -0.77 0.00 0.00 -1.82 0.00 0.00 55.36 53.15 3iss s GLN 13 Cb -0.15 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.23 3iss s GLN 13 CO 0.08 -0.43 0.00 0.41 -1.32 0.00 0.00 175.29 174.02 3iss n GLY 14 N -0.23 0.29 3.30 2.60 0.00 -0.55 -4.40 105.19 106.19 3iss n GLY 14 Ca -0.15 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.57 1.36 -0.06 1.61 -1.05 -1.26 -1.84 118.70 116.87 3iss s GLU 15 Ca 0.00 -1.72 -0.13 0.00 -0.15 0.00 0.00 54.97 52.97 3iss s GLU 15 Cb 0.00 -0.21 0.03 0.00 -0.44 0.00 0.00 34.13 33.50 3iss s GLU 15 CO 0.00 -0.28 0.31 0.54 0.95 0.00 0.00 175.26 176.77 3iss s VAL 16 N -3.78 0.03 -0.24 1.83 0.11 -0.42 -4.81 120.40 113.12 3iss s VAL 16 Ca 0.36 -0.26 -0.11 0.00 -2.93 0.00 0.00 61.98 59.04 3iss s VAL 16 Cb 0.08 -0.53 -0.05 0.00 -1.53 0.00 0.00 36.38 34.35 3iss s VAL 16 CO 0.12 -0.14 0.20 -0.89 -3.33 0.00 0.00 175.10 171.06 3iss s THR 17 N -0.62 5.33 0.01 5.04 2.01 -1.26 -0.27 115.64 125.87 3iss s THR 17 Ca -0.07 0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 3iss s THR 17 Cb -0.04 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3iss s THR 17 CO 0.02 0.32 1.21 -0.63 -0.69 0.00 0.00 174.62 174.85 3iss s ILE 18 N 1.18 4.12 0.94 1.82 -1.09 0.68 -4.93 121.20 123.92 3iss s ILE 18 Ca 0.09 1.50 -0.13 0.00 -2.23 0.00 0.00 60.65 59.88 3iss s ILE 18 Cb -0.14 -3.96 0.16 0.00 -1.58 0.00 0.00 42.46 36.94 3iss s ILE 18 CO 0.06 0.06 1.13 -0.44 -1.23 0.00 0.00 174.94 174.51 3iss s SER 19 N 1.30 3.22 0.64 3.58 0.01 -1.26 -4.84 113.70 116.36 3iss s SER 19 Ca 0.58 0.99 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 3iss s SER 19 Cb -0.27 -1.57 -0.01 0.00 0.21 0.00 0.00 66.02 64.38 3iss s SER 19 CO 0.26 -2.74 1.14 -0.83 0.41 0.00 0.00 173.24 171.48 3iss s GLY 20 N -3.91 2.33 -0.25 3.44 0.00 -1.24 -1.68 107.32 106.02 3iss s GLY 20 Ca 0.64 0.69 -0.29 0.00 0.00 0.00 0.00 44.72 45.77 3iss s GLY 20 CO 0.54 1.06 1.81 0.00 0.00 0.00 0.00 173.10 176.51 3iss s ALA 21 N -2.11 3.05 0.29 3.20 0.00 0.18 -4.34 121.76 122.03 3iss s ALA 21 Ca 0.70 0.50 0.03 0.00 0.00 0.00 0.00 51.96 53.19 3iss s ALA 21 Cb -0.23 -3.95 0.71 0.00 0.00 0.00 0.00 23.12 19.65 3iss s ALA 21 CO 0.38 -2.33 1.68 -0.22 0.00 0.00 0.00 175.76 175.28 3iss h LYS 22 N 12.27 0.34 -0.12 0.00 3.64 -1.91 0.45 116.57 131.23 3iss h LYS 22 Ca -0.36 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 3iss h LYS 22 Cb 1.18 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3iss h LYS 22 CO 1.00 0.22 0.00 0.09 -2.27 0.00 0.00 179.45 178.50 3iss n ASN 23 N -5.09 1.12 -0.13 4.20 3.02 -1.26 -2.07 115.26 115.05 3iss n ASN 23 Ca 0.21 -1.66 -0.22 0.00 -0.03 0.00 0.00 54.58 52.88 3iss n ASN 23 Cb 0.65 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 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 -0.03 1.40 -0.17 5.41 0.00 -0.26 -4.41 120.51 122.45 3iss n ALA 24 Ca 0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 53.44 52.51 3iss n ALA 24 Cb 0.23 0.05 0.03 0.00 0.00 0.00 0.00 19.45 19.76 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 -0.44 0.20 0.20 0.00 0.00 -0.93 -1.95 119.26 116.33 3iss h ALA 25 Ca -0.60 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3iss h ALA 25 Cb 1.72 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 20.03 3iss h ALA 25 CO -0.24 -0.53 -0.17 -0.07 0.00 0.00 0.00 179.25 178.25 3iss h LEU 26 N -0.08 -0.43 -1.25 0.00 4.07 -1.66 0.56 115.31 116.52 3iss h LEU 26 Ca 0.24 0.04 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 3iss h LEU 26 Cb 0.46 0.15 -0.02 0.00 1.08 0.00 0.00 40.66 42.33 3iss h LEU 26 CO -0.58 -0.26 0.01 -0.65 -1.08 0.00 0.00 178.44 175.88 3iss h PRO 27 N -0.38 0.52 0.15 1.13 0.11 -1.73 -2.86 132.00 128.93 3iss h PRO 27 Ca -0.01 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3iss h PRO 27 Cb 0.35 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3iss h PRO 27 CO -0.02 0.54 -0.07 0.82 -0.21 0.00 0.00 178.00 179.06 3iss h ILE 28 N 0.50 0.98 -1.08 4.15 2.04 -0.84 0.08 117.51 123.34 3iss h ILE 28 Ca 0.11 -0.68 0.30 0.00 1.00 0.00 0.00 64.86 65.59 3iss h ILE 28 Cb 0.31 1.40 -0.11 0.00 -0.74 0.00 0.00 36.82 37.67 3iss h ILE 28 CO 0.01 0.16 0.67 -0.07 0.00 0.00 0.00 178.15 178.92 3iss h LEU 29 N -0.53 0.46 0.02 1.44 4.07 -0.86 -0.90 115.31 119.00 3iss h LEU 29 Ca -0.02 0.12 -0.23 0.00 0.08 0.00 0.00 57.88 57.83 3iss h LEU 29 Cb 0.41 0.06 -0.03 0.00 1.08 0.00 0.00 40.66 42.18 3iss h LEU 29 CO 0.03 0.00 -1.11 -0.26 -1.08 0.00 0.00 178.44 176.02 3iss h PHE 30 N 0.36 0.07 0.00 1.13 0.04 -1.25 -3.13 116.94 114.15 3iss h PHE 30 Ca 0.67 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 61.35 3iss h PHE 30 Cb 1.68 -0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.82 3iss h PHE 30 CO -0.00 1.04 -0.17 0.00 -0.60 0.00 0.00 178.31 178.58 3iss h ALA 31 N 0.94 1.31 -0.14 2.45 0.00 0.28 -2.61 119.26 121.48 3iss h ALA 31 Ca -0.06 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3iss h ALA 31 Cb 1.82 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.58 3iss h ALA 31 CO 0.13 0.21 0.14 0.00 0.00 0.00 0.00 179.25 179.74 3iss h ALA 32 N 1.83 1.82 0.00 0.00 0.00 -1.16 -0.90 119.26 120.86 3iss h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iss h ALA 32 Cb 0.42 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3iss h ALA 32 CO 0.02 -0.21 0.12 -0.07 0.00 0.00 0.00 179.25 179.11 3iss h LEU 33 N 0.00 0.00 -0.05 0.00 3.38 -1.62 0.18 115.31 117.20 3iss h LEU 33 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3iss h LEU 33 Cb 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3iss h LEU 33 CO -0.00 0.00 -0.07 -0.07 0.09 0.00 0.00 178.44 178.38 3iss h LEU 34 N 0.00 0.00 -9.03 1.67 3.38 -1.38 -3.47 115.31 106.49 3iss h LEU 34 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3iss h LEU 34 Cb 0.24 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3iss h LEU 34 CO 0.00 0.07 0.95 0.00 0.09 0.00 0.00 178.44 179.56 3iss s ALA 35 N -3.19 3.47 0.09 1.53 0.00 0.64 -4.38 121.76 119.91 3iss s ALA 35 Ca 0.06 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.51 3iss s ALA 35 Cb 0.06 -3.72 1.33 0.00 0.00 0.00 0.00 23.12 20.78 3iss s ALA 35 CO 0.68 -1.56 1.72 0.93 0.00 0.00 0.00 175.76 177.53 3iss h GLU 36 N 8.95 0.00 0.00 0.00 4.39 0.13 -3.39 114.58 124.66 3iss h GLU 36 Ca -0.26 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.44 3iss h GLU 36 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3iss h GLU 36 CO 1.01 0.00 0.00 -0.85 -1.16 0.00 0.00 179.01 178.01 3iss n GLU 37 N -2.41 0.00 -1.11 2.33 0.28 -1.24 -4.49 120.64 113.99 3iss n GLU 37 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 3iss n GLU 37 Cb 0.14 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.01 3iss n GLU 37 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3iss n PRO 38 N -0.04 0.00 -3.56 3.44 -0.04 -1.26 -2.65 135.00 130.88 3iss n PRO 38 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 3iss n PRO 38 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 3iss n PRO 38 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3iss s VAL 39 N -2.01 0.00 -0.14 0.52 0.11 -0.23 -1.02 120.40 117.63 3iss s VAL 39 Ca 0.00 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3iss s VAL 39 Cb 0.00 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.87 3iss s VAL 39 CO 0.00 0.00 -0.14 -0.70 -3.33 0.00 0.00 175.10 170.93 3iss s GLU 40 N -0.79 2.26 -0.25 1.54 2.12 -0.09 -1.08 118.70 122.42 3iss s GLU 40 Ca -0.05 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.64 3iss s GLU 40 Cb -0.01 -2.05 -0.04 0.00 0.26 0.00 0.00 34.13 32.28 3iss s GLU 40 CO 0.05 -0.21 0.12 0.42 -0.54 0.00 0.00 175.26 175.10 3iss s ILE 41 N 1.42 4.85 0.18 -3.70 1.09 0.29 -1.66 121.20 123.68 3iss s ILE 41 Ca 0.03 0.01 0.04 0.00 -1.10 0.00 0.00 60.65 59.63 3iss s ILE 41 Cb -0.13 -3.27 -0.03 0.00 -1.06 0.00 0.00 42.46 37.96 3iss s ILE 41 CO -0.09 0.32 0.29 -1.10 -0.10 0.00 0.00 174.94 174.26 3iss s GLN 42 N 1.43 3.37 -1.08 2.79 -0.21 0.11 0.12 119.66 126.19 3iss s GLN 42 Ca 0.06 -0.68 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 3iss s GLN 42 Cb -0.15 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 30.96 3iss s GLN 42 CO 0.06 0.49 0.93 -1.71 -2.12 0.00 0.00 175.29 172.94 3iss n ASN 43 N -0.80 -4.40 -4.70 5.90 5.15 0.09 -1.93 115.26 114.57 3iss n ASN 43 Ca -0.08 -0.47 -0.38 0.00 -0.60 0.00 0.00 54.58 53.05 3iss n ASN 43 Cb 0.55 -4.30 -0.07 0.00 -0.53 0.00 0.00 39.78 35.43 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 -3.28 5.20 0.53 3.44 1.01 -1.21 -3.68 120.40 122.42 3iss s VAL 44 Ca 0.32 0.82 -0.21 0.00 0.00 0.00 0.00 61.98 62.91 3iss s VAL 44 Cb -0.14 -3.77 -0.06 0.00 0.00 0.00 0.00 36.38 32.42 3iss s VAL 44 CO 0.61 0.30 1.21 -2.16 0.00 0.00 0.00 175.10 175.06 3iss s PRO 45 N 0.88 3.36 -0.95 2.72 0.04 -1.26 -4.85 135.00 134.93 3iss s PRO 45 Ca 0.22 1.86 -0.19 0.00 0.04 0.00 0.00 61.00 62.94 3iss s PRO 45 Cb -0.15 -2.19 0.13 0.00 0.04 0.00 0.00 34.50 32.33 3iss s PRO 45 CO 0.08 -0.91 1.16 0.15 0.04 0.00 0.00 177.00 177.53 3iss s LYS 46 N -3.00 3.62 0.08 4.56 1.02 -1.26 -4.85 119.74 119.92 3iss s LYS 46 Ca 0.70 -1.76 0.06 0.00 0.02 0.00 0.00 55.97 54.99 3iss s LYS 46 Cb -0.31 -4.96 -0.03 0.00 -0.52 0.00 0.00 37.83 32.02 3iss s LYS 46 CO 0.36 -1.80 -0.17 -0.51 -0.92 0.00 0.00 175.35 172.31 3iss s LEU 47 N 2.78 2.26 0.45 3.17 1.43 -1.26 -4.48 118.68 123.03 3iss s LEU 47 Ca 0.34 -0.61 0.14 0.00 -1.03 0.00 0.00 54.13 52.97 3iss s LEU 47 Cb -0.04 -0.68 1.07 0.00 0.03 0.00 0.00 46.19 46.56 3iss s LEU 47 CO -0.09 -0.00 2.02 0.50 0.23 0.00 0.00 176.35 179.01 3iss h LYS 48 N 4.34 0.33 -0.16 1.70 1.63 -1.65 -1.60 116.57 121.16 3iss h LYS 48 Ca -0.42 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.31 3iss h LYS 48 Cb 1.18 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 3iss h LYS 48 CO 0.41 0.22 -0.10 -0.44 -3.45 0.00 0.00 179.45 176.08 3iss h ASP 49 N 0.34 0.22 -0.18 4.20 5.19 -1.83 -0.20 116.42 124.17 3iss h ASP 49 Ca 0.22 -0.04 -0.11 0.00 -0.62 0.00 0.00 57.03 56.48 3iss h ASP 49 Cb 0.41 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 3iss h ASP 49 CO -0.05 0.36 -0.31 0.58 -3.12 0.00 0.00 179.24 176.70 3iss h VAL 50 N 0.23 1.34 -0.20 -1.35 2.07 -1.63 -2.08 116.25 114.64 3iss h VAL 50 Ca 0.05 -1.53 0.06 0.00 0.82 0.00 0.00 66.70 66.09 3iss h VAL 50 Cb 0.33 1.88 -0.06 0.00 -1.52 0.00 0.00 31.29 31.93 3iss h VAL 50 CO 0.02 0.47 -0.22 0.44 0.02 0.00 0.00 177.57 178.30 3iss h ASP 51 N 0.18 -0.70 -0.95 0.57 3.32 -0.96 -0.29 116.42 117.60 3iss h ASP 51 Ca 0.01 0.12 0.02 0.00 0.02 0.00 0.00 57.03 57.21 3iss h ASP 51 Cb 0.89 0.33 -0.05 0.00 0.22 0.00 0.00 39.33 40.72 3iss h ASP 51 CO 0.07 -0.26 0.63 0.74 -1.72 0.00 0.00 179.24 178.70 3iss h THR 52 N -0.24 1.22 -0.25 0.35 2.02 -1.06 0.74 112.91 115.69 3iss h THR 52 Ca 0.12 -0.43 0.00 0.00 0.77 0.00 0.00 66.41 66.87 3iss h THR 52 Cb 0.43 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3iss h THR 52 CO -0.34 0.23 0.16 0.28 0.37 0.00 0.00 175.52 176.22 3iss h SER 53 N 1.27 0.30 -0.31 4.18 0.02 -0.79 -1.95 113.55 116.25 3iss h SER 53 Ca 0.36 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3iss h SER 53 Cb -0.10 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3iss h SER 53 CO -0.09 0.24 0.19 0.24 -1.14 0.00 0.00 176.83 176.28 3iss h MET 54 N 0.32 0.43 -0.79 3.45 2.07 0.01 0.30 114.93 120.71 3iss h MET 54 Ca 0.09 -0.04 0.10 0.00 -2.07 0.00 0.00 59.70 57.79 3iss h MET 54 Cb -0.00 -0.09 -0.08 0.00 -1.87 0.00 0.00 31.60 29.56 3iss h MET 54 CO -0.02 0.32 0.43 -0.22 1.07 0.00 0.00 176.91 178.49 3iss h LYS 55 N 0.41 0.68 -0.18 1.72 3.64 -0.78 0.40 116.57 122.46 3iss h LYS 55 Ca 0.11 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.42 3iss h LYS 55 Cb 0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 3iss h LYS 55 CO -0.02 0.45 -0.01 1.25 -2.27 0.00 0.00 179.45 178.85 3iss h LEU 56 N 0.70 0.32 -0.07 5.20 5.85 -0.46 -1.68 115.31 125.17 3iss h LEU 56 Ca 0.40 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3iss h LEU 56 Cb 0.42 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 3iss h LEU 56 CO -0.28 0.57 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.11 3iss h LEU 57 N 0.06 -0.63 -0.37 2.25 4.07 -0.14 -1.11 115.31 119.45 3iss h LEU 57 Ca 0.05 0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.18 3iss h LEU 57 Cb 0.41 0.28 -0.07 0.00 1.08 0.00 0.00 40.66 42.36 3iss h LEU 57 CO 0.01 -0.27 -0.07 -1.28 -1.08 0.00 0.00 178.44 175.76 3iss h SER 58 N -0.30 -0.29 -0.53 -0.43 0.87 -0.93 -0.31 113.55 111.63 3iss h SER 58 Ca 0.08 0.10 0.13 0.00 -1.23 0.00 0.00 61.79 60.88 3iss h SER 58 Cb 0.41 0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 3iss h SER 58 CO -0.24 -0.10 0.37 -0.61 -0.53 0.00 0.00 176.83 175.72 3iss h GLN 59 N 0.02 0.12 0.00 2.24 4.15 -0.61 0.32 115.11 121.35 3iss h GLN 59 Ca 0.18 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3iss h GLN 59 Cb 0.27 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.93 3iss h GLN 59 CO -0.36 0.08 0.00 1.28 -1.93 0.00 0.00 178.83 177.90 3iss n LEU 60 N -4.42 0.26 0.00 -2.39 4.77 -0.19 -4.80 117.00 110.24 3iss n LEU 60 Ca 0.09 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 3iss n LEU 60 Cb 0.52 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3iss n LEU 60 CO 0.36 -0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3iss n GLY 61 N 1.22 1.08 3.86 -0.72 0.00 0.11 -2.09 105.19 108.65 3iss n GLY 61 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3iss n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 62 N -2.00 3.13 -0.30 4.61 0.00 -0.85 -3.89 121.76 122.46 3iss s ALA 62 Ca 0.00 0.01 -0.15 0.00 0.00 0.00 0.00 51.96 51.82 3iss s ALA 62 Cb 0.00 -3.03 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 3iss s ALA 62 CO 0.00 -0.35 0.38 0.15 0.00 0.00 0.00 175.76 175.93 3iss s LYS 63 N -4.42 3.81 -0.04 0.00 1.02 0.77 -4.15 119.74 116.73 3iss s LYS 63 Ca 0.56 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.42 3iss s LYS 63 Cb -0.10 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 3iss s LYS 63 CO 0.39 -0.40 -0.10 0.08 -0.92 0.00 0.00 175.35 174.40 3iss s VAL 64 N 2.07 0.91 0.05 3.17 1.01 -1.26 0.06 120.40 126.41 3iss s VAL 64 Ca 0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 3iss s VAL 64 Cb -0.16 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.40 3iss s VAL 64 CO 0.11 0.29 0.27 -1.83 0.00 0.00 0.00 175.10 173.95 3iss s GLU 65 N 0.49 0.79 -0.07 2.72 -1.05 -0.69 -5.00 118.70 115.88 3iss s GLU 65 Ca -0.09 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.20 3iss s GLU 65 Cb -0.13 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 33.88 3iss s GLU 65 CO 0.02 -0.25 -0.15 0.50 0.95 0.00 0.00 175.26 176.33 3iss s ARG 66 N -2.62 2.75 0.00 -4.83 6.06 -1.26 -1.70 118.95 117.35 3iss s ARG 66 Ca -0.05 -0.72 0.00 0.00 -2.50 0.00 0.00 55.73 52.47 3iss s ARG 66 Cb -0.01 -2.42 0.00 0.00 0.06 0.00 0.00 34.95 32.58 3iss s ARG 66 CO -0.04 0.48 0.00 -0.40 -2.50 0.00 0.00 175.30 172.84 3iss n ASP 67 N 2.72 0.00 0.06 -2.12 5.75 -1.26 -5.00 116.55 116.69 3iss n ASP 67 Ca -0.17 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.72 3iss n ASP 67 Cb 0.52 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.57 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iss n GLY 68 N 4.48 -1.29 3.26 6.12 0.00 -1.26 -5.07 105.19 111.42 3iss n GLY 68 Ca 0.00 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.52 3iss n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iss s SER 69 N -4.90 0.95 -0.07 1.61 0.01 -1.26 -0.73 113.70 109.31 3iss s SER 69 Ca -0.02 -1.53 0.05 0.00 1.31 0.00 0.00 55.95 55.76 3iss s SER 69 Cb 0.12 0.41 -0.00 0.00 0.21 0.00 0.00 66.02 66.75 3iss s SER 69 CO 0.83 -0.90 -0.22 -0.69 0.41 0.00 0.00 173.24 172.67 3iss s VAL 70 N -3.82 1.85 -0.16 3.43 1.01 0.33 -4.69 120.40 118.35 3iss s VAL 70 Ca 0.39 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3iss s VAL 70 Cb 0.05 -1.59 -0.02 0.00 0.00 0.00 0.00 36.38 34.83 3iss s VAL 70 CO 0.17 0.52 -0.06 -1.00 0.00 0.00 0.00 175.10 174.73 3iss s HIS 71 N 0.10 2.94 -0.09 5.22 3.76 -0.69 -0.55 115.29 126.00 3iss s HIS 71 Ca -0.09 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.29 3iss s HIS 71 Cb -0.15 -1.96 0.02 0.00 1.11 0.00 0.00 32.58 31.60 3iss s HIS 71 CO 0.05 -0.20 -0.10 0.42 -0.85 0.00 0.00 174.74 174.05 3iss s ILE 72 N 0.62 1.10 -0.31 0.60 1.01 -0.24 -1.70 121.20 122.28 3iss s ILE 72 Ca -0.04 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.21 3iss s ILE 72 Cb -0.15 -1.05 0.06 0.00 0.01 0.00 0.00 42.46 41.33 3iss s ILE 72 CO 0.03 0.36 0.00 -0.62 0.00 0.00 0.00 174.94 174.71 3iss s ASP 73 N 1.14 4.82 -0.28 3.58 -1.08 0.11 -1.07 116.67 123.89 3iss s ASP 73 Ca -0.05 -1.46 0.11 0.00 -0.52 0.00 0.00 52.55 50.63 3iss s ASP 73 Cb -0.14 -1.68 0.58 0.00 -1.46 0.00 0.00 42.92 40.22 3iss s ASP 73 CO -0.02 -0.29 1.57 0.00 0.52 0.00 0.00 175.17 176.96 3iss n ALA 74 N 4.54 4.09 -0.05 3.66 0.00 -1.26 -0.16 120.51 131.34 3iss n ALA 74 Ca -0.11 -2.69 0.00 0.00 0.00 0.00 0.00 53.44 50.64 3iss n ALA 74 Cb 0.43 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.83 3iss n ALA 74 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3iss n ARG 75 N -0.74 0.93 -0.07 0.00 0.63 -1.26 -4.22 116.66 111.93 3iss n ARG 75 Ca 0.34 -0.08 0.01 0.00 -0.92 0.00 0.00 57.85 57.19 3iss n ARG 75 Cb 1.13 -1.42 0.03 0.00 0.45 0.00 0.00 32.46 32.65 3iss n ARG 75 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3iss n ASP 76 N -2.37 1.27 -4.70 6.15 9.92 -1.26 -4.90 116.55 120.67 3iss n ASP 76 Ca -0.15 -2.07 -0.42 0.00 -0.53 0.00 0.00 54.79 51.62 3iss n ASP 76 Cb 0.75 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 40.74 3iss n ASP 76 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3iss s VAL 77 N -1.23 3.58 0.00 2.53 1.01 -1.25 -4.65 120.40 120.39 3iss s VAL 77 Ca 0.04 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3iss s VAL 77 Cb 0.03 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3iss s VAL 77 CO 0.01 0.02 0.00 -0.46 0.00 0.00 0.00 175.10 174.68 3iss n ASN 78 N 4.95 0.00 -4.38 3.32 6.94 -0.92 -5.01 115.26 120.17 3iss n ASN 78 Ca 0.13 -0.70 -0.30 0.00 -0.02 0.00 0.00 54.58 53.69 3iss n ASN 78 Cb 0.43 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.71 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 2.28 -0.14 3.53 0.11 -0.89 -5.06 120.40 120.24 3iss s VAL 79 Ca 0.00 -1.49 0.17 0.00 -2.93 0.00 0.00 61.98 57.72 3iss s VAL 79 Cb 0.00 -1.94 0.43 0.00 -1.53 0.00 0.00 36.38 33.33 3iss s VAL 79 CO 0.00 0.26 1.20 0.49 -3.33 0.00 0.00 175.10 173.72 3iss n PHE 80 N 1.43 0.12 -4.49 1.54 3.72 -1.26 -4.70 117.46 113.81 3iss n PHE 80 Ca -0.17 -1.18 -0.24 0.00 -0.05 0.00 0.00 57.45 55.81 3iss n PHE 80 Cb 0.52 -0.22 -0.17 0.00 -0.94 0.00 0.00 39.48 38.68 3iss n PHE 80 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iss s ALA 82 N 0.75 3.52 0.59 0.00 0.00 0.26 -4.90 121.76 121.99 3iss s ALA 82 Ca -0.13 -1.99 -0.16 0.00 0.00 0.00 0.00 51.96 49.68 3iss s ALA 82 Cb -0.15 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.81 3iss s ALA 82 CO 0.03 -1.77 1.06 -1.25 0.00 0.00 0.00 175.76 173.82 3iss s PRO 83 N 1.87 3.32 0.24 0.00 0.04 -1.26 -2.30 135.00 136.91 3iss s PRO 83 Ca 0.07 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.19 3iss s PRO 83 Cb -0.23 -2.03 0.33 0.00 0.04 0.00 0.00 34.50 32.61 3iss s PRO 83 CO 0.08 -0.81 1.60 -0.92 0.04 0.00 0.00 177.00 177.00 3iss h TYR 84 N 0.43 -0.39 0.00 0.56 3.20 -1.97 -0.52 116.97 118.28 3iss h TYR 84 Ca -0.47 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3iss h TYR 84 Cb 1.22 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.78 3iss h TYR 84 CO 0.59 -0.33 0.00 -0.25 -1.64 0.00 0.00 178.16 176.53 3iss n ASP 85 N -5.50 0.00 -0.05 -2.11 8.00 -1.26 -1.36 116.55 114.26 3iss n ASP 85 Ca 0.11 0.47 -0.11 0.00 0.71 0.00 0.00 54.79 55.97 3iss n ASP 85 Cb 0.40 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.99 3iss n ASP 85 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3iss n LEU 86 N -1.47 1.24 -0.24 0.64 0.00 -0.23 -4.51 117.00 112.43 3iss n LEU 86 Ca 0.00 0.20 0.10 0.00 0.00 0.00 0.00 56.01 56.32 3iss n LEU 86 Cb 0.01 -0.48 0.37 0.00 0.00 0.00 0.00 43.42 43.32 3iss n LEU 86 CO 0.01 -0.02 1.22 0.58 0.00 0.00 0.00 177.39 179.18 3iss h VAL 87 N -0.53 0.90 -0.21 1.96 2.07 -1.32 0.18 116.25 119.30 3iss h VAL 87 Ca -0.22 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.11 3iss h VAL 87 Cb 1.00 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3iss h VAL 87 CO -0.13 0.13 0.23 0.07 0.02 0.00 0.00 177.57 177.89 3iss h LYS 88 N 0.72 0.00 0.00 1.57 2.10 -1.46 -0.30 116.57 119.19 3iss h LYS 88 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 3iss h LYS 88 Cb 0.57 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.90 3iss h LYS 88 CO -0.17 0.00 -0.72 0.25 -2.00 0.00 0.00 179.45 176.81 3iss n THR 89 N -3.79 0.20 -3.14 0.07 -2.24 0.62 -4.75 114.28 101.26 3iss n THR 89 Ca 0.02 -0.19 0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3iss n THR 89 Cb 0.36 0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 3iss n THR 89 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3iss s MET 90 N -3.13 0.57 0.03 -0.78 -2.45 -0.14 -5.04 119.30 108.37 3iss s MET 90 Ca 0.07 0.17 0.03 0.00 -1.25 0.00 0.00 55.69 54.70 3iss s MET 90 Cb 0.15 0.16 0.13 0.00 1.25 0.00 0.00 34.83 36.52 3iss s MET 90 CO 0.74 -0.95 1.08 2.89 1.05 0.00 0.00 175.02 179.83 3iss n ARG 91 N 4.89 0.01 0.26 4.11 1.85 -1.13 -1.37 116.66 125.28 3iss n ARG 91 Ca 0.08 0.51 0.17 0.00 -1.00 0.00 0.00 57.85 57.60 3iss n ARG 91 Cb 0.56 -1.55 0.69 0.00 -1.05 0.00 0.00 32.46 31.12 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 2.01 1.00 -1.48 2.89 0.00 -1.96 -2.68 119.26 119.04 3iss h ALA 92 Ca 0.00 0.00 0.43 0.00 0.00 0.00 0.00 54.91 55.34 3iss h ALA 92 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3iss h ALA 92 CO 0.00 0.00 1.12 0.77 0.00 0.00 0.00 179.25 181.14 3iss h SER 93 N 0.00 0.00 -0.01 0.00 0.02 -1.57 0.13 113.55 112.13 3iss h SER 93 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iss h SER 93 Cb 0.44 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3iss h SER 93 CO 0.00 0.00 0.31 -0.29 -1.14 0.00 0.00 176.83 175.71 3iss h ILE 94 N 0.00 0.01 0.00 3.27 6.09 -1.73 0.29 117.51 125.44 3iss h ILE 94 Ca 0.70 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.19 3iss h ILE 94 Cb 2.93 0.69 0.00 0.00 0.47 0.00 0.00 36.82 40.91 3iss h ILE 94 CO -0.01 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.86 3iss n TRP 95 N -2.92 0.15 -0.05 2.19 8.01 0.47 -2.01 117.44 123.28 3iss n TRP 95 Ca -0.02 0.06 -0.06 0.00 -1.31 0.00 0.00 57.50 56.17 3iss n TRP 95 Cb 0.36 -0.59 0.14 0.00 -2.01 0.00 0.00 31.31 29.21 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 2.45 0.98 -0.19 6.99 0.00 -1.16 -3.35 119.26 124.98 3iss h ALA 96 Ca 0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 3iss h ALA 96 Cb 0.26 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3iss h ALA 96 CO 0.00 0.60 -0.45 1.25 0.00 0.00 0.00 179.25 180.65 3iss h LEU 97 N 0.57 -1.43 0.02 0.00 5.85 -1.62 -2.50 115.31 116.21 3iss h LEU 97 Ca 0.08 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3iss h LEU 97 Cb 0.69 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 3iss h LEU 97 CO 0.05 -0.43 -0.46 1.23 -0.34 0.00 0.00 178.44 178.49 3iss h GLY 98 N -0.48 -0.90 0.96 3.75 0.00 -1.78 -2.03 103.07 102.59 3iss h GLY 98 Ca 0.08 0.56 0.01 0.00 0.00 0.00 0.00 47.33 47.98 3iss h GLY 98 CO -0.44 -0.25 0.33 -2.55 0.00 0.00 0.00 176.54 173.62 3iss h PRO 99 N -0.63 0.64 -0.45 4.80 0.11 -1.73 -1.20 132.00 133.54 3iss h PRO 99 Ca 0.03 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.19 3iss h PRO 99 Cb 0.69 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 31.58 3iss h PRO 99 CO -0.32 0.42 0.03 -0.07 -0.21 0.00 0.00 178.00 177.86 3iss h LEU 100 N 0.66 -0.12 -0.51 2.35 3.38 -1.17 -0.46 115.31 119.43 3iss h LEU 100 Ca 0.19 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 3iss h LEU 100 Cb -0.04 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3iss h LEU 100 CO -0.06 -0.03 -0.39 0.58 0.09 0.00 0.00 178.44 178.64 3iss h VAL 101 N 0.15 1.28 -0.80 1.22 2.07 -1.05 -0.02 116.25 119.11 3iss h VAL 101 Ca 0.23 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 3iss h VAL 101 Cb 0.32 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 31.50 3iss h VAL 101 CO -0.34 0.51 0.43 0.00 0.02 0.00 0.00 177.57 178.18 3iss h ALA 102 N 0.92 1.02 0.05 1.67 0.00 -0.66 -1.92 119.26 120.33 3iss h ALA 102 Ca 0.05 -0.13 -0.38 0.00 0.00 0.00 0.00 54.91 54.46 3iss h ALA 102 Cb 0.94 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 3iss h ALA 102 CO 0.09 0.54 -2.28 -2.13 0.00 0.00 0.00 179.25 175.47 3iss n ARG 103 N -4.40 0.69 0.00 0.00 0.63 -0.23 -4.56 116.66 108.79 3iss n ARG 103 Ca 0.08 0.19 0.05 0.00 -0.92 0.00 0.00 57.85 57.25 3iss n ARG 103 Cb 0.10 -1.60 0.02 0.00 0.45 0.00 0.00 32.46 31.44 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 -3.33 0.00 -0.87 -0.14 3.72 -0.03 -4.99 117.46 111.82 3iss n PHE 104 Ca -0.40 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 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 1.11 3.23 1.37 0.00 -0.72 -4.98 105.19 105.98 3iss n GLY 105 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 0.93 -0.30 1.61 -2.07 -1.25 -0.89 119.66 117.64 3iss s GLN 106 Ca 0.00 -1.11 -0.23 0.00 -1.82 0.00 0.00 55.36 52.20 3iss s GLN 106 Cb 0.00 0.33 0.18 0.00 -1.09 0.00 0.00 33.01 32.43 3iss s GLN 106 CO 0.00 -0.30 1.34 0.20 -1.32 0.00 0.00 175.29 175.21 3iss s GLY 107 N -2.92 0.33 -0.18 2.60 0.00 -0.58 -3.05 107.32 103.51 3iss s GLY 107 Ca 0.11 3.46 -0.01 0.00 0.00 0.00 0.00 44.72 48.29 3iss s GLY 107 CO -0.06 2.10 -0.04 1.20 0.00 0.00 0.00 173.10 176.30 3iss s GLN 108 N 0.28 1.35 -0.06 2.90 1.11 -0.01 -0.44 119.66 124.79 3iss s GLN 108 Ca 0.04 -0.57 0.05 0.00 0.01 0.00 0.00 55.36 54.88 3iss s GLN 108 Cb -0.04 -2.10 -0.00 0.00 -1.01 0.00 0.00 33.01 29.85 3iss s GLN 108 CO -0.13 -0.48 -0.20 0.08 0.01 0.00 0.00 175.29 174.56 3iss s VAL 109 N 1.63 1.68 0.21 1.09 1.01 -0.77 -0.58 120.40 124.67 3iss s VAL 109 Ca -0.01 -0.85 -0.32 0.00 0.00 0.00 0.00 61.98 60.81 3iss s VAL 109 Cb -0.16 -1.44 -0.12 0.00 0.00 0.00 0.00 36.38 34.66 3iss s VAL 109 CO -0.07 0.48 1.70 -0.24 0.00 0.00 0.00 175.10 176.96 3iss n SER 110 N 3.16 3.90 -4.67 3.32 2.88 -0.97 -0.44 113.62 120.80 3iss n SER 110 Ca -0.18 1.07 -0.42 0.00 -1.33 0.00 0.00 58.87 58.00 3iss n SER 110 Cb 0.53 -1.56 -0.03 0.00 -0.75 0.00 0.00 64.21 62.40 3iss n SER 110 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 3iss s LEU 111 N 1.04 4.28 0.28 2.46 1.98 -0.16 -4.84 118.68 123.72 3iss s LEU 111 Ca 0.75 2.03 -0.30 0.00 -2.89 0.00 0.00 54.13 53.72 3iss s LEU 111 Cb -0.52 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 42.68 3iss s LEU 111 CO 0.34 -0.81 1.52 -2.84 -1.89 0.00 0.00 176.35 172.67 3iss s PRO 112 N 3.35 4.18 0.00 0.98 0.02 -1.26 -5.00 135.00 137.27 3iss s PRO 112 Ca 0.65 2.46 0.00 0.00 0.02 0.00 0.00 61.00 64.13 3iss s PRO 112 Cb -0.29 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3iss s PRO 112 CO 0.24 -0.53 0.00 0.41 -0.33 0.00 0.00 177.00 176.79 3iss n GLY 113 N 2.09 1.02 3.84 0.52 0.00 -1.26 -5.02 105.19 106.39 3iss n GLY 113 Ca 0.07 -1.46 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 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 2.35 0.05 -0.02 0.00 -1.26 -4.90 107.32 103.54 3iss s GLY 114 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 44.72 44.90 3iss s GLY 114 CO 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 173.10 173.34 3iss h THR 116 N 4.43 0.08 -0.00 0.00 1.35 -1.98 -3.11 112.91 113.67 3iss h THR 116 Ca -0.38 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 3iss h THR 116 Cb 1.19 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3iss h THR 116 CO 0.41 0.02 -0.38 2.30 -0.25 0.00 0.00 175.52 177.63 3iss n ILE 117 N -3.15 0.00 -0.39 6.82 -5.35 -1.26 -4.90 119.36 111.13 3iss n ILE 117 Ca -0.01 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.43 3iss n ILE 117 Cb 0.22 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.36 3iss n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iss n GLY 118 N 1.44 0.74 3.70 3.28 0.00 -1.18 -3.42 105.19 109.76 3iss n GLY 118 Ca 0.08 -1.84 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 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 -1.01 3.63 -0.40 4.61 0.00 -1.26 -4.40 121.76 122.93 3iss s ALA 119 Ca 0.00 1.11 0.11 0.00 0.00 0.00 0.00 51.96 53.18 3iss s ALA 119 Cb 0.00 -3.59 0.34 0.00 0.00 0.00 0.00 23.12 19.87 3iss s ALA 119 CO 0.00 -0.80 0.76 0.54 0.00 0.00 0.00 175.76 176.25 3iss n ARG 120 N 4.62 1.30 -1.48 0.00 1.74 -1.26 -5.06 116.66 116.53 3iss n ARG 120 Ca 0.13 -3.60 -0.32 0.00 -0.77 0.00 0.00 57.85 53.29 3iss n ARG 120 Cb 0.42 -1.77 0.07 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.54 2.47 -0.17 5.56 0.04 -1.26 -4.98 135.00 134.11 3iss s PRO 121 Ca 0.41 1.30 0.15 0.00 0.04 0.00 0.00 61.00 62.90 3iss s PRO 121 Cb 0.33 -1.91 0.36 0.00 0.04 0.00 0.00 34.50 33.32 3iss s PRO 121 CO -0.09 -1.50 1.20 1.33 0.04 0.00 0.00 177.00 177.98 3iss n VAL 122 N -3.01 2.06 -0.32 -0.36 0.24 -1.26 -4.80 118.33 110.88 3iss n VAL 122 Ca 0.10 -2.66 0.21 0.00 -2.04 0.00 0.00 64.34 59.95 3iss n VAL 122 Cb 0.52 -0.24 0.48 0.00 -1.47 0.00 0.00 33.84 33.13 3iss n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3iss h ASP 123 N 0.50 0.49 0.24 -1.34 2.03 -2.00 -1.05 116.42 115.29 3iss h ASP 123 Ca 0.01 0.08 -0.14 0.00 -0.73 0.00 0.00 57.03 56.25 3iss h ASP 123 Cb 1.04 -0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 3iss h ASP 123 CO 0.02 0.12 -0.52 -0.07 -1.03 0.00 0.00 179.24 177.76 3iss h LEU 124 N 0.45 0.35 0.50 0.15 3.38 -1.99 0.42 115.31 118.57 3iss h LEU 124 Ca 0.58 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3iss h LEU 124 Cb 1.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3iss h LEU 124 CO -0.30 0.81 -0.24 0.45 0.09 0.00 0.00 178.44 179.25 3iss h HIS 125 N 0.25 -0.62 0.18 1.13 3.86 -1.54 -2.00 115.15 116.42 3iss h HIS 125 Ca 0.01 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3iss h HIS 125 Cb 1.00 0.20 -0.04 0.00 1.06 0.00 0.00 27.41 29.64 3iss h HIS 125 CO 0.02 -0.32 -0.35 0.82 0.86 0.00 0.00 177.93 178.96 3iss h ILE 126 N -0.81 0.27 -0.90 2.45 2.04 -1.39 -2.08 117.51 117.08 3iss h ILE 126 Ca -0.07 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.89 3iss h ILE 126 Cb 0.57 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.85 3iss h ILE 126 CO 0.11 0.00 0.58 -1.28 0.00 0.00 0.00 178.15 177.56 3iss h SER 127 N -0.62 0.80 -0.56 1.72 0.87 -0.98 -1.36 113.55 113.41 3iss h SER 127 Ca 0.01 0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3iss h SER 127 Cb 0.63 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3iss h SER 127 CO -0.17 0.47 0.24 1.23 -0.53 0.00 0.00 176.83 178.07 3iss h GLY 128 N 0.88 0.89 1.11 5.77 0.00 -0.88 -1.15 103.07 109.69 3iss h GLY 128 Ca 0.42 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 47.15 3iss h GLY 128 CO -0.18 0.44 -0.23 1.41 0.00 0.00 0.00 176.54 177.98 3iss h LEU 129 N 0.76 1.02 -1.00 3.11 3.38 -0.65 -1.99 115.31 119.95 3iss h LEU 129 Ca 0.19 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.71 3iss h LEU 129 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3iss h LEU 129 CO -0.02 1.20 0.20 -0.33 0.09 0.00 0.00 178.44 179.58 3iss h GLU 130 N 0.85 0.92 0.00 1.13 5.08 -1.10 -1.49 114.58 119.97 3iss h GLU 130 Ca 0.11 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3iss h GLU 130 Cb 0.81 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3iss h GLU 130 CO 0.07 0.79 -0.16 0.37 -1.00 0.00 0.00 179.01 179.08 3iss h GLN 131 N 0.90 0.00 -0.38 2.33 4.15 -0.89 -1.09 115.11 120.13 3iss h GLN 131 Ca 0.20 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3iss h GLN 131 Cb 0.25 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.94 3iss h GLN 131 CO -0.01 0.16 0.00 1.28 -1.93 0.00 0.00 178.83 178.33 3iss n LEU 132 N -3.41 1.84 0.00 -2.39 4.77 -0.64 -4.76 117.00 112.40 3iss n LEU 132 Ca -0.00 -0.92 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3iss n LEU 132 Cb 0.35 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3iss n LEU 132 CO 0.31 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 3iss n GLY 133 N 0.90 0.47 3.80 -0.72 0.00 -0.41 -1.74 105.19 107.49 3iss n GLY 133 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.12 2.88 -0.17 4.61 0.00 -0.72 -4.85 121.76 121.39 3iss s ALA 134 Ca 0.00 0.58 -0.06 0.00 0.00 0.00 0.00 51.96 52.48 3iss s ALA 134 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3iss s ALA 134 CO 0.00 -0.29 0.04 0.99 0.00 0.00 0.00 175.76 176.50 3iss s THR 135 N -2.01 4.56 -0.07 0.00 2.01 0.24 -4.25 115.64 116.12 3iss s THR 135 Ca 0.67 -0.12 0.02 0.00 0.31 0.00 0.00 61.69 62.57 3iss s THR 135 Cb -0.16 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.33 3iss s THR 135 CO 0.20 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.86 3iss s ILE 136 N 0.31 1.10 0.15 1.82 1.01 -1.26 -1.40 121.20 122.92 3iss s ILE 136 Ca 0.02 -0.44 0.04 0.00 0.00 0.00 0.00 60.65 60.27 3iss s ILE 136 Cb -0.13 -1.03 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3iss s ILE 136 CO 0.01 0.35 -0.08 -1.59 0.00 0.00 0.00 174.94 173.64 3iss s LYS 137 N 0.87 1.04 -0.27 2.79 -2.85 -0.32 -4.97 119.74 116.03 3iss s LYS 137 Ca -0.11 -1.45 0.02 0.00 -1.00 0.00 0.00 55.97 53.43 3iss s LYS 137 Cb -0.15 -0.50 0.05 0.00 -2.06 0.00 0.00 37.83 35.18 3iss s LYS 137 CO 0.01 0.02 -0.08 -1.17 0.10 0.00 0.00 175.35 174.23 3iss s LEU 138 N -3.15 3.51 -0.01 2.77 2.96 -1.26 0.55 118.68 124.05 3iss s LEU 138 Ca 0.17 -1.32 0.02 0.00 -0.22 0.00 0.00 54.13 52.78 3iss s LEU 138 Cb 0.04 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 3iss s LEU 138 CO 0.00 -0.20 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.93 3iss s GLU 139 N 1.15 0.59 -1.56 1.98 -1.05 -0.55 -4.80 118.70 114.46 3iss s GLU 139 Ca -0.07 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 3iss s GLU 139 Cb -0.20 -0.57 0.00 0.00 -0.44 0.00 0.00 34.13 32.92 3iss s GLU 139 CO -0.04 0.16 0.00 0.39 0.95 0.00 0.00 175.26 176.71 3iss n GLU 140 N 2.89 -1.80 -0.74 -4.83 1.02 -1.26 -0.94 120.64 114.99 3iss n GLU 140 Ca -0.13 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 3iss n GLU 140 Cb 0.57 -5.45 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 3iss n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iss n GLY 141 N -0.79 0.86 3.67 0.62 0.00 -1.26 -5.03 105.19 103.25 3iss n GLY 141 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 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 -3.42 3.27 -0.41 1.61 2.02 -0.11 -0.98 117.35 119.32 3iss s TYR 142 Ca 0.00 0.13 -0.27 0.00 -0.37 0.00 0.00 57.07 56.57 3iss s TYR 142 Cb 0.00 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 3iss s TYR 142 CO 0.00 0.28 0.98 0.54 -1.57 0.00 0.00 175.55 175.78 3iss s VAL 143 N -0.04 4.46 -0.30 0.71 0.11 0.41 -1.48 120.40 124.27 3iss s VAL 143 Ca 0.06 1.12 -0.08 0.00 -2.93 0.00 0.00 61.98 60.15 3iss s VAL 143 Cb -0.12 -4.43 0.00 0.00 -1.53 0.00 0.00 36.38 30.30 3iss s VAL 143 CO 0.01 -0.72 0.11 -0.54 -3.33 0.00 0.00 175.10 170.63 3iss s LYS 144 N 3.78 3.22 0.06 1.54 1.02 0.19 -1.85 119.74 127.71 3iss s LYS 144 Ca 0.41 -0.78 0.04 0.00 0.02 0.00 0.00 55.97 55.65 3iss s LYS 144 Cb -0.10 -3.45 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 3iss s LYS 144 CO 0.23 -0.42 -0.01 0.00 -0.92 0.00 0.00 175.35 174.24 3iss s ALA 145 N 1.55 3.26 -0.03 5.17 0.00 0.42 -1.17 121.76 130.96 3iss s ALA 145 Ca 0.04 -1.07 -0.24 0.00 0.00 0.00 0.00 51.96 50.69 3iss s ALA 145 Cb -0.17 -1.21 0.05 0.00 0.00 0.00 0.00 23.12 21.78 3iss s ALA 145 CO 0.04 0.68 0.51 -1.54 0.00 0.00 0.00 175.76 175.45 3iss s SER 146 N -2.05 -0.45 -0.10 0.00 1.04 -0.50 -1.53 113.70 110.12 3iss s SER 146 Ca 0.23 0.41 -0.06 0.00 0.48 0.00 0.00 55.95 57.02 3iss s SER 146 Cb -0.12 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3iss s SER 146 CO 0.15 -0.55 0.24 0.54 0.98 0.00 0.00 173.24 174.60 3iss s VAL 147 N -1.33 -0.03 -0.61 5.02 0.11 -0.07 -0.59 120.40 122.90 3iss s VAL 147 Ca -0.12 0.09 -0.28 0.00 -2.93 0.00 0.00 61.98 58.75 3iss s VAL 147 Cb -0.02 -0.36 0.02 0.00 -1.53 0.00 0.00 36.38 34.49 3iss s VAL 147 CO 0.07 0.04 1.38 -0.62 -3.33 0.00 0.00 175.10 172.64 3iss s ASP 148 N 0.84 6.12 0.25 3.54 2.15 -1.26 -4.70 116.67 123.61 3iss s ASP 148 Ca -0.06 0.07 0.00 0.00 0.43 0.00 0.00 52.55 52.99 3iss s ASP 148 Cb -0.07 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.00 3iss s ASP 148 CO -0.05 -1.76 0.00 0.61 -0.17 0.00 0.00 175.17 173.80 3iss n GLY 149 N 5.29 0.66 3.60 2.66 0.00 -1.26 -4.94 105.19 111.20 3iss n GLY 149 Ca 0.10 -1.15 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 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 1.97 0.83 1.61 1.70 -1.26 -4.69 118.95 119.11 3iss s ARG 150 Ca 0.00 -1.83 -0.11 0.00 -0.47 0.00 0.00 55.73 53.31 3iss s ARG 150 Cb 0.00 -1.83 0.09 0.00 -0.57 0.00 0.00 34.95 32.63 3iss s ARG 150 CO 0.00 0.13 1.09 -0.51 -1.08 0.00 0.00 175.30 174.93 3iss s LEU 151 N -3.68 2.65 -0.13 -1.89 1.43 -1.26 -4.80 118.68 111.00 3iss s LEU 151 Ca 0.34 1.61 0.02 0.00 -1.03 0.00 0.00 54.13 55.08 3iss s LEU 151 Cb 0.01 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 42.05 3iss s LEU 151 CO 0.18 -2.27 -0.20 -0.54 0.23 0.00 0.00 176.35 173.75 3iss s LYS 152 N -4.95 3.10 0.34 1.70 1.02 -0.71 0.18 119.74 120.42 3iss s LYS 152 Ca 0.62 -0.83 -0.25 0.00 0.02 0.00 0.00 55.97 55.54 3iss s LYS 152 Cb -0.17 -2.46 -0.14 0.00 -0.52 0.00 0.00 37.83 34.54 3iss s LYS 152 CO 0.56 0.06 0.58 0.41 -0.92 0.00 0.00 175.35 176.04 3iss n GLY 153 N 3.88 -1.44 3.38 -3.33 0.00 -0.31 -4.59 105.19 102.79 3iss n GLY 153 Ca -0.19 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.31 -0.42 -0.48 4.61 0.00 -1.13 -4.77 121.76 118.26 3iss s ALA 154 Ca 0.62 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.83 3iss s ALA 154 Cb -0.70 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3iss s ALA 154 CO 0.59 -0.68 0.63 -1.58 0.00 0.00 0.00 175.76 174.71 3iss s HIS 155 N -3.91 3.05 -0.23 0.00 2.46 -1.26 -0.51 115.29 114.89 3iss s HIS 155 Ca 0.12 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.27 3iss s HIS 155 Cb 0.02 -3.44 0.01 0.00 -0.13 0.00 0.00 32.58 29.04 3iss s HIS 155 CO -0.03 -0.97 -0.06 0.42 -2.47 0.00 0.00 174.74 171.63 3iss s ILE 156 N 2.70 3.00 -0.33 0.89 1.01 0.16 -4.96 121.20 123.67 3iss s ILE 156 Ca 0.18 -0.81 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 3iss s ILE 156 Cb -0.17 -2.44 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 3iss s ILE 156 CO 0.14 0.31 0.23 -0.69 0.00 0.00 0.00 174.94 174.94 3iss s VAL 157 N 1.38 5.26 -0.08 2.92 1.01 -1.26 -0.34 120.40 129.29 3iss s VAL 157 Ca 0.03 -0.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3iss s VAL 157 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 3iss s VAL 157 CO -0.05 0.04 1.02 -0.04 0.00 0.00 0.00 175.10 176.07 3iss s MET 158 N 1.72 4.44 0.18 2.72 1.00 -0.10 -4.95 119.30 124.32 3iss s MET 158 Ca 0.06 1.43 -0.14 0.00 0.00 0.00 0.00 55.69 57.04 3iss s MET 158 Cb -0.17 -3.53 0.16 0.00 0.00 0.00 0.00 34.83 31.30 3iss s MET 158 CO 0.10 -0.28 1.69 -0.44 0.00 0.00 0.00 175.02 176.09 3iss h ASP 159 N 7.07 -0.20 -4.84 3.03 3.32 -1.93 -3.44 116.42 119.43 3iss h ASP 159 Ca -0.33 0.11 -0.32 0.00 0.02 0.00 0.00 57.03 56.51 3iss h ASP 159 Cb 1.16 0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.76 3iss h ASP 159 CO 0.84 -0.06 -0.61 -1.59 -1.72 0.00 0.00 179.24 176.09 3iss s LYS 160 N -6.17 1.36 -0.13 3.56 -2.85 -1.26 -5.13 119.74 109.12 3iss s LYS 160 Ca -0.13 -1.73 -0.29 0.00 -1.00 0.00 0.00 55.97 52.81 3iss s LYS 160 Cb 0.15 -0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.82 3iss s LYS 160 CO 0.72 -0.33 1.11 0.08 0.10 0.00 0.00 175.35 177.03 3iss s VAL 161 N -3.87 4.53 -0.08 1.79 1.01 -1.26 -4.99 120.40 117.53 3iss s VAL 161 Ca 0.38 1.83 -0.03 0.00 0.00 0.00 0.00 61.98 64.16 3iss s VAL 161 Cb 0.07 -4.18 0.04 0.00 0.00 0.00 0.00 36.38 32.32 3iss s VAL 161 CO 0.13 -0.06 0.12 -0.55 0.00 0.00 0.00 175.10 174.75 3iss s SER 162 N 1.37 0.99 0.10 3.32 0.15 -1.26 -5.01 113.70 113.35 3iss s SER 162 Ca 0.51 0.18 -0.22 0.00 0.70 0.00 0.00 55.95 57.12 3iss s SER 162 Cb -0.20 0.11 -0.12 0.00 -1.71 0.00 0.00 66.02 64.10 3iss s SER 162 CO 0.16 -0.25 1.75 0.58 1.20 0.00 0.00 173.24 176.67 3iss h VAL 163 N 6.39 1.00 0.15 4.45 2.07 -1.95 -2.07 116.25 126.29 3iss h VAL 163 Ca -0.13 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3iss h VAL 163 Cb 1.12 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 3iss h VAL 163 CO 0.16 0.01 -0.09 1.23 0.02 0.00 0.00 177.57 178.90 3iss h GLY 164 N 0.07 -0.23 1.09 2.17 0.00 -2.00 -1.79 103.07 102.39 3iss h GLY 164 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 3iss h GLY 164 CO -0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 176.54 176.41 3iss h ALA 165 N 0.62 0.82 -0.59 3.60 0.00 -1.92 -0.93 119.26 120.85 3iss h ALA 165 Ca -0.01 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3iss h ALA 165 Cb 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3iss h ALA 165 CO 0.01 0.67 0.30 1.15 0.00 0.00 0.00 179.25 181.39 3iss h THR 166 N 0.98 0.93 -0.33 0.00 2.02 -1.21 -0.03 112.91 115.27 3iss h THR 166 Ca 0.17 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3iss h THR 166 Cb 0.58 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3iss h THR 166 CO 0.03 0.10 0.06 0.58 0.37 0.00 0.00 175.52 176.67 3iss h VAL 167 N 0.57 1.23 -0.20 3.16 2.07 -0.99 -1.24 116.25 120.85 3iss h VAL 167 Ca 0.27 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3iss h VAL 167 Cb 0.19 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3iss h VAL 167 CO -0.19 0.27 -0.07 0.74 0.02 0.00 0.00 177.57 178.34 3iss h THR 168 N 0.38 0.76 -0.19 2.57 2.02 -0.46 -1.48 112.91 116.51 3iss h THR 168 Ca 0.10 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3iss h THR 168 Cb 0.34 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3iss h THR 168 CO 0.01 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 176.20 3iss h ILE 169 N -0.03 1.31 -0.42 3.11 2.04 -1.01 -2.23 117.51 120.28 3iss h ILE 169 Ca 0.10 -1.16 0.06 0.00 1.00 0.00 0.00 64.86 64.86 3iss h ILE 169 Cb 0.18 1.65 -0.05 0.00 -0.74 0.00 0.00 36.82 37.86 3iss h ILE 169 CO -0.22 0.35 0.12 -0.03 0.00 0.00 0.00 178.15 178.37 3iss h MET 170 N 0.10 0.26 -0.39 2.37 4.05 -1.02 -0.80 114.93 119.49 3iss h MET 170 Ca 0.04 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 3iss h MET 170 Cb 0.58 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 3iss h MET 170 CO 0.03 0.17 0.09 0.00 0.23 0.00 0.00 176.91 177.43 3iss h ALA 172 N 0.94 1.38 0.00 0.00 0.00 -0.88 -2.72 119.26 117.98 3iss h ALA 172 Ca 0.12 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3iss h ALA 172 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iss h ALA 172 CO 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 179.25 179.47 3iss h ALA 173 N 1.51 1.13 0.00 0.00 0.00 -0.96 -3.08 119.26 117.86 3iss h ALA 173 Ca 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iss h ALA 173 Cb 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iss h ALA 173 CO 0.01 0.27 0.00 1.79 0.00 0.00 0.00 179.25 181.33 3iss h THR 174 N 0.00 0.00 -0.05 0.00 1.35 -1.44 -0.60 112.91 112.18 3iss h THR 174 Ca -0.00 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 65.78 3iss h THR 174 Cb 0.61 0.79 -0.01 0.00 -1.73 0.00 0.00 68.15 67.81 3iss h THR 174 CO 0.03 0.00 -0.30 0.18 -0.25 0.00 0.00 175.52 175.18 3iss n LEU 175 N -2.62 2.82 -5.01 3.87 4.77 -1.16 -2.08 117.00 117.59 3iss n LEU 175 Ca -0.02 -3.64 -0.17 0.00 -0.03 0.00 0.00 56.01 52.15 3iss n LEU 175 Cb 0.09 -0.52 0.01 0.00 -2.33 0.00 0.00 43.42 40.67 3iss n LEU 175 CO 0.16 1.18 0.14 0.00 -1.33 0.00 0.00 177.39 177.53 3iss s ALA 176 N -3.13 4.49 -0.47 -1.18 0.00 -0.23 -4.47 121.76 116.77 3iss s ALA 176 Ca 0.37 -1.64 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 3iss s ALA 176 Cb 0.35 -1.64 0.03 0.00 0.00 0.00 0.00 23.12 21.86 3iss s ALA 176 CO -0.03 -0.25 0.94 -1.21 0.00 0.00 0.00 175.76 175.21 3iss s GLU 177 N -4.33 3.52 0.30 0.00 2.02 0.13 -4.03 118.70 116.32 3iss s GLU 177 Ca 0.54 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.68 3iss s GLU 177 Cb -0.10 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.20 3iss s GLU 177 CO 0.33 -1.25 0.00 0.41 0.02 0.00 0.00 175.26 174.77 3iss n GLY 178 N 4.95 -1.30 3.57 -1.39 0.00 -1.26 -1.16 105.19 108.60 3iss n GLY 178 Ca 0.06 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.88 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 4.40 -0.11 2.61 2.01 -1.26 -0.63 115.64 122.65 3iss s THR 179 Ca 0.00 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 3iss s THR 179 Cb 0.00 -2.97 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 3iss s THR 179 CO 0.00 0.46 0.04 -0.89 -0.69 0.00 0.00 174.62 173.55 3iss s THR 180 N 0.46 4.65 -0.16 -0.82 2.01 0.55 -2.83 115.64 119.51 3iss s THR 180 Ca 0.00 -0.11 0.00 0.00 0.31 0.00 0.00 61.69 61.90 3iss s THR 180 Cb -0.13 -3.00 0.02 0.00 0.01 0.00 0.00 72.50 69.41 3iss s THR 180 CO 0.02 0.58 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.76 3iss s ILE 181 N -0.70 1.61 -0.35 1.82 1.01 0.33 -0.90 121.20 124.02 3iss s ILE 181 Ca 0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 3iss s ILE 181 Cb -0.12 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 3iss s ILE 181 CO 0.02 0.44 0.32 -0.63 0.00 0.00 0.00 174.94 175.09 3iss s ILE 182 N 1.47 5.21 -0.11 2.92 1.01 -0.11 0.36 121.20 131.96 3iss s ILE 182 Ca 0.04 -0.15 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3iss s ILE 182 Cb -0.13 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.48 3iss s ILE 182 CO -0.11 -0.11 0.17 -1.61 0.00 0.00 0.00 174.94 173.28 3iss s GLU 183 N 1.89 3.48 -0.86 2.79 0.41 0.53 -1.53 118.70 125.43 3iss s GLU 183 Ca 0.09 -0.09 -0.05 0.00 -0.41 0.00 0.00 54.97 54.51 3iss s GLU 183 Cb -0.17 -3.19 0.01 0.00 -1.78 0.00 0.00 34.13 28.99 3iss s GLU 183 CO 0.11 0.77 0.67 -1.71 -0.49 0.00 0.00 175.26 174.61 3iss n ASN 184 N 1.94 -4.66 -4.81 -0.19 4.05 -0.56 -0.92 115.26 110.10 3iss n ASN 184 Ca -0.19 -0.31 -0.31 0.00 0.45 0.00 0.00 54.58 54.22 3iss n ASN 184 Cb 0.55 -3.29 0.04 0.00 1.23 0.00 0.00 39.78 38.31 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 -3.15 2.68 0.33 5.20 0.00 -0.42 -4.56 121.76 121.83 3iss s ALA 185 Ca 0.33 0.17 -0.27 0.00 0.00 0.00 0.00 51.96 52.19 3iss s ALA 185 Cb -0.15 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.69 3iss s ALA 185 CO 0.41 -1.15 1.03 0.00 0.00 0.00 0.00 175.76 176.05 3iss s ALA 186 N -2.90 3.24 -1.63 0.00 0.00 -1.26 -4.50 121.76 114.71 3iss s ALA 186 Ca 0.59 0.72 0.18 0.00 0.00 0.00 0.00 51.96 53.45 3iss s ALA 186 Cb -0.15 -3.26 0.49 0.00 0.00 0.00 0.00 23.12 20.20 3iss s ALA 186 CO 0.51 -0.07 1.41 0.54 0.00 0.00 0.00 175.76 178.14 3iss n ARG 187 N 0.63 2.70 -1.59 0.00 3.00 -1.26 -4.66 116.66 115.48 3iss n ARG 187 Ca 0.02 -2.38 -0.45 0.00 -0.01 0.00 0.00 57.85 55.03 3iss n ARG 187 Cb 0.48 -1.45 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 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 1.21 1.33 -0.34 5.56 4.71 -1.26 -4.59 120.64 127.26 3iss n GLU 188 Ca 0.19 0.47 0.19 0.00 -0.01 0.00 0.00 57.16 58.00 3iss n GLU 188 Cb 0.54 -1.87 0.42 0.00 -1.01 0.00 0.00 31.44 29.52 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 2.33 0.50 0.00 3.49 0.11 -1.96 0.23 132.00 136.70 3iss h PRO 189 Ca -0.40 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3iss h PRO 189 Cb 1.34 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iss h PRO 189 CO 0.63 0.33 -0.09 0.93 -0.21 0.00 0.00 178.00 179.59 3iss h GLU 190 N 0.52 0.00 0.02 1.05 3.07 -1.89 -0.09 114.58 117.25 3iss h GLU 190 Ca 0.66 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 59.30 3iss h GLU 190 Cb 1.34 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.25 3iss h GLU 190 CO -0.48 0.09 -0.95 0.82 -1.40 0.00 0.00 179.01 177.09 3iss h ILE 191 N 0.00 1.45 -0.05 3.13 2.04 -0.88 -1.62 117.51 121.58 3iss h ILE 191 Ca -0.00 -2.59 -0.00 0.00 1.00 0.00 0.00 64.86 63.27 3iss h ILE 191 Cb 0.34 2.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3iss h ILE 191 CO 0.01 0.76 0.01 0.58 0.00 0.00 0.00 178.15 179.52 3iss h VAL 192 N 0.17 1.18 -0.72 1.67 2.07 -0.91 -1.38 116.25 118.33 3iss h VAL 192 Ca -0.07 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 66.94 3iss h VAL 192 Cb 1.60 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.77 3iss h VAL 192 CO 0.16 0.15 0.44 -0.78 0.02 0.00 0.00 177.57 177.56 3iss h ASP 193 N -0.12 0.71 -0.47 0.57 3.58 -1.19 -0.02 116.42 119.48 3iss h ASP 193 Ca 0.02 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.44 3iss h ASP 193 Cb 0.23 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 3iss h ASP 193 CO -0.00 0.48 0.18 0.74 -2.88 0.00 0.00 179.24 177.76 3iss h THR 194 N 0.85 1.21 -0.48 2.25 2.02 -1.17 -1.02 112.91 116.57 3iss h THR 194 Ca 0.30 -0.67 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3iss h THR 194 Cb 0.06 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 3iss h THR 194 CO -0.13 0.25 0.29 0.00 0.37 0.00 0.00 175.52 176.31 3iss h ALA 195 N 1.03 0.61 -0.14 6.16 0.00 -0.69 -1.45 119.26 124.77 3iss h ALA 195 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3iss h ALA 195 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3iss h ALA 195 CO -0.01 0.00 -0.11 -0.91 0.00 0.00 0.00 179.25 178.22 3iss h ASN 196 N 0.59 0.20 -0.25 0.00 2.35 -0.58 0.27 115.58 118.17 3iss h ASN 196 Ca 0.19 -0.04 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 3iss h ASN 196 Cb -0.01 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 3iss h ASN 196 CO -0.07 0.34 -0.22 0.15 -1.65 0.00 0.00 177.43 175.99 3iss h PHE 197 N 0.21 0.70 -0.40 1.19 3.57 -1.00 -2.48 116.94 118.75 3iss h PHE 197 Ca 0.04 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.37 3iss h PHE 197 Cb 0.33 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3iss h PHE 197 CO 0.00 0.90 0.21 -0.07 -2.23 0.00 0.00 178.31 177.12 3iss h LEU 198 N 0.31 0.31 -0.83 0.59 3.38 -0.36 -2.25 115.31 116.45 3iss h LEU 198 Ca 0.04 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3iss h LEU 198 Cb 0.76 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 3iss h LEU 198 CO 0.06 0.23 0.54 0.40 0.09 0.00 0.00 178.44 179.75 3iss h ILE 199 N 0.42 1.14 -0.62 1.22 2.04 -0.99 -0.81 117.51 119.90 3iss h ILE 199 Ca 0.16 -0.36 0.14 0.00 1.00 0.00 0.00 64.86 65.81 3iss h ILE 199 Cb 0.06 -0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.10 3iss h ILE 199 CO -0.10 0.19 0.43 0.74 0.00 0.00 0.00 178.15 179.41 3iss h THR 200 N 1.05 0.78 -0.00 -0.27 2.02 -0.93 0.07 112.91 115.63 3iss h THR 200 Ca 0.33 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.44 3iss h THR 200 Cb -0.00 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3iss h THR 200 CO -0.11 0.04 -0.22 0.18 0.37 0.00 0.00 175.52 175.78 3iss n LEU 201 N -4.43 0.37 0.00 2.58 4.77 -0.33 -4.88 117.00 115.07 3iss n LEU 201 Ca 0.11 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3iss n LEU 201 Cb 0.54 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 3iss n LEU 201 CO 0.35 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 3iss n GLY 202 N 1.43 1.74 3.31 -0.72 0.00 0.00 -1.07 105.19 109.88 3iss n GLY 202 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 2.01 -0.63 4.61 0.00 -1.11 -4.90 121.76 119.75 3iss s ALA 203 Ca 0.00 -1.21 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 3iss s ALA 203 Cb 0.00 -0.38 0.15 0.00 0.00 0.00 0.00 23.12 22.90 3iss s ALA 203 CO 0.00 0.46 0.59 0.21 0.00 0.00 0.00 175.76 177.02 3iss s LYS 204 N -1.43 3.18 -0.09 0.00 2.20 -1.26 -3.95 119.74 118.38 3iss s LYS 204 Ca 0.10 -1.91 0.04 0.00 -0.36 0.00 0.00 55.97 53.83 3iss s LYS 204 Cb -0.10 -4.34 -0.00 0.00 -1.51 0.00 0.00 37.83 31.88 3iss s LYS 204 CO 0.03 -1.33 -0.23 0.42 -0.36 0.00 0.00 175.35 173.87 3iss s ILE 205 N 1.24 2.15 -0.02 5.43 1.01 -1.26 -1.74 121.20 128.01 3iss s ILE 205 Ca 0.08 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.76 3iss s ILE 205 Cb -0.24 -1.82 -0.00 0.00 0.01 0.00 0.00 42.46 40.41 3iss s ILE 205 CO -0.00 0.56 -0.10 -0.94 0.00 0.00 0.00 174.94 174.46 3iss s SER 206 N 0.24 1.23 0.00 3.58 1.04 -0.43 -4.86 113.70 114.50 3iss s SER 206 Ca -0.15 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3iss s SER 206 Cb -0.17 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.72 3iss s SER 206 CO 0.08 0.10 0.00 0.61 0.98 0.00 0.00 173.24 175.01 3iss n GLY 207 N 3.04 0.77 3.65 7.32 0.00 -1.26 -0.44 105.19 118.26 3iss n GLY 207 Ca -0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.96 1.86 -0.11 1.61 0.00 -1.26 -0.58 117.38 117.94 3iss n GLN 208 Ca 0.00 0.67 0.00 0.00 0.00 0.00 0.00 57.00 57.67 3iss n GLN 208 Cb 0.00 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 27.92 3iss n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3iss n GLY 209 N 2.41 0.82 3.76 2.61 0.00 -1.26 -4.93 105.19 108.61 3iss n GLY 209 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.41 1.69 -0.87 2.61 -4.23 0.25 -4.81 115.64 107.87 3iss s THR 210 Ca 0.00 -1.82 0.27 0.00 -1.18 0.00 0.00 61.69 58.96 3iss s THR 210 Cb 0.00 -2.51 0.26 0.00 1.34 0.00 0.00 72.50 71.59 3iss s THR 210 CO 0.00 0.00 1.85 -0.90 -0.54 0.00 0.00 174.62 175.03 3iss n ASP 211 N -1.31 0.39 -4.49 3.99 5.75 -1.26 -4.63 116.55 114.99 3iss n ASP 211 Ca -0.09 0.54 -0.33 0.00 -0.01 0.00 0.00 54.79 54.90 3iss n ASP 211 Cb 0.66 -0.64 -0.13 0.00 -1.03 0.00 0.00 41.12 39.98 3iss n ASP 211 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3iss s ARG 212 N -3.05 2.81 -0.04 0.11 3.52 -1.26 -1.30 118.95 119.73 3iss s ARG 212 Ca 0.12 -0.64 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 3iss s ARG 212 Cb 0.16 -2.51 0.03 0.00 -1.56 0.00 0.00 34.95 31.07 3iss s ARG 212 CO 0.55 0.53 0.08 0.42 -0.81 0.00 0.00 175.30 176.07 3iss s ILE 213 N -0.48 -0.08 -0.15 4.11 1.01 -0.58 -4.45 121.20 120.58 3iss s ILE 213 Ca 0.06 0.25 0.02 0.00 0.00 0.00 0.00 60.65 60.99 3iss s ILE 213 Cb -0.12 -0.15 0.01 0.00 0.01 0.00 0.00 42.46 42.21 3iss s ILE 213 CO 0.02 0.10 -0.21 -0.69 0.00 0.00 0.00 174.94 174.16 3iss s VAL 214 N 1.38 2.02 -0.14 2.92 1.01 0.41 -0.93 120.40 127.07 3iss s VAL 214 Ca -0.06 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 60.99 3iss s VAL 214 Cb -0.12 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3iss s VAL 214 CO -0.04 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 3iss s ILE 215 N 1.00 2.38 -0.38 2.22 1.09 -0.08 -1.32 121.20 126.11 3iss s ILE 215 Ca -0.03 -0.88 -0.12 0.00 -1.10 0.00 0.00 60.65 58.53 3iss s ILE 215 Cb -0.15 -1.97 0.02 0.00 -1.06 0.00 0.00 42.46 39.30 3iss s ILE 215 CO -0.06 0.53 0.22 -0.70 -0.10 0.00 0.00 174.94 174.84 3iss s GLU 216 N 0.74 2.90 0.35 2.79 2.56 -0.71 -0.33 118.70 127.00 3iss s GLU 216 Ca -0.08 -1.04 -0.28 0.00 0.00 0.00 0.00 54.97 53.57 3iss s GLU 216 Cb -0.16 -3.77 -0.12 0.00 2.00 0.00 0.00 34.13 32.08 3iss s GLU 216 CO 0.00 -0.69 1.39 0.41 -0.56 0.00 0.00 175.26 175.82 3iss n GLY 217 N 5.03 0.87 0.00 -1.50 0.00 0.19 -4.07 105.19 105.72 3iss n GLY 217 Ca -0.12 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3iss n GLY 217 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iss n VAL 218 N 0.55 0.00 -0.01 1.61 0.24 -0.89 -4.68 118.33 115.15 3iss n VAL 218 Ca 0.04 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.33 3iss n VAL 218 Cb 0.37 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.38 3iss n VAL 218 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3iss n GLU 219 N -0.05 3.00 -3.65 7.34 2.13 -1.26 -4.37 120.64 123.79 3iss n GLU 219 Ca 0.00 -0.01 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3iss n GLU 219 Cb 0.00 -1.07 -0.02 0.00 0.27 0.00 0.00 31.44 30.62 3iss n GLU 219 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3iss s ARG 220 N -2.09 1.47 -0.00 5.31 0.52 -1.26 -5.05 118.95 117.85 3iss s ARG 220 Ca -0.01 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.50 3iss s ARG 220 Cb 0.01 0.57 -0.00 0.00 0.52 0.00 0.00 34.95 36.05 3iss s ARG 220 CO 0.11 -0.66 -0.03 -0.51 0.02 0.00 0.00 175.30 174.23 3iss s LEU 221 N -2.82 1.97 0.00 2.53 1.02 -1.26 -4.95 118.68 115.16 3iss s LEU 221 Ca 0.07 -0.05 0.00 0.00 0.02 0.00 0.00 54.13 54.17 3iss s LEU 221 Cb -0.03 -0.14 0.00 0.00 0.02 0.00 0.00 46.19 46.03 3iss s LEU 221 CO -0.03 0.03 0.00 0.61 0.02 0.00 0.00 176.35 176.98 3iss n GLY 222 N 3.06 1.58 0.00 -3.19 0.00 -0.23 0.15 105.19 106.56 3iss n GLY 222 Ca -0.13 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 5.88 0.00 -0.02 0.00 -1.09 -3.39 105.19 111.58 3iss n GLY 223 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 4.23 -0.25 3.10 -0.02 0.00 -0.19 -4.58 105.19 107.49 3iss n GLY 224 Ca 0.00 -1.50 -0.25 0.00 0.00 0.00 0.00 46.02 44.27 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 -2.69 1.28 -0.06 1.61 1.01 -1.26 -0.91 120.40 119.38 3iss s VAL 225 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3iss s VAL 225 Cb 0.00 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.29 3iss s VAL 225 CO 0.00 0.37 0.16 -0.47 0.00 0.00 0.00 175.10 175.16 3iss s TYR 226 N 0.13 -0.18 -0.18 5.22 5.04 -0.66 -5.00 117.35 121.72 3iss s TYR 226 Ca -0.05 0.46 -0.07 0.00 -2.44 0.00 0.00 57.07 54.97 3iss s TYR 226 Cb -0.11 0.02 -0.04 0.00 0.35 0.00 0.00 41.96 42.18 3iss s TYR 226 CO 0.02 -0.11 0.05 0.50 -1.34 0.00 0.00 175.55 174.67 3iss s ARG 227 N 0.45 3.94 0.18 4.97 3.52 -1.26 0.05 118.95 130.79 3iss s ARG 227 Ca -0.03 -0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 3iss s ARG 227 Cb -0.04 -3.19 -0.08 0.00 -1.56 0.00 0.00 34.95 30.08 3iss s ARG 227 CO -0.02 0.26 1.10 0.08 -0.81 0.00 0.00 175.30 175.90 3iss s VAL 228 N 0.40 3.88 1.05 7.11 1.01 -0.81 -4.94 120.40 128.08 3iss s VAL 228 Ca 0.02 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.51 3iss s VAL 228 Cb -0.13 -4.04 0.22 0.00 0.00 0.00 0.00 36.38 32.43 3iss s VAL 228 CO 0.01 0.28 1.07 -1.48 0.00 0.00 0.00 175.10 174.98 3iss s LEU 229 N -0.38 1.57 0.61 3.92 2.34 -1.26 -4.66 118.68 120.82 3iss s LEU 229 Ca 0.49 1.58 -0.16 0.00 0.06 0.00 0.00 54.13 56.10 3iss s LEU 229 Cb -0.29 -3.71 -0.03 0.00 -0.56 0.00 0.00 46.19 41.60 3iss s LEU 229 CO 0.35 -3.56 1.08 -2.84 -1.06 0.00 0.00 176.35 170.32 3iss s PRO 230 N -4.66 3.13 -0.53 1.48 0.02 -1.26 -0.65 135.00 132.53 3iss s PRO 230 Ca 0.67 1.31 -0.26 0.00 0.02 0.00 0.00 61.00 62.74 3iss s PRO 230 Cb -0.22 -2.00 0.03 0.00 0.02 0.00 0.00 34.50 32.33 3iss s PRO 230 CO 0.61 -0.98 1.03 0.34 -0.33 0.00 0.00 177.00 177.67 3iss s ASP 231 N -2.61 6.44 0.45 2.53 -1.08 -0.67 -4.30 116.67 117.43 3iss s ASP 231 Ca 0.66 -0.02 0.17 0.00 -0.52 0.00 0.00 52.55 52.83 3iss s ASP 231 Cb -0.18 -2.48 1.06 0.00 -1.46 0.00 0.00 42.92 39.85 3iss s ASP 231 CO 0.37 -1.26 1.99 0.08 0.52 0.00 0.00 175.17 176.88 3iss h ARG 232 N 9.31 0.00 -0.14 4.34 0.11 -1.93 -1.62 114.38 124.46 3iss h ARG 232 Ca -0.25 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 1.10 0.19 -0.27 0.82 0.10 0.00 0.00 179.97 181.91 3iss h ILE 233 N 0.00 1.37 -0.82 0.08 1.08 -1.96 -0.09 117.51 117.18 3iss h ILE 233 Ca -0.00 -1.54 -0.02 0.00 -0.39 0.00 0.00 64.86 62.91 3iss h ILE 233 Cb 0.35 2.03 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 3iss h ILE 233 CO 0.02 0.46 0.42 -0.08 -0.69 0.00 0.00 178.15 178.28 3iss h GLU 234 N 0.02 1.15 -0.19 2.37 4.81 -1.91 -0.77 114.58 120.07 3iss h GLU 234 Ca 0.00 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.11 3iss h GLU 234 Cb 0.86 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 3iss h GLU 234 CO 0.06 0.86 0.05 1.15 -0.73 0.00 0.00 179.01 180.40 3iss h THR 235 N 1.15 0.94 -0.82 0.32 2.02 -1.14 -2.44 112.91 112.93 3iss h THR 235 Ca 0.28 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.41 3iss h THR 235 Cb 0.07 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.23 3iss h THR 235 CO -0.04 0.02 0.48 1.23 0.37 0.00 0.00 175.52 177.59 3iss h GLY 236 N 0.13 1.21 1.01 2.16 0.00 -0.62 -1.72 103.07 105.24 3iss h GLY 236 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3iss h GLY 236 CO -0.10 0.50 0.51 -0.84 0.00 0.00 0.00 176.54 176.61 3iss h THR 237 N 1.14 1.21 0.07 4.70 2.02 -0.74 0.24 112.91 121.55 3iss h THR 237 Ca 0.29 -0.43 -0.28 0.00 0.77 0.00 0.00 66.41 66.76 3iss h THR 237 Cb -0.02 0.06 0.03 0.00 -1.74 0.00 0.00 68.15 66.48 3iss h THR 237 CO -0.05 0.21 -1.16 -0.26 0.37 0.00 0.00 175.52 174.63 3iss h PHE 238 N 1.09 1.02 -0.85 3.16 0.04 -1.25 -1.12 116.94 119.03 3iss h PHE 238 Ca 0.29 -0.60 0.15 0.00 2.80 0.00 0.00 57.97 60.61 3iss h PHE 238 Cb -0.09 -0.10 -0.09 0.00 2.20 0.00 0.00 35.95 37.87 3iss h PHE 238 CO -0.01 1.44 0.43 -0.07 -0.60 0.00 0.00 178.31 179.50 3iss h LEU 239 N 0.33 0.52 -0.52 1.54 3.38 -1.03 -1.44 115.31 118.09 3iss h LEU 239 Ca -0.16 0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 239 Cb 1.82 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 3iss h LEU 239 CO 0.22 0.21 -0.33 0.58 0.09 0.00 0.00 178.44 179.21 3iss h VAL 240 N 0.61 1.28 -0.95 1.22 2.07 -0.85 -2.03 116.25 117.60 3iss h VAL 240 Ca 0.47 -1.50 0.13 0.00 0.82 0.00 0.00 66.70 66.62 3iss h VAL 240 Cb 0.67 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.70 3iss h VAL 240 CO -0.37 0.50 0.61 0.00 0.02 0.00 0.00 177.57 178.33 3iss h ALA 241 N 0.91 1.64 -0.04 1.67 0.00 -0.19 -1.45 119.26 121.80 3iss h ALA 241 Ca 0.07 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3iss h ALA 241 Cb 0.89 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3iss h ALA 241 CO 0.08 0.12 -0.14 0.00 0.00 0.00 0.00 179.25 179.31 3iss h ALA 242 N 1.56 0.07 0.00 0.00 0.00 -1.07 -3.07 119.26 116.75 3iss h ALA 242 Ca 0.47 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3iss h ALA 242 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iss h ALA 242 CO -0.24 -0.01 -0.03 0.00 0.00 0.00 0.00 179.25 178.97 3iss h ALA 243 N 0.41 1.46 0.00 0.00 0.00 -0.62 -1.16 119.26 119.35 3iss h ALA 243 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3iss h ALA 243 Cb 0.77 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3iss h ALA 243 CO 0.03 0.04 -1.58 0.44 0.00 0.00 0.00 179.25 178.18 3iss n ILE 244 N -3.78 0.25 0.47 0.00 -5.35 -0.62 -3.94 119.36 106.38 3iss n ILE 244 Ca -0.03 -0.51 0.11 0.00 -0.27 0.00 0.00 62.75 62.05 3iss n ILE 244 Cb 0.12 -0.12 0.26 0.00 -1.74 0.00 0.00 39.64 38.16 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 -2.41 2.97 -2.93 7.28 3.41 -0.82 -4.93 113.62 116.19 3iss n SER 245 Ca -0.02 -1.93 -0.17 0.00 -0.26 0.00 0.00 58.87 56.49 3iss n SER 245 Cb 0.56 -0.26 0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 1.16 -5.87 0.00 4.33 1.74 -0.94 -4.51 116.66 112.56 3iss n ARG 246 Ca 0.19 0.66 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 3iss n ARG 246 Cb 0.51 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.79 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 -1.46 7.44 3.31 -0.13 0.00 -0.50 -4.50 105.19 109.35 3iss n GLY 247 Ca -0.09 -2.02 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 3iss n GLY 247 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s LYS 248 N 1.15 0.55 -0.04 1.61 -2.85 -1.21 -2.39 119.74 116.56 3iss s LYS 248 Ca 0.00 0.43 -0.17 0.00 -1.00 0.00 0.00 55.97 55.22 3iss s LYS 248 Cb 0.00 0.26 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 3iss s LYS 248 CO 0.00 -0.09 0.38 -1.50 0.10 0.00 0.00 175.35 174.24 3iss s ILE 249 N -0.13 0.04 -0.09 3.79 2.07 -0.47 -1.48 121.20 124.92 3iss s ILE 249 Ca -0.03 -0.33 0.04 0.00 -1.41 0.00 0.00 60.65 58.92 3iss s ILE 249 Cb -0.03 -0.67 -0.00 0.00 0.13 0.00 0.00 42.46 41.89 3iss s ILE 249 CO 0.02 -0.18 -0.24 -0.63 -1.91 0.00 0.00 174.94 171.99 3iss s ILE 250 N -1.09 2.05 -0.23 2.00 -1.09 -0.77 -1.16 121.20 120.92 3iss s ILE 250 Ca -0.11 -1.02 -0.06 0.00 -2.23 0.00 0.00 60.65 57.22 3iss s ILE 250 Cb -0.04 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 39.05 3iss s ILE 250 CO 0.05 0.56 0.04 0.00 -1.23 0.00 0.00 174.94 174.36 3iss s ARG 252 N 1.31 3.44 -0.89 0.00 1.81 0.63 -1.84 118.95 123.41 3iss s ARG 252 Ca 0.04 -0.41 -0.02 0.00 -1.72 0.00 0.00 55.73 53.63 3iss s ARG 252 Cb -0.15 -3.05 0.00 0.00 -0.45 0.00 0.00 34.95 31.30 3iss s ARG 252 CO 0.02 0.62 0.75 0.09 -0.68 0.00 0.00 175.30 176.11 3iss n ASN 253 N 0.45 -2.77 -4.79 0.23 3.02 -0.63 -0.23 115.26 110.54 3iss n ASN 253 Ca -0.06 -0.43 -0.22 0.00 -0.03 0.00 0.00 54.58 53.83 3iss n ASN 253 Cb 0.51 -3.82 -0.05 0.00 -0.61 0.00 0.00 39.78 35.81 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iss s ALA 254 N -3.25 3.71 -0.43 5.41 0.00 -0.35 -4.43 121.76 122.41 3iss s ALA 254 Ca 0.10 -1.86 0.02 0.00 0.00 0.00 0.00 51.96 50.22 3iss s ALA 254 Cb -0.04 -0.82 0.14 0.00 0.00 0.00 0.00 23.12 22.39 3iss s ALA 254 CO 0.53 -0.06 0.25 -1.14 0.00 0.00 0.00 175.76 175.33 3iss s GLN 255 N -3.95 1.14 0.34 0.00 0.74 -1.26 -4.24 119.66 112.43 3iss s GLN 255 Ca 0.41 -1.90 0.07 0.00 0.05 0.00 0.00 55.36 53.99 3iss s GLN 255 Cb -0.02 -2.09 0.76 0.00 1.10 0.00 0.00 33.01 32.76 3iss s GLN 255 CO 0.25 -1.19 1.87 -1.35 -0.55 0.00 0.00 175.29 174.32 3iss h PRO 256 N 6.69 0.74 0.00 1.67 0.11 -1.87 -1.53 132.00 137.81 3iss h PRO 256 Ca 0.03 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3iss h PRO 256 Cb 0.93 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3iss h PRO 256 CO 0.43 0.49 0.00 -0.40 -0.21 0.00 0.00 178.00 178.31 3iss n ASP 257 N -4.56 0.00 0.01 -2.05 5.68 -1.26 -1.04 116.55 113.33 3iss n ASP 257 Ca 0.17 -0.01 0.11 0.00 -0.50 0.00 0.00 54.79 54.56 3iss n ASP 257 Cb 0.42 -0.12 0.12 0.00 -1.14 0.00 0.00 41.12 40.39 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 -1.12 0.06 -1.77 2.12 -1.04 -0.58 -4.41 114.28 107.53 3iss n THR 258 Ca 0.04 -0.07 0.06 0.00 -2.04 0.00 0.00 64.05 62.03 3iss n THR 258 Cb 0.03 0.38 0.12 0.00 -1.82 0.00 0.00 70.33 69.04 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 -1.63 1.86 0.00 -4.42 4.77 -0.20 -4.91 117.00 112.47 3iss n LEU 259 Ca 0.04 -2.89 -0.15 0.00 -0.03 0.00 0.00 56.01 52.98 3iss n LEU 259 Cb 0.36 -0.31 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 3iss n LEU 259 CO 0.38 0.89 0.51 0.44 -1.33 0.00 0.00 177.39 178.28 3iss h ASP 260 N 0.67 -1.62 -0.62 -1.43 3.32 -1.77 -0.71 116.42 114.25 3iss h ASP 260 Ca -0.06 0.19 0.09 0.00 0.02 0.00 0.00 57.03 57.27 3iss h ASP 260 Cb 1.28 0.63 -0.07 0.00 0.22 0.00 0.00 39.33 41.39 3iss h ASP 260 CO 0.03 -0.47 0.27 0.00 -1.72 0.00 0.00 179.24 177.35 3iss h ALA 261 N -0.39 0.82 -0.63 3.45 0.00 -1.90 -1.03 119.26 119.58 3iss h ALA 261 Ca 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3iss h ALA 261 Cb 0.65 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3iss h ALA 261 CO -0.40 -0.13 0.05 0.28 0.00 0.00 0.00 179.25 179.05 3iss h VAL 262 N 0.49 1.26 -0.49 0.00 2.07 -1.79 -2.06 116.25 115.73 3iss h VAL 262 Ca 0.31 -1.10 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 3iss h VAL 262 Cb 0.33 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3iss h VAL 262 CO -0.27 0.41 -0.19 -0.07 0.02 0.00 0.00 177.57 177.47 3iss h LEU 263 N 0.99 1.02 -0.96 2.57 3.38 -0.62 -1.61 115.31 120.09 3iss h LEU 263 Ca 0.19 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3iss h LEU 263 Cb 0.50 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.93 3iss h LEU 263 CO 0.02 1.18 0.48 0.00 0.09 0.00 0.00 178.44 180.21 3iss h ALA 264 N 0.88 1.20 -0.13 1.53 0.00 -1.02 -1.28 119.26 120.44 3iss h ALA 264 Ca 0.12 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3iss h ALA 264 Cb 0.77 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iss h ALA 264 CO 0.06 0.65 -0.59 -0.22 0.00 0.00 0.00 179.25 179.15 3iss h LYS 265 N 1.22 0.43 -0.59 0.00 1.63 -1.14 -2.11 116.57 116.02 3iss h LYS 265 Ca 0.31 -0.29 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 3iss h LYS 265 Cb 0.02 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.67 3iss h LYS 265 CO -0.05 0.90 0.01 -0.07 -3.45 0.00 0.00 179.45 176.79 3iss h LEU 266 N 0.33 0.99 -0.20 5.20 3.38 -0.64 -1.89 115.31 122.49 3iss h LEU 266 Ca -0.00 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.72 3iss h LEU 266 Cb 1.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3iss h LEU 266 CO 0.10 1.04 0.02 -0.09 0.09 0.00 0.00 178.44 179.60 3iss h ARG 267 N 0.94 0.09 -0.12 1.13 2.43 -0.97 -0.66 114.38 117.21 3iss h ARG 267 Ca 0.17 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 3iss h ARG 267 Cb 0.53 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3iss h ARG 267 CO 0.03 0.06 0.18 -0.44 -1.51 0.00 0.00 179.97 178.28 3iss h ASP 268 N 0.09 0.00 0.33 -3.80 3.32 -0.96 0.90 116.42 116.29 3iss h ASP 268 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 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 -0.18 0.00 -1.72 0.00 0.00 179.24 177.20 3iss n ALA 269 N -2.24 2.90 0.00 3.45 0.00 -0.35 -4.72 120.51 119.54 3iss n ALA 269 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3iss n ALA 269 Cb 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 1.31 1.23 3.87 0.00 0.00 0.31 0.13 105.19 112.05 3iss n GLY 270 Ca 0.13 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 3.52 -0.44 4.61 0.00 -0.62 -4.89 121.76 121.94 3iss s ALA 271 Ca 0.00 -0.25 -0.15 0.00 0.00 0.00 0.00 51.96 51.56 3iss s ALA 271 Cb 0.00 -2.49 0.05 0.00 0.00 0.00 0.00 23.12 20.68 3iss s ALA 271 CO 0.00 0.42 0.34 0.34 0.00 0.00 0.00 175.76 176.86 3iss s ASP 272 N -2.49 6.10 -0.07 0.00 2.15 -0.18 -4.40 116.67 117.78 3iss s ASP 272 Ca 0.48 -1.12 0.05 0.00 0.43 0.00 0.00 52.55 52.39 3iss s ASP 272 Cb -0.11 -2.16 -0.01 0.00 -0.30 0.00 0.00 42.92 40.34 3iss s ASP 272 CO 0.22 -0.54 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.82 3iss s ILE 273 N 1.65 1.93 0.07 4.11 1.01 -1.26 -0.45 121.20 128.26 3iss s ILE 273 Ca 0.04 -0.98 0.06 0.00 0.00 0.00 0.00 60.65 59.77 3iss s ILE 273 Cb -0.22 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.58 3iss s ILE 273 CO 0.08 0.54 -0.16 -1.61 0.00 0.00 0.00 174.94 173.78 3iss s GLU 274 N 0.05 0.95 -0.01 2.79 2.02 -0.64 -4.99 118.70 118.87 3iss s GLU 274 Ca -0.09 -0.96 0.05 0.00 0.02 0.00 0.00 54.97 54.00 3iss s GLU 274 Cb -0.15 -1.03 -0.01 0.00 0.10 0.00 0.00 34.13 33.04 3iss s GLU 274 CO 0.05 0.24 -0.18 0.14 0.02 0.00 0.00 175.26 175.53 3iss s VAL 275 N -1.12 1.39 0.00 2.63 -7.23 -1.26 -0.19 120.40 114.63 3iss s VAL 275 Ca 0.01 -0.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.42 3iss s VAL 275 Cb -0.09 -1.16 0.00 0.00 0.56 0.00 0.00 36.38 35.69 3iss s VAL 275 CO 0.02 0.39 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 3iss n GLY 276 N 2.63 2.10 0.14 2.32 0.00 -0.15 -4.99 105.19 107.23 3iss n GLY 276 Ca -0.15 -1.98 0.10 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.39 114.58 115.61 3iss h GLU 277 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 3iss h GLU 277 Cb 0.00 0.00 -0.23 0.00 0.63 0.00 0.00 28.75 29.15 3iss h GLU 277 CO 0.00 0.05 -0.64 -0.40 -0.73 0.00 0.00 179.01 177.29 3iss n ASP 278 N -2.81 0.13 -3.91 1.04 5.75 -1.26 -4.70 116.55 110.78 3iss n ASP 278 Ca -0.00 -1.92 -0.09 0.00 -0.01 0.00 0.00 54.79 52.77 3iss n ASP 278 Cb 0.58 -0.06 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 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 0.19 -0.02 2.11 1.48 -1.26 -1.22 118.94 120.22 3iss s TRP 279 Ca 0.16 -0.50 0.03 0.00 -1.06 0.00 0.00 56.10 54.72 3iss s TRP 279 Cb 0.18 -0.13 -0.00 0.00 -1.16 0.00 0.00 33.47 32.36 3iss s TRP 279 CO -0.08 -0.40 -0.09 0.42 -4.06 0.00 0.00 176.95 172.74 3iss s ILE 280 N -2.81 0.78 0.08 0.66 1.01 -0.77 -0.98 121.20 119.17 3iss s ILE 280 Ca -0.03 -0.39 0.10 0.00 0.00 0.00 0.00 60.65 60.33 3iss s ILE 280 Cb 0.00 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3iss s ILE 280 CO -0.05 0.23 -0.26 -0.94 0.00 0.00 0.00 174.94 173.92 3iss s SER 281 N -0.01 3.17 -0.02 3.58 1.04 0.74 -0.15 113.70 122.05 3iss s SER 281 Ca 0.00 -0.65 -0.00 0.00 0.48 0.00 0.00 55.95 55.78 3iss s SER 281 Cb -0.06 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.83 3iss s SER 281 CO 0.00 0.22 0.04 -0.22 0.98 0.00 0.00 173.24 174.26 3iss s LEU 282 N -1.55 1.11 -0.06 2.42 0.20 -0.31 -1.61 118.68 118.89 3iss s LEU 282 Ca 0.12 0.07 0.02 0.00 0.69 0.00 0.00 54.13 55.03 3iss s LEU 282 Cb -0.10 -0.01 0.02 0.00 -0.43 0.00 0.00 46.19 45.67 3iss s LEU 282 CO 0.04 -0.12 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.25 3iss s ASP 283 N 0.98 1.55 0.04 3.68 -1.08 0.41 -1.37 116.67 120.89 3iss s ASP 283 Ca -0.08 -0.25 0.23 0.00 -0.52 0.00 0.00 52.55 51.93 3iss s ASP 283 Cb -0.12 -0.72 0.14 0.00 -1.46 0.00 0.00 42.92 40.76 3iss s ASP 283 CO -0.03 0.01 1.12 0.23 0.52 0.00 0.00 175.17 177.02 3iss n MET 284 N 3.85 0.21 -3.89 4.34 2.81 -1.01 -1.02 117.12 122.43 3iss n MET 284 Ca -0.24 0.01 -0.26 0.00 -1.81 0.00 0.00 57.70 55.40 3iss n MET 284 Cb 0.51 -1.58 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.86 -1.87 -0.65 2.03 8.25 -1.26 -1.22 115.22 118.65 3iss n HIS 285 Ca 0.03 0.81 0.00 0.00 -0.26 0.00 0.00 57.72 58.30 3iss n HIS 285 Cb 0.41 -3.93 0.00 0.00 1.12 0.00 0.00 29.99 27.59 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 -1.73 0.57 3.81 -1.41 0.00 -1.26 -4.98 105.19 100.19 3iss n GLY 286 Ca -0.21 0.00 -0.33 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 -0.47 4.21 0.16 1.61 -0.14 -0.36 -4.95 119.74 119.80 3iss s LYS 287 Ca 0.00 1.17 -0.25 0.00 -1.36 0.00 0.00 55.97 55.53 3iss s LYS 287 Cb 0.00 -2.23 -0.08 0.00 -1.68 0.00 0.00 37.83 33.84 3iss s LYS 287 CO 0.00 -0.05 0.77 0.50 -0.76 0.00 0.00 175.35 175.81 3iss s ARG 288 N -3.08 4.56 0.65 1.68 3.52 -1.26 -4.52 118.95 120.49 3iss s ARG 288 Ca 0.62 1.15 -0.16 0.00 -0.13 0.00 0.00 55.73 57.20 3iss s ARG 288 Cb -0.11 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 3iss s ARG 288 CO 0.15 0.57 1.16 -1.25 -0.81 0.00 0.00 175.30 175.12 3iss s PRO 289 N -1.13 2.74 -0.02 5.12 0.04 -1.26 -4.82 135.00 135.66 3iss s PRO 289 Ca 0.36 1.62 -0.10 0.00 0.04 0.00 0.00 61.00 62.92 3iss s PRO 289 Cb -0.23 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 3iss s PRO 289 CO 0.26 -1.34 0.30 0.15 0.04 0.00 0.00 177.00 176.41 3iss s LYS 290 N -3.75 3.68 0.47 4.56 -0.14 0.12 -1.10 119.74 123.58 3iss s LYS 290 Ca 0.72 0.10 -0.23 0.00 -1.36 0.00 0.00 55.97 55.20 3iss s LYS 290 Cb -0.26 -3.14 -0.09 0.00 -1.68 0.00 0.00 37.83 32.67 3iss s LYS 290 CO 0.38 0.68 1.04 0.00 -0.76 0.00 0.00 175.35 176.69 3iss n ALA 291 N 1.53 0.36 -2.27 5.17 0.00 -0.67 -4.36 120.51 120.28 3iss n ALA 291 Ca -0.14 0.18 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 3iss n ALA 291 Cb 0.53 -2.12 -0.10 0.00 0.00 0.00 0.00 19.45 17.76 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 -1.33 0.80 -0.12 0.00 -7.23 -1.26 -4.84 120.40 106.42 3iss s VAL 292 Ca 0.66 -2.00 -0.00 0.00 -1.81 0.00 0.00 61.98 58.83 3iss s VAL 292 Cb -0.51 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.23 3iss s VAL 292 CO 0.55 -0.43 -0.12 0.20 -0.31 0.00 0.00 175.10 174.98 3iss s ASN 293 N -3.21 4.16 0.01 4.85 0.02 -1.26 -3.43 114.94 116.08 3iss s ASN 293 Ca 0.25 -0.26 0.04 0.00 -1.02 0.00 0.00 52.86 51.87 3iss s ASN 293 Cb 0.06 -1.50 -0.01 0.00 0.02 0.00 0.00 41.25 39.82 3iss s ASN 293 CO 0.05 0.20 -0.12 -0.69 0.02 0.00 0.00 177.10 176.57 3iss s VAL 294 N 0.12 0.91 -0.19 1.60 1.01 -0.33 -4.99 120.40 118.53 3iss s VAL 294 Ca -0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 3iss s VAL 294 Cb -0.15 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.49 3iss s VAL 294 CO 0.04 0.11 -0.05 -0.60 0.00 0.00 0.00 175.10 174.60 3iss s ARG 295 N -0.65 1.48 0.50 2.72 3.52 -1.26 -0.11 118.95 125.15 3iss s ARG 295 Ca 0.02 -0.67 -0.21 0.00 -0.13 0.00 0.00 55.73 54.75 3iss s ARG 295 Cb -0.06 -2.21 -0.07 0.00 -1.56 0.00 0.00 34.95 31.05 3iss s ARG 295 CO 0.00 -0.49 1.12 0.95 -0.81 0.00 0.00 175.30 176.07 3iss s THR 296 N 1.57 3.26 0.08 4.11 -4.23 -0.11 -4.36 115.64 115.96 3iss s THR 296 Ca -0.01 0.84 -0.27 0.00 -1.18 0.00 0.00 61.69 61.07 3iss s THR 296 Cb -0.16 -3.38 0.09 0.00 1.34 0.00 0.00 72.50 70.39 3iss s THR 296 CO -0.07 -0.11 1.12 0.00 -0.54 0.00 0.00 174.62 175.01 3iss s ALA 297 N -1.72 -1.92 0.74 3.99 0.00 -0.50 -3.53 121.76 118.83 3iss s ALA 297 Ca 0.68 0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.76 3iss s ALA 297 Cb -0.24 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.49 3iss s ALA 297 CO 0.29 -1.06 1.21 -2.14 0.00 0.00 0.00 175.76 174.05 3iss s PRO 298 N -2.71 2.05 0.36 0.00 0.02 -1.26 -4.35 135.00 129.10 3iss s PRO 298 Ca 0.16 1.76 -0.26 0.00 0.02 0.00 0.00 61.00 62.68 3iss s PRO 298 Cb 0.01 -1.82 -0.12 0.00 0.02 0.00 0.00 34.50 32.58 3iss s PRO 298 CO 0.00 -1.90 0.95 1.58 -0.33 0.00 0.00 177.00 177.30 3iss n HIS 299 N -2.82 1.00 -0.45 6.54 -0.00 -1.26 -1.93 115.22 116.29 3iss n HIS 299 Ca 0.13 0.63 0.02 0.00 0.46 0.00 0.00 57.72 58.96 3iss n HIS 299 Cb 0.50 -2.21 0.28 0.00 -0.12 0.00 0.00 29.99 28.44 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 0.46 3.62 -1.21 1.57 -0.04 -1.26 -4.52 135.00 133.62 3iss n PRO 300 Ca 0.10 -2.34 -0.30 0.00 -0.04 0.00 0.00 63.50 60.92 3iss n PRO 300 Cb 0.36 -2.05 0.22 0.00 -0.04 0.00 0.00 33.50 31.99 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 -2.34 0.88 0.21 0.55 0.00 -0.81 -4.37 121.76 115.89 3iss s ALA 301 Ca 0.41 -0.87 -0.31 0.00 0.00 0.00 0.00 51.96 51.18 3iss s ALA 301 Cb 0.32 -2.91 -0.11 0.00 0.00 0.00 0.00 23.12 20.41 3iss s ALA 301 CO 0.11 -3.30 1.64 0.12 0.00 0.00 0.00 175.76 174.33 3iss s PHE 302 N -3.11 2.93 0.09 0.00 2.19 -1.26 -4.79 117.98 114.02 3iss s PHE 302 Ca 0.70 0.55 -0.25 0.00 0.33 0.00 0.00 56.93 58.26 3iss s PHE 302 Cb -0.11 -4.04 -0.06 0.00 -1.31 0.00 0.00 43.02 37.50 3iss s PHE 302 CO 0.56 -3.82 0.77 -1.25 1.83 0.00 0.00 175.22 173.31 3iss s PRO 303 N 0.75 4.52 0.46 10.12 0.05 -1.26 -1.40 135.00 148.23 3iss s PRO 303 Ca 0.70 1.10 0.17 0.00 0.05 0.00 0.00 61.00 63.02 3iss s PRO 303 Cb -0.47 -3.33 1.14 0.00 0.05 0.00 0.00 34.50 31.89 3iss s PRO 303 CO 0.35 0.38 1.97 0.00 0.05 0.00 0.00 177.00 179.76 3iss h THR 304 N 3.85 0.83 0.00 1.26 1.03 -1.93 -0.72 112.91 117.23 3iss h THR 304 Ca -0.45 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 3iss h THR 304 Cb 1.21 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.79 3iss h THR 304 CO 0.69 0.05 0.00 0.47 -0.01 0.00 0.00 175.52 176.72 3iss n ASP 305 N -4.45 0.00 -0.50 0.00 8.00 -1.26 -1.51 116.55 116.83 3iss n ASP 305 Ca 0.11 0.43 0.06 0.00 0.71 0.00 0.00 54.79 56.09 3iss n ASP 305 Cb 0.47 -0.45 0.07 0.00 -0.02 0.00 0.00 41.12 41.20 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 -1.45 1.11 -0.12 -1.24 2.81 -0.28 -4.74 117.12 113.21 3iss n MET 306 Ca 0.02 -1.38 -0.10 0.00 -1.81 0.00 0.00 57.70 54.43 3iss n MET 306 Cb 0.08 -1.23 -0.02 0.00 -0.71 0.00 0.00 33.22 31.34 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 2.16 0.58 -0.66 0.03 -0.00 -1.26 -2.38 115.11 113.58 3iss h GLN 307 Ca 0.00 -0.17 -0.05 0.00 -0.00 0.00 0.00 58.65 58.43 3iss h GLN 307 Cb 0.53 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.92 3iss h GLN 307 CO 0.00 0.67 0.21 0.00 0.00 0.00 0.00 178.83 179.71 3iss h ALA 308 N 0.89 0.86 -0.36 3.38 0.00 -1.85 -1.02 119.26 121.15 3iss h ALA 308 Ca 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3iss h ALA 308 Cb 0.38 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3iss h ALA 308 CO 0.01 0.54 0.20 1.96 0.00 0.00 0.00 179.25 181.97 3iss h GLN 309 N 0.96 0.41 0.00 0.00 7.50 -1.81 -1.81 115.11 120.35 3iss h GLN 309 Ca 0.21 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.30 3iss h GLN 309 Cb 0.30 -0.09 -0.01 0.00 0.05 0.00 0.00 27.48 27.73 3iss h GLN 309 CO -0.01 0.27 -0.17 0.74 -1.50 0.00 0.00 178.83 178.16 3iss h PHE 310 N 0.42 0.00 -0.61 2.96 -1.00 -1.23 -1.69 116.94 115.78 3iss h PHE 310 Ca 0.15 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.89 3iss h PHE 310 Cb 0.02 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.55 3iss h PHE 310 CO -0.08 0.17 0.23 1.15 -1.61 0.00 0.00 178.31 178.17 3iss h THR 311 N 0.00 1.24 -0.24 -1.55 2.02 -0.39 -1.30 112.91 112.68 3iss h THR 311 Ca -0.00 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 3iss h THR 311 Cb 0.68 0.58 -0.01 0.00 -1.74 0.00 0.00 68.15 67.67 3iss h THR 311 CO 0.02 0.29 0.00 0.25 0.37 0.00 0.00 175.52 176.46 3iss h LEU 312 N 0.86 0.41 -0.30 2.58 5.85 -0.71 -0.85 115.31 123.15 3iss h LEU 312 Ca 0.20 -0.30 0.06 0.00 0.84 0.00 0.00 57.88 58.68 3iss h LEU 312 Cb 0.23 -0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3iss h LEU 312 CO -0.01 0.61 -0.39 0.25 -0.34 0.00 0.00 178.44 178.56 3iss h LEU 313 N 0.19 -1.27 -1.58 2.25 6.46 -1.20 -0.73 115.31 119.44 3iss h LEU 313 Ca 0.07 0.19 0.09 0.00 -0.12 0.00 0.00 57.88 58.11 3iss h LEU 313 Cb 0.40 0.55 -0.04 0.00 -0.73 0.00 0.00 40.66 40.84 3iss h LEU 313 CO 0.01 -0.37 0.42 0.78 -0.62 0.00 0.00 178.44 178.66 3iss h ASN 314 N -0.36 0.43 0.98 1.25 2.35 -0.93 -1.86 115.58 117.45 3iss h ASN 314 Ca 0.13 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 3iss h ASN 314 Cb 0.58 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3iss h ASN 314 CO -0.49 0.27 0.00 -0.07 -1.65 0.00 0.00 177.43 175.48 3iss h LEU 315 N 0.48 0.00 -3.01 1.61 3.38 0.33 -2.59 115.31 115.51 3iss h LEU 315 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3iss h LEU 315 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3iss h LEU 315 CO -0.08 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.78 3iss n VAL 316 N -2.57 1.42 -2.62 1.22 0.24 -0.85 0.30 118.33 115.47 3iss n VAL 316 Ca 0.02 -1.53 -0.23 0.00 -2.04 0.00 0.00 64.34 60.56 3iss n VAL 316 Cb 0.29 0.17 0.10 0.00 -1.47 0.00 0.00 33.84 32.93 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 -1.83 3.80 -0.36 2.33 0.00 -0.76 -4.56 121.76 120.38 3iss s ALA 317 Ca 0.17 -1.71 -0.22 0.00 0.00 0.00 0.00 51.96 50.20 3iss s ALA 317 Cb 0.14 -1.98 0.01 0.00 0.00 0.00 0.00 23.12 21.29 3iss s ALA 317 CO 0.03 -1.34 0.70 -2.00 0.00 0.00 0.00 175.76 173.15 3iss s GLU 318 N -5.07 3.70 0.00 0.00 2.12 -0.26 -3.91 118.70 115.28 3iss s GLU 318 Ca 0.65 0.15 0.00 0.00 0.36 0.00 0.00 54.97 56.13 3iss s GLU 318 Cb -0.06 -3.81 0.00 0.00 0.26 0.00 0.00 34.13 30.52 3iss s GLU 318 CO 0.43 -0.79 0.00 0.41 -0.54 0.00 0.00 175.26 174.78 3iss n GLY 319 N 4.61 -1.30 3.44 -1.50 0.00 -1.26 -1.66 105.19 107.51 3iss n GLY 319 Ca 0.01 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 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 3.25 0.02 2.61 2.01 -1.26 -1.75 115.64 120.53 3iss s THR 320 Ca 0.00 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.39 3iss s THR 320 Cb 0.00 -2.35 -0.02 0.00 0.01 0.00 0.00 72.50 70.14 3iss s THR 320 CO 0.00 0.54 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.61 3iss s GLY 321 N -0.01 0.23 0.16 4.40 0.00 -0.85 -4.72 107.32 106.53 3iss s GLY 321 Ca -0.03 -0.50 0.10 0.00 0.00 0.00 0.00 44.72 44.29 3iss s GLY 321 CO 0.04 -0.56 -0.16 -0.11 0.00 0.00 0.00 173.10 172.31 3iss s PHE 322 N -1.18 2.52 -0.14 1.90 -0.71 -1.22 -0.84 117.98 118.30 3iss s PHE 322 Ca -0.12 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 3iss s PHE 322 Cb -0.08 -1.27 0.03 0.00 -1.21 0.00 0.00 43.02 40.48 3iss s PHE 322 CO -0.01 0.47 -0.11 0.42 -1.34 0.00 0.00 175.22 174.65 3iss s ILE 323 N -1.51 1.35 -0.15 -4.49 1.01 -0.51 -1.19 121.20 115.72 3iss s ILE 323 Ca 0.21 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 3iss s ILE 323 Cb -0.09 -1.32 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 3iss s ILE 323 CO 0.12 0.39 0.00 -0.89 0.00 0.00 0.00 174.94 174.56 3iss s THR 324 N 1.57 4.26 -0.26 2.92 2.01 0.84 -1.02 115.64 125.97 3iss s THR 324 Ca 0.04 -0.23 -0.06 0.00 0.31 0.00 0.00 61.69 61.75 3iss s THR 324 Cb -0.13 -2.87 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 3iss s THR 324 CO -0.09 0.50 0.04 -0.70 -0.69 0.00 0.00 174.62 173.68 3iss s GLU 325 N 0.12 3.34 0.00 4.92 2.56 -0.49 -0.93 118.70 128.22 3iss s GLU 325 Ca 0.01 -0.68 0.11 0.00 0.00 0.00 0.00 54.97 54.42 3iss s GLU 325 Cb -0.13 -3.24 0.06 0.00 2.00 0.00 0.00 34.13 32.82 3iss s GLU 325 CO 0.02 -0.29 0.80 0.25 -0.56 0.00 0.00 175.26 175.48 3iss n THR 326 N 4.86 0.00 -0.12 -1.70 -2.24 -1.23 -4.53 114.28 109.32 3iss n THR 326 Ca -0.16 -0.47 -0.22 0.00 -2.27 0.00 0.00 64.05 60.93 3iss n THR 326 Cb 0.50 1.20 -0.07 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.37 1.46 -3.95 2.28 0.31 -1.26 -4.83 118.33 112.71 3iss n VAL 327 Ca 0.06 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.89 3iss n VAL 327 Cb 0.27 -2.00 -0.14 0.00 -0.91 0.00 0.00 33.84 31.05 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 -2.60 3.27 -0.99 3.52 0.08 -1.26 -5.00 117.98 114.99 3iss s PHE 328 Ca -0.34 -2.97 0.15 0.00 0.12 0.00 0.00 56.93 53.90 3iss s PHE 328 Cb 0.11 -2.74 0.64 0.00 -0.57 0.00 0.00 43.02 40.46 3iss s PHE 328 CO 0.44 -0.84 1.48 0.39 -0.10 0.00 0.00 175.22 176.59 3iss n GLU 329 N 3.73 0.00 -0.61 0.44 1.02 -1.26 -2.06 120.64 121.91 3iss n GLU 329 Ca 0.04 0.25 0.02 0.00 -0.02 0.00 0.00 57.16 57.45 3iss n GLU 329 Cb 0.37 -1.51 0.21 0.00 -0.02 0.00 0.00 31.44 30.49 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 -1.52 2.75 -3.87 1.62 3.02 -1.22 -4.68 115.26 111.36 3iss n ASN 330 Ca 0.04 -3.51 -0.42 0.00 -0.03 0.00 0.00 54.58 50.65 3iss n ASN 330 Cb 0.18 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 38.77 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3iss n ARG 331 N -1.00 3.78 -0.18 3.52 0.63 -0.87 -4.55 116.66 117.99 3iss n ARG 331 Ca 0.27 -3.68 0.01 0.00 -0.92 0.00 0.00 57.85 53.52 3iss n ARG 331 Cb 0.92 -2.85 0.01 0.00 0.45 0.00 0.00 32.46 30.98 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 3.41 0.00 0.27 -0.14 3.72 -1.26 -4.85 117.46 118.61 3iss n PHE 332 Ca 0.38 -0.09 0.15 0.00 -0.05 0.00 0.00 57.45 57.85 3iss n PHE 332 Cb 0.35 -0.03 0.88 0.00 -0.94 0.00 0.00 39.48 39.75 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 -0.20 -1.08 2.86 -1.97 -0.98 114.93 113.56 3iss h MET 333 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3iss h MET 333 Cb 1.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 3iss h MET 333 CO 0.00 0.00 0.06 1.12 1.06 0.00 0.00 176.91 179.15 3iss h HIS 334 N 0.00 0.26 0.53 -0.22 -0.00 -1.94 -3.27 115.15 110.52 3iss h HIS 334 Ca 0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.37 3iss h HIS 334 Cb 0.12 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.43 3iss h HIS 334 CO 0.00 0.23 -0.41 0.28 -0.00 0.00 0.00 177.93 178.03 3iss h VAL 335 N 0.27 0.17 -0.91 6.12 2.07 -1.56 0.64 116.25 123.05 3iss h VAL 335 Ca 0.07 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.69 3iss h VAL 335 Cb 0.09 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 29.96 3iss h VAL 335 CO -0.01 0.00 0.58 -0.65 0.02 0.00 0.00 177.57 177.52 3iss h PRO 336 N -0.93 0.85 -0.20 1.57 0.11 -1.72 -0.45 132.00 131.24 3iss h PRO 336 Ca -0.06 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3iss h PRO 336 Cb 0.78 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 3iss h PRO 336 CO 0.01 0.56 0.09 0.93 -0.21 0.00 0.00 178.00 179.38 3iss h GLU 337 N 0.88 0.28 -0.02 1.05 4.39 -1.50 -2.00 114.58 117.66 3iss h GLU 337 Ca 0.43 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 60.08 3iss h GLU 337 Cb 0.45 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3iss h GLU 337 CO -0.19 0.31 0.00 -0.07 -1.16 0.00 0.00 179.01 177.90 3iss h LEU 338 N 0.19 0.02 -1.69 1.33 3.38 -0.19 -0.29 115.31 118.06 3iss h LEU 338 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 3iss h LEU 338 Cb 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3iss h LEU 338 CO -0.01 0.03 -0.16 0.28 0.09 0.00 0.00 178.44 178.67 3iss h SER 339 N 0.03 0.00 0.60 -0.43 0.02 -0.37 -1.10 113.55 112.29 3iss h SER 339 Ca 0.01 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 3iss h SER 339 Cb 0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.56 3iss h SER 339 CO 0.00 0.16 -0.14 0.03 -1.14 0.00 0.00 176.83 175.74 3iss h ARG 340 N 0.00 0.00 -0.60 3.45 3.08 -0.64 -1.60 114.38 118.07 3iss h ARG 340 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iss h ARG 340 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3iss h ARG 340 CO 0.02 0.14 0.00 -1.33 -1.07 0.00 0.00 179.97 177.73 3iss n MET 341 N -3.47 2.39 -0.37 0.04 2.81 -0.48 -4.83 117.12 113.21 3iss n MET 341 Ca -0.01 -2.15 0.00 0.00 -1.81 0.00 0.00 57.70 53.73 3iss n MET 341 Cb 0.30 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 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 1.45 0.80 3.77 3.03 0.00 -0.60 -0.62 105.19 113.02 3iss n GLY 342 Ca 0.20 0.00 -0.33 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 -2.10 2.46 -0.34 4.61 0.00 -0.81 -4.98 121.76 120.60 3iss s ALA 343 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 3iss s ALA 343 Cb 0.00 -3.33 0.08 0.00 0.00 0.00 0.00 23.12 19.88 3iss s ALA 343 CO 0.00 -1.29 0.07 -1.01 0.00 0.00 0.00 175.76 173.53 3iss s HIS 344 N -2.30 3.48 0.02 0.00 0.09 -1.26 -4.50 115.29 110.82 3iss s HIS 344 Ca 0.68 -2.34 -0.06 0.00 -0.00 0.00 0.00 55.06 53.34 3iss s HIS 344 Cb -0.21 -2.65 -0.01 0.00 -0.00 0.00 0.00 32.58 29.71 3iss s HIS 344 CO 0.41 -0.90 0.11 0.00 -0.00 0.00 0.00 174.74 174.36 3iss s ALA 345 N 1.13 -0.19 0.07 -1.40 0.00 -1.26 -1.57 121.76 118.54 3iss s ALA 345 Ca 0.03 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.71 3iss s ALA 345 Cb -0.21 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 3iss s ALA 345 CO -0.04 -0.25 -0.18 -1.83 0.00 0.00 0.00 175.76 173.46 3iss s GLU 346 N -1.89 1.08 -0.29 0.00 1.03 -0.56 -4.97 118.70 113.08 3iss s GLU 346 Ca -0.11 -0.99 -0.08 0.00 0.03 0.00 0.00 54.97 53.83 3iss s GLU 346 Cb -0.05 -1.20 -0.00 0.00 -0.80 0.00 0.00 34.13 32.07 3iss s GLU 346 CO -0.01 0.29 0.10 0.42 -1.33 0.00 0.00 175.26 174.72 3iss s ILE 347 N -1.04 4.21 -0.33 1.83 1.01 -1.26 0.20 121.20 125.82 3iss s ILE 347 Ca 0.04 -0.51 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3iss s ILE 347 Cb -0.09 -3.12 0.04 0.00 0.01 0.00 0.00 42.46 39.30 3iss s ILE 347 CO 0.03 0.13 0.07 -1.61 0.00 0.00 0.00 174.94 173.55 3iss s GLU 348 N 1.56 2.55 5.20 2.79 0.41 0.14 -4.98 118.70 126.37 3iss s GLU 348 Ca 0.04 -1.21 0.00 0.00 -0.41 0.00 0.00 54.97 53.38 3iss s GLU 348 Cb -0.17 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.82 3iss s GLU 348 CO 0.04 -0.65 0.00 0.45 -0.49 0.00 0.00 175.26 174.60 3iss n SER 349 N 4.74 0.00 -1.66 -0.19 2.88 -1.26 -1.30 113.62 116.83 3iss n SER 349 Ca -0.13 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.27 3iss n SER 349 Cb 0.44 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.08 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 8.40 3.31 -3.98 -3.46 0.23 -1.26 -4.93 115.26 113.58 3iss n ASN 350 Ca 0.00 -3.73 -0.22 0.00 -0.53 0.00 0.00 54.58 50.10 3iss n ASN 350 Cb 0.00 -0.72 -0.16 0.00 -2.08 0.00 0.00 39.78 36.81 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 -3.41 0.87 -0.20 5.53 2.01 -0.42 -1.39 115.64 118.63 3iss s THR 351 Ca 0.51 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 62.08 3iss s THR 351 Cb 0.44 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 72.09 3iss s THR 351 CO 0.04 0.29 0.11 0.54 -0.69 0.00 0.00 174.62 174.91 3iss s VAL 352 N 0.65 5.17 -0.29 3.82 0.11 -0.19 -0.68 120.40 128.99 3iss s VAL 352 Ca -0.11 0.11 -0.10 0.00 -2.93 0.00 0.00 61.98 58.94 3iss s VAL 352 Cb -0.14 -3.36 -0.03 0.00 -1.53 0.00 0.00 36.38 31.33 3iss s VAL 352 CO 0.02 0.44 0.15 -0.63 -3.33 0.00 0.00 175.10 171.75 3iss s ILE 353 N 0.42 4.79 -0.08 7.04 1.01 0.13 -1.42 121.20 133.09 3iss s ILE 353 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 60.65 60.54 3iss s ILE 353 Cb -0.12 -3.34 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3iss s ILE 353 CO -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 174.94 175.10 3iss s HIS 355 N -0.82 3.65 0.61 0.00 3.76 -0.61 -2.01 115.29 119.88 3iss s HIS 355 Ca 0.12 -2.99 -0.18 0.00 -0.15 0.00 0.00 55.06 51.87 3iss s HIS 355 Cb -0.11 -2.94 -0.08 0.00 1.11 0.00 0.00 32.58 30.56 3iss s HIS 355 CO 0.02 -0.92 0.45 0.41 -0.85 0.00 0.00 174.74 173.86 3iss n GLY 356 N 4.07 -1.69 3.45 -2.22 0.00 -0.71 -4.33 105.19 103.76 3iss n GLY 356 Ca 0.04 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 3iss n GLY 356 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 357 N -1.79 1.75 -0.04 1.61 1.01 0.15 -4.78 120.40 118.32 3iss s VAL 357 Ca 0.67 -2.14 -0.25 0.00 0.00 0.00 0.00 61.98 60.26 3iss s VAL 357 Cb -0.42 -2.49 -0.19 0.00 0.00 0.00 0.00 36.38 33.28 3iss s VAL 357 CO 0.57 -0.28 1.13 -0.08 0.00 0.00 0.00 175.10 176.43 3iss h GLU 358 N 2.23 -0.08 -3.06 2.72 4.22 -1.87 -3.38 114.58 115.36 3iss h GLU 358 Ca -0.40 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 58.91 3iss h GLU 358 Cb 1.24 0.02 -0.22 0.00 0.50 0.00 0.00 28.75 30.29 3iss h GLU 358 CO 0.68 0.43 -0.32 -1.59 -2.18 0.00 0.00 179.01 176.02 3iss s LYS 359 N -3.91 0.55 0.47 1.92 -2.85 -1.26 -5.00 119.74 109.66 3iss s LYS 359 Ca -0.15 -0.01 0.01 0.00 -1.00 0.00 0.00 55.97 54.82 3iss s LYS 359 Cb 0.01 0.25 0.00 0.00 -2.06 0.00 0.00 37.83 36.03 3iss s LYS 359 CO 0.62 -0.13 0.68 -0.51 0.10 0.00 0.00 175.35 176.11 3iss s LEU 360 N -0.85 3.58 -0.05 2.77 1.43 -1.26 -4.96 118.68 119.34 3iss s LEU 360 Ca -0.09 0.20 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 3iss s LEU 360 Cb -0.04 -3.08 -0.01 0.00 0.03 0.00 0.00 46.19 43.08 3iss s LEU 360 CO 0.03 -0.78 -0.25 -0.44 0.23 0.00 0.00 176.35 175.14 3iss s SER 361 N -4.26 3.11 0.51 2.29 0.01 0.21 0.22 113.70 115.79 3iss s SER 361 Ca 0.50 -0.50 -0.22 0.00 1.31 0.00 0.00 55.95 57.04 3iss s SER 361 Cb -0.10 -0.80 -0.07 0.00 0.21 0.00 0.00 66.02 65.27 3iss s SER 361 CO 0.38 0.26 1.23 0.61 0.41 0.00 0.00 173.24 176.12 3iss n GLY 362 N 2.88 0.41 3.80 3.44 0.00 -0.76 -4.38 105.19 110.57 3iss n GLY 362 Ca -0.17 0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.31 -1.48 -0.17 4.61 0.00 -1.10 -4.80 121.76 117.50 3iss s ALA 363 Ca 0.69 -0.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.32 3iss s ALA 363 Cb -0.45 0.71 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 3iss s ALA 363 CO 0.52 -1.04 0.90 -0.65 0.00 0.00 0.00 175.76 175.48 3iss s GLN 364 N -3.40 4.31 0.17 0.00 -0.21 -1.26 -2.34 119.66 116.93 3iss s GLN 364 Ca 0.12 1.13 0.04 0.00 0.02 0.00 0.00 55.36 56.68 3iss s GLN 364 Cb -0.03 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.35 3iss s GLN 364 CO 0.04 -0.39 -0.08 0.14 -2.12 0.00 0.00 175.29 172.89 3iss s VAL 365 N 2.34 1.18 -0.15 1.09 -7.23 -0.26 -4.96 120.40 112.41 3iss s VAL 365 Ca 0.41 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 3iss s VAL 365 Cb -0.17 -1.99 0.02 0.00 0.56 0.00 0.00 36.38 34.80 3iss s VAL 365 CO 0.12 -0.63 -0.19 -0.32 -0.31 0.00 0.00 175.10 173.77 3iss s MET 366 N -3.77 2.73 0.41 4.82 1.75 -1.26 -0.40 119.30 123.58 3iss s MET 366 Ca 0.20 -0.74 -0.22 0.00 -1.25 0.00 0.00 55.69 53.68 3iss s MET 366 Cb 0.03 -2.31 -0.10 0.00 2.84 0.00 0.00 34.83 35.28 3iss s MET 366 CO 0.03 -0.12 0.96 0.00 -0.65 0.00 0.00 175.02 175.24 3iss s ALA 367 N 1.10 3.07 0.00 4.11 0.00 -0.96 -4.95 121.76 124.14 3iss s ALA 367 Ca -0.01 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.41 3iss s ALA 367 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3iss s ALA 367 CO -0.07 0.09 0.00 0.25 0.00 0.00 0.00 175.76 176.03 3iss n THR 368 N -0.33 0.00 -3.99 0.00 -2.24 -1.26 -4.85 114.28 101.61 3iss n THR 368 Ca 0.06 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.54 3iss n THR 368 Cb 0.53 0.36 -0.16 0.00 -2.10 0.00 0.00 70.33 68.95 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 2.88 0.24 3.42 -1.08 -1.26 -5.03 116.67 115.85 3iss s ASP 369 Ca 0.00 -0.62 0.14 0.00 -0.52 0.00 0.00 52.55 51.55 3iss s ASP 369 Cb 0.00 -1.14 0.89 0.00 -1.46 0.00 0.00 42.92 41.21 3iss s ASP 369 CO 0.00 -0.10 1.04 -0.11 0.52 0.00 0.00 175.17 176.52 3iss n LEU 370 N 4.77 0.23 -0.05 -1.34 7.94 -1.26 -1.79 117.00 125.50 3iss n LEU 370 Ca -0.15 1.09 -0.08 0.00 -1.11 0.00 0.00 56.01 55.76 3iss n LEU 370 Cb 0.49 -0.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.86 3iss n LEU 370 CO 0.20 -1.23 -0.82 0.54 -1.11 0.00 0.00 177.39 174.98 3iss n ARG 371 N -4.49 0.22 -0.27 1.96 5.12 -1.26 -4.13 116.66 113.81 3iss n ARG 371 Ca 0.25 0.07 0.02 0.00 -1.93 0.00 0.00 57.85 56.27 3iss n ARG 371 Cb 0.85 -1.03 0.24 0.00 -1.16 0.00 0.00 32.46 31.36 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 -0.16 1.49 0.00 7.54 0.00 -1.81 -2.60 119.26 123.72 3iss h ALA 372 Ca -0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3iss h ALA 372 Cb 1.27 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3iss h ALA 372 CO -0.09 0.42 0.00 0.43 0.00 0.00 0.00 179.25 180.01 3iss n SER 373 N -4.45 0.41 0.08 0.00 7.64 -0.74 -1.77 113.62 114.80 3iss n SER 373 Ca 0.11 0.61 0.18 0.00 1.01 0.00 0.00 58.87 60.78 3iss n SER 373 Cb 0.12 -0.69 0.72 0.00 -1.01 0.00 0.00 64.21 63.34 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 2.32 2.27 0.00 -0.43 0.00 -1.69 0.15 119.26 121.87 3iss h ALA 374 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iss h ALA 374 Cb 0.29 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3iss h ALA 374 CO 0.00 -0.50 -0.13 0.66 0.00 0.00 0.00 179.25 179.28 3iss h SER 375 N 0.00 0.00 -0.12 0.00 4.64 -1.56 -1.13 113.55 115.38 3iss h SER 375 Ca 0.18 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 3iss h SER 375 Cb 0.78 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.87 3iss h SER 375 CO -0.00 0.13 -0.46 -0.07 -0.87 0.00 0.00 176.83 175.56 3iss h LEU 376 N 0.00 0.74 -0.16 5.97 3.38 -0.91 0.60 115.31 124.92 3iss h LEU 376 Ca -0.00 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3iss h LEU 376 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3iss h LEU 376 CO 0.02 1.08 -0.03 0.58 0.09 0.00 0.00 178.44 180.18 3iss h VAL 377 N 0.54 1.28 -0.47 1.22 2.07 -1.27 -1.65 116.25 117.97 3iss h VAL 377 Ca 0.03 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3iss h VAL 377 Cb 1.01 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 32.30 3iss h VAL 377 CO 0.09 0.28 0.14 -0.07 0.02 0.00 0.00 177.57 178.04 3iss h LEU 378 N 0.02 0.11 -0.74 2.57 4.07 -1.15 -1.49 115.31 118.71 3iss h LEU 378 Ca 0.04 0.07 0.10 0.00 0.08 0.00 0.00 57.88 58.17 3iss h LEU 378 Cb 0.45 0.07 -0.07 0.00 1.08 0.00 0.00 40.66 42.18 3iss h LEU 378 CO 0.01 0.09 0.38 0.00 -1.08 0.00 0.00 178.44 177.84 3iss h ALA 379 N 1.33 1.03 -0.95 1.53 0.00 -0.63 -0.68 119.26 120.90 3iss h ALA 379 Ca 0.23 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.27 3iss h ALA 379 Cb 0.26 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 3iss h ALA 379 CO -0.26 -0.03 0.61 0.78 0.00 0.00 0.00 179.25 180.35 3iss h GLY 380 N 0.63 1.42 1.66 0.00 0.00 -0.31 -0.89 103.07 105.58 3iss h GLY 380 Ca 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 3iss h GLY 380 CO -0.27 0.27 0.07 0.00 0.00 0.00 0.00 176.54 176.61 3iss n ILE 382 N -4.36 0.00 -1.92 0.00 -5.35 -0.84 -1.65 119.36 105.23 3iss n ILE 382 Ca 0.01 -0.36 -0.30 0.00 -0.27 0.00 0.00 62.75 61.83 3iss n ILE 382 Cb 0.17 1.23 0.03 0.00 -1.74 0.00 0.00 39.64 39.33 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 -1.87 3.00 -0.52 -1.28 0.00 -0.40 -4.53 121.76 116.17 3iss s ALA 383 Ca 0.15 -0.27 -0.25 0.00 0.00 0.00 0.00 51.96 51.60 3iss s ALA 383 Cb 0.14 -3.02 0.03 0.00 0.00 0.00 0.00 23.12 20.28 3iss s ALA 383 CO 0.38 -0.93 0.96 -2.00 0.00 0.00 0.00 175.76 174.16 3iss s GLU 384 N -5.26 3.42 0.00 0.00 2.56 0.13 -1.81 118.70 117.75 3iss s GLU 384 Ca 0.57 -0.06 0.00 0.00 0.00 0.00 0.00 54.97 55.48 3iss s GLU 384 Cb -0.11 -4.00 0.00 0.00 2.00 0.00 0.00 34.13 32.02 3iss s GLU 384 CO 0.52 -1.40 0.00 0.41 -0.56 0.00 0.00 175.26 174.23 3iss n GLY 385 N 5.04 0.60 3.41 -1.50 0.00 -0.21 -1.84 105.19 110.69 3iss n GLY 385 Ca 0.04 -1.73 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3iss n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 386 N 0.00 3.67 -0.12 2.61 2.01 -1.26 -1.07 115.64 121.48 3iss s THR 386 Ca 0.00 -0.41 -0.00 0.00 0.31 0.00 0.00 61.69 61.59 3iss s THR 386 Cb 0.00 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3iss s THR 386 CO 0.00 0.45 -0.12 -0.89 -0.69 0.00 0.00 174.62 173.37 3iss s THR 387 N 0.98 3.19 -0.30 -0.82 2.01 -0.15 -2.72 115.64 117.82 3iss s THR 387 Ca 0.00 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.34 3iss s THR 387 Cb -0.15 -2.34 0.03 0.00 0.01 0.00 0.00 72.50 70.06 3iss s THR 387 CO 0.01 0.53 0.04 -0.69 -0.69 0.00 0.00 174.62 173.82 3iss s VAL 388 N 0.17 3.47 -0.45 3.82 1.01 -0.99 -0.11 120.40 127.32 3iss s VAL 388 Ca -0.07 -1.05 -0.20 0.00 0.00 0.00 0.00 61.98 60.67 3iss s VAL 388 Cb -0.15 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.38 3iss s VAL 388 CO 0.05 -0.01 0.60 -0.69 0.00 0.00 0.00 175.10 175.04 3iss s VAL 389 N 1.38 4.89 0.42 2.92 1.01 0.22 -1.10 120.40 130.14 3iss s VAL 389 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 61.68 3iss s VAL 389 Cb -0.18 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 31.91 3iss s VAL 389 CO 0.00 -0.60 0.90 -0.62 0.00 0.00 0.00 175.10 174.78 3iss s ASP 390 N 2.09 6.82 -0.54 3.32 -1.08 0.47 -1.63 116.67 126.11 3iss s ASP 390 Ca 0.19 1.55 -0.03 0.00 -0.52 0.00 0.00 52.55 53.73 3iss s ASP 390 Cb -0.16 -2.49 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 3iss s ASP 390 CO 0.16 -0.38 0.47 -1.14 0.52 0.00 0.00 175.17 174.81 3iss n ARG 391 N -0.81 -3.19 0.00 4.34 0.63 -1.17 -2.28 116.66 114.18 3iss n ARG 391 Ca 0.06 0.34 0.12 0.00 -0.92 0.00 0.00 57.85 57.45 3iss n ARG 391 Cb 0.54 -3.87 0.70 0.00 0.45 0.00 0.00 32.46 30.28 3iss n ARG 391 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3iss n ILE 392 N -3.41 0.09 -0.16 5.15 -5.35 -1.23 -3.28 119.36 111.17 3iss n ILE 392 Ca -0.01 0.02 0.21 0.00 -0.27 0.00 0.00 62.75 62.70 3iss n ILE 392 Cb 0.53 -0.62 0.59 0.00 -1.74 0.00 0.00 39.64 38.40 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 0.30 -0.16 4.28 -0.00 -1.91 0.26 116.97 119.75 3iss h TYR 393 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 58.73 58.79 3iss h TYR 393 Cb 0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 36.73 36.67 3iss h TYR 393 CO 0.00 0.09 -0.22 0.45 -0.00 0.00 0.00 178.16 178.49 3iss h HIS 394 N 0.24 -0.57 -0.30 0.10 3.86 -1.92 -2.46 115.15 114.09 3iss h HIS 394 Ca 0.39 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.61 3iss h HIS 394 Cb 1.18 0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.91 3iss h HIS 394 CO -0.00 -0.29 0.07 0.82 0.86 0.00 0.00 177.93 179.38 3iss h ILE 395 N -0.26 1.15 0.00 2.45 2.04 -0.80 -1.34 117.51 120.75 3iss h ILE 395 Ca 0.11 -0.52 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3iss h ILE 395 Cb 0.42 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3iss h ILE 395 CO -0.31 0.19 -0.01 0.44 0.00 0.00 0.00 178.15 178.46 3iss h ASP 396 N 0.43 0.00 1.33 1.72 3.32 -0.69 -0.16 116.42 122.37 3iss h ASP 396 Ca 0.10 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3iss h ASP 396 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3iss h ASP 396 CO -0.00 0.01 -0.25 0.03 -1.72 0.00 0.00 179.24 177.31 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.00 -2.63 114.38 117.39 3iss h ARG 397 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3iss h ARG 397 Cb 0.02 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3iss h ARG 397 CO 0.00 0.25 -1.45 0.41 -1.07 0.00 0.00 179.97 178.11 3iss n GLY 398 N 0.67 -0.40 3.03 0.04 0.00 -0.18 -3.79 105.19 104.56 3iss n GLY 398 Ca 0.02 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.66 3iss n GLY 398 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3iss s TYR 399 N -2.46 0.86 -0.61 1.61 2.02 -0.57 -4.95 117.35 113.25 3iss s TYR 399 Ca -0.03 -0.16 -0.28 0.00 -0.37 0.00 0.00 57.07 56.22 3iss s TYR 399 Cb 0.04 -0.55 0.03 0.00 -0.40 0.00 0.00 41.96 41.08 3iss s TYR 399 CO 0.35 -0.01 1.24 -2.00 -1.57 0.00 0.00 175.55 173.55 3iss s GLU 400 N -0.23 3.43 -1.04 -0.62 2.12 -1.26 -4.46 118.70 116.63 3iss s GLU 400 Ca 0.04 0.18 -0.15 0.00 0.36 0.00 0.00 54.97 55.39 3iss s GLU 400 Cb -0.04 -4.06 -0.01 0.00 0.26 0.00 0.00 34.13 30.28 3iss s GLU 400 CO -0.00 -1.80 0.77 0.54 -0.54 0.00 0.00 175.26 174.22 3iss n ARG 401 N 8.65 -1.31 0.20 4.30 1.74 -1.26 -4.86 116.66 124.13 3iss n ARG 401 Ca 0.08 0.65 0.05 0.00 -0.77 0.00 0.00 57.85 57.86 3iss n ARG 401 Cb 0.49 -4.17 0.42 0.00 -1.02 0.00 0.00 32.46 28.18 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 -1.34 1.10 -0.04 0.55 2.10 -1.95 -2.69 117.51 115.24 3iss h ILE 402 Ca -0.57 -1.14 -0.12 0.00 1.08 0.00 0.00 64.86 64.11 3iss h ILE 402 Cb 1.32 1.64 -0.01 0.00 -1.09 0.00 0.00 36.82 38.67 3iss h ILE 402 CO 0.44 0.31 -0.52 1.05 -1.08 0.00 0.00 178.15 178.35 3iss h GLU 403 N 0.00 0.10 -0.16 2.19 9.09 -1.97 -1.75 114.58 122.07 3iss h GLU 403 Ca -0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 59.29 3iss h GLU 403 Cb 0.61 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3iss h GLU 403 CO 0.04 0.60 -0.14 -0.44 0.05 0.00 0.00 179.01 179.12 3iss h ASP 404 N 0.08 0.40 -0.36 3.06 3.32 -1.85 -1.04 116.42 120.03 3iss h ASP 404 Ca -0.00 -0.46 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3iss h ASP 404 Cb 0.95 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3iss h ASP 404 CO 0.07 0.78 -0.06 0.11 -1.72 0.00 0.00 179.24 178.43 3iss h LYS 405 N 0.03 0.77 -0.31 3.56 1.57 -1.49 -1.96 116.57 118.74 3iss h LYS 405 Ca 0.03 -0.23 -0.16 0.00 -1.87 0.00 0.00 60.65 58.42 3iss h LYS 405 Cb 0.66 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 3iss h LYS 405 CO 0.04 0.82 -0.44 -0.07 -0.57 0.00 0.00 179.45 179.22 3iss h LEU 406 N 0.71 0.93 -0.89 2.94 3.38 -1.27 -2.91 115.31 118.21 3iss h LEU 406 Ca 0.13 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3iss h LEU 406 Cb 0.52 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3iss h LEU 406 CO 0.03 1.25 0.57 -0.09 0.09 0.00 0.00 178.44 180.29 3iss h ARG 407 N 0.64 1.18 0.00 1.13 2.43 -1.07 -0.85 114.38 117.84 3iss h ARG 407 Ca 0.03 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3iss h ARG 407 Cb 1.04 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3iss h ARG 407 CO 0.10 0.80 0.00 0.00 -1.51 0.00 0.00 179.97 179.36 3iss n ALA 408 N -2.36 1.66 0.55 2.80 0.00 -0.75 -0.15 120.51 122.26 3iss n ALA 408 Ca 0.10 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.55 3iss n ALA 408 Cb 0.03 -1.17 0.04 0.00 0.00 0.00 0.00 19.45 18.36 3iss n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iss n LEU 409 N -1.26 1.93 0.00 0.00 4.77 -0.42 -4.69 117.00 117.33 3iss n LEU 409 Ca 0.05 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.08 3iss n LEU 409 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3iss n LEU 409 CO 0.08 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3iss n GLY 410 N 0.79 0.94 3.77 -0.72 0.00 0.78 -1.22 105.19 109.54 3iss n GLY 410 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3iss n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 411 N -2.00 3.30 -0.68 4.61 0.00 -0.61 -4.81 121.76 121.57 3iss s ALA 411 Ca 0.00 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.79 3iss s ALA 411 Cb 0.00 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.90 3iss s ALA 411 CO 0.00 -0.42 0.67 1.21 0.00 0.00 0.00 175.76 177.22 3iss s ASN 412 N -0.95 6.42 -0.00 0.00 3.84 -1.26 -4.37 114.94 118.62 3iss s ASN 412 Ca 0.52 -2.06 0.00 0.00 0.21 0.00 0.00 52.86 51.52 3iss s ASN 412 Cb -0.32 -2.24 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3iss s ASN 412 CO 0.41 -0.82 0.00 -0.51 -2.79 0.00 0.00 177.10 173.40 3iss s ILE 413 N 1.36 0.01 0.00 -5.21 2.07 -1.26 -0.69 121.20 117.48 3iss s ILE 413 Ca 0.12 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.38 3iss s ILE 413 Cb -0.20 -0.03 -0.00 0.00 0.13 0.00 0.00 42.46 42.35 3iss s ILE 413 CO -0.01 0.02 -0.02 -0.70 -1.91 0.00 0.00 174.94 172.31 3iss s GLU 414 N 0.13 0.20 -0.34 3.50 2.12 -0.12 -4.99 118.70 119.19 3iss s GLU 414 Ca -0.01 -0.17 -0.15 0.00 0.36 0.00 0.00 54.97 55.01 3iss s GLU 414 Cb -0.02 -0.14 -0.01 0.00 0.26 0.00 0.00 34.13 34.22 3iss s GLU 414 CO -0.00 0.03 0.33 0.50 -0.54 0.00 0.00 175.26 175.58 3iss s ARG 415 N -0.29 3.53 0.31 4.30 3.52 -1.26 -0.56 118.95 128.51 3iss s ARG 415 Ca -0.02 -0.49 0.09 0.00 -0.13 0.00 0.00 55.73 55.18 3iss s ARG 415 Cb -0.02 -3.81 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 3iss s ARG 415 CO -0.00 -0.51 0.03 0.14 -0.81 0.00 0.00 175.30 174.15 3iss s VAL 416 N 1.93 2.98 -0.42 7.11 -7.23 -0.34 -4.95 120.40 119.49 3iss s VAL 416 Ca 0.10 -1.91 0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3iss s VAL 416 Cb -0.17 -2.83 0.46 0.00 0.56 0.00 0.00 36.38 34.41 3iss s VAL 416 CO 0.11 -0.26 1.50 0.29 -0.31 0.00 0.00 175.10 176.43 3iss n LYS 417 N -0.96 3.12 0.00 4.82 4.76 -1.26 -1.56 118.16 127.07 3iss n LYS 417 Ca -0.05 -3.78 0.00 0.00 -2.87 0.00 0.00 58.31 51.62 3iss n LYS 417 Cb 0.61 -2.23 0.00 0.00 -1.84 0.00 0.00 35.03 31.56 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44