#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 4.49 0.09 7.83 1.11 -1.26 -4.05 116.67 124.88 3iss s ASP 2 Ca 0.00 2.34 0.00 0.00 0.18 0.00 0.00 52.55 55.07 3iss s ASP 2 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3iss s ASP 2 CO 0.00 -2.06 -0.02 -0.54 1.18 0.00 0.00 175.17 173.72 3iss s LYS 3 N -3.80 0.77 -0.18 8.23 1.02 -0.47 -3.11 119.74 122.20 3iss s LYS 3 Ca 0.75 -1.32 -0.06 0.00 0.02 0.00 0.00 55.97 55.36 3iss s LYS 3 Cb -0.29 0.04 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 3iss s LYS 3 CO 0.42 -0.11 0.01 -0.06 -0.92 0.00 0.00 175.35 174.70 3iss s PHE 4 N -3.82 3.11 -0.22 3.18 0.08 -0.75 -1.50 117.98 118.05 3iss s PHE 4 Ca 0.13 -0.21 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 3iss s PHE 4 Cb 0.07 -2.05 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 3iss s PHE 4 CO -0.05 -0.04 0.13 0.50 -0.10 0.00 0.00 175.22 175.66 3iss s ARG 5 N 0.60 4.05 -0.03 0.44 3.52 -0.34 -0.35 118.95 126.84 3iss s ARG 5 Ca 0.00 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.37 3iss s ARG 5 Cb -0.14 -3.45 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3iss s ARG 5 CO 0.02 0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 174.52 3iss s VAL 6 N 0.86 1.55 -0.14 7.11 1.01 0.37 -1.44 120.40 129.72 3iss s VAL 6 Ca 0.07 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3iss s VAL 6 Cb -0.13 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 34.95 3iss s VAL 6 CO 0.03 0.44 -0.20 -1.10 0.00 0.00 0.00 175.10 174.27 3iss s GLN 7 N -0.29 3.08 0.31 2.72 -1.52 0.10 -1.14 119.66 122.92 3iss s GLN 7 Ca 0.03 -0.82 0.05 0.00 -1.95 0.00 0.00 55.36 52.67 3iss s GLN 7 Cb -0.09 -2.49 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 3iss s GLN 7 CO 0.00 -0.01 0.29 0.41 -0.25 0.00 0.00 175.29 175.74 3iss n GLY 8 N 4.08 2.86 3.84 3.09 0.00 -0.11 -4.16 105.19 114.78 3iss n GLY 8 Ca -0.20 -1.82 -0.31 0.00 0.00 0.00 0.00 46.02 43.69 3iss n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iss s PRO 9 N -3.14 3.45 -0.17 1.61 0.04 -0.84 -0.86 135.00 135.08 3iss s PRO 9 Ca 0.35 0.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.14 3iss s PRO 9 Cb 0.01 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.54 3iss s PRO 9 CO 0.25 -0.69 0.44 -0.08 0.04 0.00 0.00 177.00 176.95 3iss s THR 10 N -2.97 -0.01 -0.34 1.26 -1.32 -0.70 -4.99 115.64 106.57 3iss s THR 10 Ca 0.57 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.93 3iss s THR 10 Cb -0.12 -0.62 -0.01 0.00 -1.51 0.00 0.00 72.50 70.23 3iss s THR 10 CO 0.49 0.01 0.37 -0.75 -2.21 0.00 0.00 174.62 172.53 3iss s LYS 11 N 0.66 3.59 -0.31 7.08 2.20 -1.26 -4.57 119.74 127.13 3iss s LYS 11 Ca -0.03 -0.38 -0.25 0.00 -0.36 0.00 0.00 55.97 54.94 3iss s LYS 11 Cb -0.05 -3.80 0.01 0.00 -1.51 0.00 0.00 37.83 32.48 3iss s LYS 11 CO -0.04 -0.51 0.88 -0.51 -0.36 0.00 0.00 175.35 174.80 3iss s LEU 12 N 2.03 4.05 0.07 5.43 1.43 -1.26 -4.71 118.68 125.72 3iss s LEU 12 Ca 0.12 0.80 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 3iss s LEU 12 Cb -0.16 -3.22 0.03 0.00 0.03 0.00 0.00 46.19 42.87 3iss s LEU 12 CO 0.12 -0.69 0.40 0.00 0.23 0.00 0.00 176.35 176.40 3iss s GLN 13 N 3.15 0.96 0.00 1.70 -2.07 -0.43 -3.43 119.66 119.54 3iss s GLN 13 Ca 0.36 -0.50 0.00 0.00 -1.82 0.00 0.00 55.36 53.40 3iss s GLN 13 Cb -0.14 0.42 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 3iss s GLN 13 CO 0.13 -0.34 0.00 0.41 -1.32 0.00 0.00 175.29 174.17 3iss n GLY 14 N 0.26 0.32 3.30 2.60 0.00 -0.54 -4.43 105.19 106.70 3iss n GLY 14 Ca -0.18 -1.64 -0.16 0.00 0.00 0.00 0.00 46.02 44.04 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 -1.02 1.35 -0.05 1.61 -1.05 -1.26 -1.82 118.70 116.46 3iss s GLU 15 Ca 0.00 -1.71 -0.09 0.00 -0.15 0.00 0.00 54.97 53.02 3iss s GLU 15 Cb 0.00 -0.28 0.02 0.00 -0.44 0.00 0.00 34.13 33.42 3iss s GLU 15 CO 0.00 -0.25 0.22 0.54 0.95 0.00 0.00 175.26 176.72 3iss s VAL 16 N -3.72 0.04 -0.23 1.83 0.11 -0.37 -4.81 120.40 113.25 3iss s VAL 16 Ca 0.34 -0.30 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 3iss s VAL 16 Cb 0.07 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 3iss s VAL 16 CO 0.11 -0.16 0.27 -0.89 -3.33 0.00 0.00 175.10 171.10 3iss s THR 17 N -0.61 5.28 0.03 5.04 2.01 -1.26 -0.19 115.64 125.94 3iss s THR 17 Ca -0.07 0.41 -0.30 0.00 0.31 0.00 0.00 61.69 62.04 3iss s THR 17 Cb -0.04 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3iss s THR 17 CO 0.01 0.28 1.06 -0.63 -0.69 0.00 0.00 174.62 174.65 3iss s ILE 18 N 1.31 4.53 0.91 1.82 -1.09 0.27 -4.94 121.20 124.01 3iss s ILE 18 Ca 0.12 1.85 -0.13 0.00 -2.23 0.00 0.00 60.65 60.26 3iss s ILE 18 Cb -0.14 -4.18 0.14 0.00 -1.58 0.00 0.00 42.46 36.70 3iss s ILE 18 CO 0.07 0.16 1.17 -0.44 -1.23 0.00 0.00 174.94 174.66 3iss s SER 19 N 0.92 3.51 0.62 3.58 0.01 -1.26 -4.83 113.70 116.25 3iss s SER 19 Ca 0.54 0.82 -0.18 0.00 1.31 0.00 0.00 55.95 58.44 3iss s SER 19 Cb -0.24 -1.29 -0.02 0.00 0.21 0.00 0.00 66.02 64.68 3iss s SER 19 CO 0.29 -2.53 1.22 -0.83 0.41 0.00 0.00 173.24 171.80 3iss s GLY 20 N -4.24 2.69 -0.17 3.44 0.00 -1.23 -1.64 107.32 106.18 3iss s GLY 20 Ca 0.65 1.02 -0.29 0.00 0.00 0.00 0.00 44.72 46.11 3iss s GLY 20 CO 0.52 1.42 2.07 0.00 0.00 0.00 0.00 173.10 177.11 3iss s ALA 21 N -1.63 2.99 0.27 3.20 0.00 0.34 -4.32 121.76 122.61 3iss s ALA 21 Ca 0.78 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3iss s ALA 21 Cb -0.31 -4.00 0.62 0.00 0.00 0.00 0.00 23.12 19.43 3iss s ALA 21 CO 0.36 -2.42 1.68 -0.22 0.00 0.00 0.00 175.76 175.16 3iss h LYS 22 N 13.44 0.31 -0.20 0.00 3.64 -1.91 -0.55 116.57 131.30 3iss h LYS 22 Ca -0.42 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3iss h LYS 22 Cb 1.22 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 3iss h LYS 22 CO 0.97 0.21 0.00 0.09 -2.27 0.00 0.00 179.45 178.44 3iss n ASN 23 N -5.12 1.21 -0.11 4.20 3.02 -1.26 -2.14 115.26 115.06 3iss n ASN 23 Ca 0.19 -1.89 -0.19 0.00 -0.03 0.00 0.00 54.58 52.67 3iss n ASN 23 Cb 0.58 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.11 1.52 -0.14 5.41 0.00 -0.60 -4.48 120.51 122.34 3iss n ALA 24 Ca 0.10 -0.92 -0.04 0.00 0.00 0.00 0.00 53.44 52.57 3iss n ALA 24 Cb 0.21 0.08 0.02 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 -0.31 0.18 0.19 0.00 0.00 -1.09 -2.31 119.26 115.93 3iss h ALA 25 Ca -0.52 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3iss h ALA 25 Cb 1.66 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.90 3iss h ALA 25 CO -0.18 -0.52 -0.11 -0.07 0.00 0.00 0.00 179.25 178.37 3iss h LEU 26 N -0.08 -0.27 -1.20 0.00 4.07 -1.69 0.24 115.31 116.38 3iss h LEU 26 Ca 0.22 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.13 3iss h LEU 26 Cb 0.41 0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 3iss h LEU 26 CO -0.50 -0.18 -0.06 -0.65 -1.08 0.00 0.00 178.44 175.96 3iss h PRO 27 N -0.29 0.47 -0.25 1.13 0.11 -1.77 -2.81 132.00 128.60 3iss h PRO 27 Ca -0.02 -0.11 -0.07 0.00 0.11 0.00 0.00 66.00 65.91 3iss h PRO 27 Cb 0.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.27 3iss h PRO 27 CO 0.03 0.55 -0.11 0.82 -0.21 0.00 0.00 178.00 179.08 3iss h ILE 28 N 0.45 1.30 -0.90 4.15 2.04 -1.07 0.12 117.51 123.59 3iss h ILE 28 Ca 0.09 -1.17 0.16 0.00 1.00 0.00 0.00 64.86 64.94 3iss h ILE 28 Cb 0.39 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.93 3iss h ILE 28 CO 0.02 0.37 0.58 -0.07 0.00 0.00 0.00 178.15 179.04 3iss h LEU 29 N 0.25 0.61 0.00 1.44 4.07 -0.86 -1.36 115.31 119.45 3iss h LEU 29 Ca 0.06 0.04 -0.17 0.00 0.08 0.00 0.00 57.88 57.89 3iss h LEU 29 Cb 0.60 -0.07 -0.03 0.00 1.08 0.00 0.00 40.66 42.24 3iss h LEU 29 CO 0.03 0.29 -0.95 -0.26 -1.08 0.00 0.00 178.44 176.47 3iss h PHE 30 N 0.63 0.00 0.00 1.13 0.04 -1.20 -3.12 116.94 114.42 3iss h PHE 30 Ca 0.46 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.18 3iss h PHE 30 Cb 0.83 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 3iss h PHE 30 CO -0.00 0.74 -0.26 0.00 -0.60 0.00 0.00 178.31 178.19 3iss h ALA 31 N 1.26 1.13 -0.02 2.45 0.00 -0.21 -2.76 119.26 121.11 3iss h ALA 31 Ca -0.06 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3iss h ALA 31 Cb 1.62 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3iss h ALA 31 CO 0.09 0.32 0.03 0.00 0.00 0.00 0.00 179.25 179.69 3iss h ALA 32 N 1.74 1.44 0.00 0.00 0.00 -1.21 -1.53 119.26 119.70 3iss h ALA 32 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iss h ALA 32 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3iss h ALA 32 CO 0.03 -0.04 0.06 -0.07 0.00 0.00 0.00 179.25 179.23 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.65 -0.35 115.31 116.69 3iss h LEU 33 Ca 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 3iss h LEU 33 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3iss h LEU 33 CO -0.00 0.00 -0.58 -0.07 0.09 0.00 0.00 178.44 177.88 3iss h LEU 34 N 0.00 0.00 -9.81 1.67 3.38 -1.50 -3.47 115.31 105.57 3iss h LEU 34 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3iss h LEU 34 Cb 0.13 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.91 3iss h LEU 34 CO 0.00 0.54 0.53 0.00 0.09 0.00 0.00 178.44 179.59 3iss s ALA 35 N -2.94 3.44 -1.19 1.53 0.00 -0.14 -4.41 121.76 118.04 3iss s ALA 35 Ca 0.03 1.00 0.14 0.00 0.00 0.00 0.00 51.96 53.14 3iss s ALA 35 Cb 0.08 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 3iss s ALA 35 CO 0.75 -0.31 0.75 0.39 0.00 0.00 0.00 175.76 177.34 3iss n GLU 36 N 1.20 1.93 -4.45 0.00 1.02 -0.47 -4.38 120.64 115.50 3iss n GLU 36 Ca -0.00 -0.62 -0.24 0.00 -0.02 0.00 0.00 57.16 56.28 3iss n GLU 36 Cb 0.44 -1.20 -0.10 0.00 -0.02 0.00 0.00 31.44 30.56 3iss n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3iss s GLU 37 N -1.81 1.61 0.72 3.49 2.02 -1.22 -4.70 118.70 118.81 3iss s GLU 37 Ca 0.11 -1.70 -0.16 0.00 0.02 0.00 0.00 54.97 53.23 3iss s GLU 37 Cb 0.11 -1.71 0.01 0.00 0.10 0.00 0.00 34.13 32.64 3iss s GLU 37 CO 0.39 0.33 1.05 -2.30 0.02 0.00 0.00 175.26 174.74 3iss n PRO 38 N -0.43 0.57 -3.93 0.39 -0.02 -1.26 -4.07 135.00 126.25 3iss n PRO 38 Ca -0.07 0.25 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 3iss n PRO 38 Cb 0.59 -2.29 -0.12 0.00 -0.02 0.00 0.00 33.50 31.66 3iss n PRO 38 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iss s VAL 39 N -1.78 0.07 -0.15 -1.45 0.11 -0.15 -2.35 120.40 114.70 3iss s VAL 39 Ca 0.75 -0.50 0.01 0.00 -2.93 0.00 0.00 61.98 59.31 3iss s VAL 39 Cb -0.35 -0.16 0.02 0.00 -1.53 0.00 0.00 36.38 34.37 3iss s VAL 39 CO 0.49 -0.27 -0.18 -0.70 -3.33 0.00 0.00 175.10 171.11 3iss s GLU 40 N -0.80 2.67 -0.28 1.54 2.12 -0.13 -1.21 118.70 122.62 3iss s GLU 40 Ca -0.09 -0.71 -0.09 0.00 0.36 0.00 0.00 54.97 54.45 3iss s GLU 40 Cb -0.05 -2.30 -0.03 0.00 0.26 0.00 0.00 34.13 32.01 3iss s GLU 40 CO -0.01 -0.16 0.12 0.42 -0.54 0.00 0.00 175.26 175.09 3iss s ILE 41 N 1.22 4.59 0.27 -3.70 1.09 -0.16 -1.74 121.20 122.77 3iss s ILE 41 Ca 0.01 -0.19 -0.00 0.00 -1.10 0.00 0.00 60.65 59.36 3iss s ILE 41 Cb -0.14 -3.22 -0.04 0.00 -1.06 0.00 0.00 42.46 38.00 3iss s ILE 41 CO -0.09 0.23 0.47 -1.10 -0.10 0.00 0.00 174.94 174.35 3iss s GLN 42 N 1.64 3.52 -1.18 2.79 -0.21 0.55 -0.60 119.66 126.17 3iss s GLN 42 Ca 0.06 -0.32 -0.06 0.00 0.02 0.00 0.00 55.36 55.06 3iss s GLN 42 Cb -0.16 -2.75 0.01 0.00 1.00 0.00 0.00 33.01 31.11 3iss s GLN 42 CO 0.06 0.28 0.79 -1.71 -2.12 0.00 0.00 175.29 172.59 3iss n ASN 43 N -1.16 -5.51 -4.70 5.90 5.15 -1.25 -1.92 115.26 111.77 3iss n ASN 43 Ca -0.05 -0.36 -0.40 0.00 -0.60 0.00 0.00 54.58 53.17 3iss n ASN 43 Cb 0.55 -4.21 -0.04 0.00 -0.53 0.00 0.00 39.78 35.55 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 -3.19 4.98 0.52 3.44 1.01 -1.26 -3.47 120.40 122.43 3iss s VAL 44 Ca 0.39 1.52 -0.22 0.00 0.00 0.00 0.00 61.98 63.68 3iss s VAL 44 Cb -0.17 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 3iss s VAL 44 CO 0.49 0.17 1.25 -2.16 0.00 0.00 0.00 175.10 174.84 3iss s PRO 45 N 1.29 3.38 -0.95 2.72 0.04 -1.26 -4.80 135.00 135.42 3iss s PRO 45 Ca 0.38 1.97 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 3iss s PRO 45 Cb -0.17 -2.26 0.09 0.00 0.04 0.00 0.00 34.50 32.19 3iss s PRO 45 CO 0.17 -0.92 1.26 0.15 0.04 0.00 0.00 177.00 177.70 3iss s LYS 46 N -2.89 3.57 0.10 4.56 1.02 -1.26 -4.85 119.74 119.99 3iss s LYS 46 Ca 0.69 -1.41 0.05 0.00 0.02 0.00 0.00 55.97 55.32 3iss s LYS 46 Cb -0.34 -5.06 -0.03 0.00 -0.52 0.00 0.00 37.83 31.88 3iss s LYS 46 CO 0.40 -1.97 -0.13 -0.51 -0.92 0.00 0.00 175.35 172.21 3iss s LEU 47 N 3.80 2.35 0.40 3.17 1.43 -1.26 -4.42 118.68 124.15 3iss s LEU 47 Ca 0.38 -0.73 0.11 0.00 -1.03 0.00 0.00 54.13 52.86 3iss s LEU 47 Cb -0.03 -0.50 0.82 0.00 0.03 0.00 0.00 46.19 46.51 3iss s LEU 47 CO -0.08 -0.14 1.92 0.50 0.23 0.00 0.00 176.35 178.78 3iss h LYS 48 N 3.85 0.17 -0.38 1.70 1.63 -1.61 -2.00 116.57 119.92 3iss h LYS 48 Ca -0.40 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 59.34 3iss h LYS 48 Cb 1.19 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.78 3iss h LYS 48 CO 0.47 0.34 0.15 -0.44 -3.45 0.00 0.00 179.45 176.52 3iss h ASP 49 N 0.16 0.49 -0.27 4.20 5.19 -1.82 -0.09 116.42 124.26 3iss h ASP 49 Ca 0.03 -0.05 -0.08 0.00 -0.62 0.00 0.00 57.03 56.32 3iss h ASP 49 Cb 0.39 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 3iss h ASP 49 CO 0.03 0.44 -0.12 0.58 -3.12 0.00 0.00 179.24 177.05 3iss h VAL 50 N 0.54 1.30 -0.20 -1.35 2.07 -1.69 -2.43 116.25 114.49 3iss h VAL 50 Ca 0.13 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3iss h VAL 50 Cb 0.11 1.50 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 3iss h VAL 50 CO -0.01 0.38 -0.11 0.44 0.02 0.00 0.00 177.57 178.29 3iss h ASP 51 N 0.31 -0.36 -0.99 0.57 3.32 -1.07 0.30 116.42 118.50 3iss h ASP 51 Ca 0.06 0.08 0.04 0.00 0.02 0.00 0.00 57.03 57.23 3iss h ASP 51 Cb 0.63 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 40.32 3iss h ASP 51 CO 0.04 -0.14 0.65 0.74 -1.72 0.00 0.00 179.24 178.80 3iss h THR 52 N -0.09 1.18 -0.24 0.35 2.02 -1.03 0.16 112.91 115.26 3iss h THR 52 Ca 0.11 -0.43 -0.02 0.00 0.77 0.00 0.00 66.41 66.84 3iss h THR 52 Cb 0.26 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3iss h THR 52 CO -0.26 0.23 0.07 0.28 0.37 0.00 0.00 175.52 176.21 3iss h SER 53 N 1.25 0.35 -0.30 4.18 0.02 -0.87 -1.64 113.55 116.55 3iss h SER 53 Ca 0.39 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3iss h SER 53 Cb -0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3iss h SER 53 CO -0.12 0.47 0.19 0.24 -1.14 0.00 0.00 176.83 176.47 3iss h MET 54 N 0.22 0.41 -0.75 3.45 2.07 0.04 0.43 114.93 120.79 3iss h MET 54 Ca 0.08 -0.03 0.15 0.00 -2.07 0.00 0.00 59.70 57.82 3iss h MET 54 Cb 0.25 -0.09 -0.10 0.00 -1.87 0.00 0.00 31.60 29.79 3iss h MET 54 CO -0.00 0.30 0.27 -0.22 1.07 0.00 0.00 176.91 178.33 3iss h LYS 55 N 0.39 0.37 -0.04 1.72 1.63 -0.60 -0.14 116.57 119.91 3iss h LYS 55 Ca 0.11 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3iss h LYS 55 Cb -0.00 -0.08 -0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3iss h LYS 55 CO -0.02 0.25 -0.02 1.25 -3.45 0.00 0.00 179.45 177.46 3iss h LEU 56 N 0.38 0.08 -0.28 5.20 5.85 -0.40 -1.74 115.31 124.40 3iss h LEU 56 Ca 0.42 -0.42 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3iss h LEU 56 Cb 0.67 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 3iss h LEU 56 CO -0.44 0.48 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.85 3iss h LEU 57 N -0.31 -0.73 -0.47 2.25 4.07 -0.54 -1.32 115.31 118.25 3iss h LEU 57 Ca 0.01 0.14 0.06 0.00 0.08 0.00 0.00 57.88 58.17 3iss h LEU 57 Cb 0.45 0.36 -0.05 0.00 1.08 0.00 0.00 40.66 42.50 3iss h LEU 57 CO 0.01 -0.26 0.18 -1.28 -1.08 0.00 0.00 178.44 176.00 3iss h SER 58 N -0.21 0.20 -0.21 -0.43 0.87 -1.03 -0.33 113.55 112.42 3iss h SER 58 Ca 0.15 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.82 3iss h SER 58 Cb 0.44 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 3iss h SER 58 CO -0.40 0.14 0.15 -0.61 -0.53 0.00 0.00 176.83 175.58 3iss h GLN 59 N 0.36 0.01 0.00 2.24 4.15 -0.64 0.80 115.11 122.03 3iss h GLN 59 Ca 0.22 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3iss h GLN 59 Cb 0.21 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 3iss h GLN 59 CO -0.22 0.01 0.00 1.28 -1.93 0.00 0.00 178.83 177.97 3iss n LEU 60 N -4.48 0.66 0.00 -2.39 4.77 -0.18 -4.82 117.00 110.57 3iss n LEU 60 Ca 0.02 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 3iss n LEU 60 Cb 0.28 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3iss n LEU 60 CO 0.35 -0.18 0.00 0.61 -1.33 0.00 0.00 177.39 176.84 3iss n GLY 61 N 1.22 1.20 3.85 -0.72 0.00 0.27 -2.19 105.19 108.81 3iss n GLY 61 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 3iss n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 62 N -2.00 3.14 -0.34 4.61 0.00 -0.94 -3.85 121.76 122.38 3iss s ALA 62 Ca 0.00 0.13 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 3iss s ALA 62 Cb 0.00 -3.02 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 3iss s ALA 62 CO 0.00 -0.10 0.45 0.15 0.00 0.00 0.00 175.76 176.26 3iss s LYS 63 N -3.82 3.65 -0.03 0.00 3.01 0.79 -4.20 119.74 119.14 3iss s LYS 63 Ca 0.58 -0.22 0.04 0.00 -1.01 0.00 0.00 55.97 55.36 3iss s LYS 63 Cb -0.10 -3.79 -0.00 0.00 -1.01 0.00 0.00 37.83 32.93 3iss s LYS 63 CO 0.28 -0.56 -0.15 0.08 0.51 0.00 0.00 175.35 175.51 3iss s VAL 64 N 2.23 1.21 -0.01 3.17 1.01 -1.26 -0.21 120.40 126.55 3iss s VAL 64 Ca 0.16 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 3iss s VAL 64 Cb -0.16 -1.04 0.04 0.00 0.00 0.00 0.00 36.38 35.22 3iss s VAL 64 CO 0.12 0.35 0.45 -1.83 0.00 0.00 0.00 175.10 174.19 3iss s GLU 65 N -0.07 0.85 0.30 2.72 -1.05 -0.82 -5.01 118.70 115.64 3iss s GLU 65 Ca -0.00 -0.11 0.03 0.00 -0.15 0.00 0.00 54.97 54.74 3iss s GLU 65 Cb -0.09 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 33.98 3iss s GLU 65 CO 0.01 -0.26 0.33 2.89 0.95 0.00 0.00 175.26 179.17 3iss n ARG 66 N 0.95 0.47 0.00 -4.83 1.85 -1.26 0.02 116.66 113.86 3iss n ARG 66 Ca -0.20 -2.75 0.00 0.00 -1.00 0.00 0.00 57.85 53.90 3iss n ARG 66 Cb 0.57 2.41 0.00 0.00 -1.05 0.00 0.00 32.46 34.39 3iss n ARG 66 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3iss n ASP 67 N -1.77 0.00 0.00 2.89 8.00 -1.26 -4.95 116.55 119.46 3iss n ASP 67 Ca 0.04 0.30 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3iss n ASP 67 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iss n GLY 68 N -0.56 0.42 3.75 0.44 0.00 -1.26 -5.16 105.19 102.83 3iss n GLY 68 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 -0.32 -0.18 1.61 0.01 -1.26 -3.85 113.70 109.71 3iss s SER 69 Ca 0.00 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.79 3iss s SER 69 Cb 0.00 0.67 -0.00 0.00 0.21 0.00 0.00 66.02 66.90 3iss s SER 69 CO 0.00 -1.22 -0.11 -0.69 0.41 0.00 0.00 173.24 171.63 3iss s VAL 70 N -3.81 2.90 -0.22 3.43 1.01 0.23 -4.19 120.40 119.76 3iss s VAL 70 Ca 0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.29 3iss s VAL 70 Cb -0.04 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 3iss s VAL 70 CO 0.02 0.48 0.17 -1.00 0.00 0.00 0.00 175.10 174.78 3iss s HIS 71 N 1.10 3.37 -0.08 5.22 3.76 0.10 -0.99 115.29 127.77 3iss s HIS 71 Ca 0.00 0.31 0.02 0.00 -0.15 0.00 0.00 55.06 55.25 3iss s HIS 71 Cb -0.14 -2.24 0.01 0.00 1.11 0.00 0.00 32.58 31.31 3iss s HIS 71 CO -0.03 0.16 -0.14 0.42 -0.85 0.00 0.00 174.74 174.31 3iss s ILE 72 N 0.75 1.30 -0.30 0.60 1.01 -0.35 -1.93 121.20 122.28 3iss s ILE 72 Ca 0.09 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.21 3iss s ILE 72 Cb -0.13 -1.19 0.07 0.00 0.01 0.00 0.00 42.46 41.23 3iss s ILE 72 CO 0.02 0.40 -0.03 -0.62 0.00 0.00 0.00 174.94 174.71 3iss s ASP 73 N 0.77 4.65 -0.19 3.58 -1.08 0.71 -0.98 116.67 124.13 3iss s ASP 73 Ca -0.12 -1.66 0.16 0.00 -0.52 0.00 0.00 52.55 50.41 3iss s ASP 73 Cb -0.16 -1.61 0.65 0.00 -1.46 0.00 0.00 42.92 40.35 3iss s ASP 73 CO 0.02 -0.28 1.56 0.00 0.52 0.00 0.00 175.17 177.00 3iss n ALA 74 N 4.41 3.34 -0.14 3.66 0.00 -1.26 -0.15 120.51 130.37 3iss n ALA 74 Ca -0.08 -2.09 -0.11 0.00 0.00 0.00 0.00 53.44 51.17 3iss n ALA 74 Cb 0.42 -0.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.97 3iss n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iss h ARG 75 N 2.82 0.72 -0.81 0.00 3.08 -1.84 -3.26 114.38 115.09 3iss h ARG 75 Ca 0.00 -0.24 -0.13 0.00 0.07 0.00 0.00 59.98 59.67 3iss h ARG 75 Cb 1.65 -0.06 -0.08 0.00 0.08 0.00 0.00 29.97 31.56 3iss h ARG 75 CO 0.33 0.83 0.17 -0.25 -1.07 0.00 0.00 179.97 179.98 3iss n ASP 76 N -4.41 4.09 -4.71 7.04 8.00 -1.26 -4.93 116.55 120.37 3iss n ASP 76 Ca -0.01 -2.84 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 3iss n ASP 76 Cb 0.31 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3iss n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iss s VAL 77 N -2.30 2.30 0.00 2.53 1.01 -1.23 -4.73 120.40 117.98 3iss s VAL 77 Ca 0.40 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.46 3iss s VAL 77 Cb 0.31 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3iss s VAL 77 CO 0.10 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.74 3iss n ASN 78 N 4.66 0.00 -4.38 3.32 6.94 -0.93 -5.00 115.26 119.86 3iss n ASN 78 Ca 0.16 -0.52 -0.30 0.00 -0.02 0.00 0.00 54.58 53.91 3iss n ASN 78 Cb 0.37 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.65 3iss n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iss s VAL 79 N 0.00 2.34 -0.13 3.53 0.11 -0.93 -5.06 120.40 120.25 3iss s VAL 79 Ca 0.00 -1.37 0.16 0.00 -2.93 0.00 0.00 61.98 57.84 3iss s VAL 79 Cb 0.00 -1.95 0.39 0.00 -1.53 0.00 0.00 36.38 33.30 3iss s VAL 79 CO 0.00 0.33 1.19 0.49 -3.33 0.00 0.00 175.10 173.78 3iss n PHE 80 N 1.63 0.00 -4.67 1.54 3.72 -1.26 -4.70 117.46 113.72 3iss n PHE 80 Ca -0.17 -1.07 -0.25 0.00 -0.05 0.00 0.00 57.45 55.91 3iss n PHE 80 Cb 0.52 -0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 38.69 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 0.57 3.55 0.54 0.00 0.00 0.53 -4.90 121.76 122.06 3iss s ALA 82 Ca -0.14 -2.17 -0.19 0.00 0.00 0.00 0.00 51.96 49.46 3iss s ALA 82 Cb -0.16 -3.19 -0.06 0.00 0.00 0.00 0.00 23.12 19.72 3iss s ALA 82 CO 0.04 -1.88 1.09 -1.25 0.00 0.00 0.00 175.76 173.77 3iss s PRO 83 N 1.83 3.43 0.28 0.00 0.04 -1.26 -2.15 135.00 137.17 3iss s PRO 83 Ca 0.06 1.47 -0.07 0.00 0.04 0.00 0.00 61.00 62.50 3iss s PRO 83 Cb -0.25 -2.03 0.49 0.00 0.04 0.00 0.00 34.50 32.75 3iss s PRO 83 CO 0.06 -0.76 1.56 -0.92 0.04 0.00 0.00 177.00 176.99 3iss h TYR 84 N 1.10 -0.46 -0.64 0.56 3.20 -1.97 -0.87 116.97 117.89 3iss h TYR 84 Ca -0.49 0.09 0.16 0.00 3.14 0.00 0.00 58.73 61.63 3iss h TYR 84 Cb 1.24 0.36 -0.03 0.00 1.54 0.00 0.00 36.73 39.84 3iss h TYR 84 CO 0.54 -0.43 0.45 -0.44 -1.64 0.00 0.00 178.16 176.64 3iss h ASP 85 N 0.00 0.14 0.00 -2.11 3.32 -2.00 -0.99 116.42 114.77 3iss h ASP 85 Ca 0.49 0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.44 3iss h ASP 85 Cb 0.79 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.30 3iss h ASP 85 CO -1.01 0.07 -0.71 -0.07 -1.72 0.00 0.00 179.24 175.81 3iss h LEU 86 N 0.15 0.00 -0.81 1.55 4.07 -1.53 -3.36 115.31 115.37 3iss h LEU 86 Ca 0.31 -0.44 0.17 0.00 0.08 0.00 0.00 57.88 58.00 3iss h LEU 86 Cb 1.02 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.65 3iss h LEU 86 CO -0.04 1.12 0.32 0.58 -1.08 0.00 0.00 178.44 179.34 3iss h VAL 87 N -1.00 0.58 -0.13 1.22 2.07 -1.25 0.18 116.25 117.92 3iss h VAL 87 Ca -0.16 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3iss h VAL 87 Cb 0.93 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3iss h VAL 87 CO -0.10 0.08 0.13 0.07 0.02 0.00 0.00 177.57 177.76 3iss h LYS 88 N 0.42 0.00 0.00 1.57 2.10 -1.36 -0.69 116.57 118.61 3iss h LYS 88 Ca 0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.12 3iss h LYS 88 Cb 0.78 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.11 3iss h LYS 88 CO -0.46 0.00 -0.81 0.25 -2.00 0.00 0.00 179.45 176.43 3iss n THR 89 N -3.98 0.28 -3.15 0.07 -2.24 0.60 -4.77 114.28 101.09 3iss n THR 89 Ca 0.00 -0.27 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 3iss n THR 89 Cb 0.24 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 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 -3.19 0.51 0.00 -0.78 1.75 -0.28 -5.04 119.30 112.27 3iss s MET 90 Ca 0.05 0.51 0.10 0.00 -1.25 0.00 0.00 55.69 55.10 3iss s MET 90 Cb 0.14 0.23 0.44 0.00 2.84 0.00 0.00 34.83 38.48 3iss s MET 90 CO 0.76 -0.94 1.30 2.89 -0.65 0.00 0.00 175.02 178.37 3iss n ARG 91 N 5.38 0.03 0.12 4.11 1.85 -1.13 -1.50 116.66 125.53 3iss n ARG 91 Ca 0.05 0.30 0.11 0.00 -1.00 0.00 0.00 57.85 57.32 3iss n ARG 91 Cb 0.54 -1.50 0.47 0.00 -1.05 0.00 0.00 32.46 30.93 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss n ALA 92 N -1.46 1.58 -0.04 2.89 0.00 -1.26 -2.52 120.51 119.69 3iss n ALA 92 Ca 0.03 0.08 0.23 0.00 0.00 0.00 0.00 53.44 53.78 3iss n ALA 92 Cb 0.11 -1.36 0.71 0.00 0.00 0.00 0.00 19.45 18.92 3iss n ALA 92 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3iss h SER 93 N 0.00 0.00 -0.71 0.00 0.02 -1.59 0.01 113.55 111.27 3iss h SER 93 Ca 0.00 0.00 0.21 0.00 -0.84 0.00 0.00 61.79 61.16 3iss h SER 93 Cb 0.30 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.81 3iss h SER 93 CO 0.00 0.00 0.80 -0.29 -1.14 0.00 0.00 176.83 176.20 3iss h ILE 94 N 0.00 0.20 0.00 3.27 6.09 -1.74 0.06 117.51 125.39 3iss h ILE 94 Ca 0.30 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 3iss h ILE 94 Cb 1.27 0.36 0.00 0.00 0.47 0.00 0.00 36.82 38.92 3iss h ILE 94 CO -0.00 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.87 3iss n TRP 95 N -3.51 0.21 0.01 2.19 8.01 -0.01 -1.78 117.44 122.57 3iss n TRP 95 Ca 0.15 0.09 -0.07 0.00 -1.31 0.00 0.00 57.50 56.37 3iss n TRP 95 Cb 1.04 -0.65 0.12 0.00 -2.01 0.00 0.00 31.31 29.81 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 2.30 0.87 -0.33 6.99 0.00 -1.21 -3.34 119.26 124.55 3iss h ALA 96 Ca 0.00 -0.45 0.06 0.00 0.00 0.00 0.00 54.91 54.52 3iss h ALA 96 Cb 0.19 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 3iss h ALA 96 CO 0.00 0.65 -0.44 1.25 0.00 0.00 0.00 179.25 180.70 3iss h LEU 97 N 0.40 -1.45 -0.05 0.00 5.85 -1.57 -2.58 115.31 115.93 3iss h LEU 97 Ca 0.03 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3iss h LEU 97 Cb 0.92 0.62 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 3iss h LEU 97 CO 0.08 -0.39 -0.33 1.23 -0.34 0.00 0.00 178.44 178.69 3iss h GLY 98 N -0.39 -1.26 0.67 3.75 0.00 -1.78 -1.97 103.07 102.10 3iss h GLY 98 Ca 0.11 0.66 0.06 0.00 0.00 0.00 0.00 47.33 48.17 3iss h GLY 98 CO -0.53 -0.36 0.44 -2.55 0.00 0.00 0.00 176.54 173.55 3iss h PRO 99 N -0.37 0.78 -0.40 4.80 0.11 -1.73 -1.19 132.00 134.00 3iss h PRO 99 Ca 0.01 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 66.13 3iss h PRO 99 Cb 0.42 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 31.31 3iss h PRO 99 CO -0.24 0.52 0.12 -0.07 -0.21 0.00 0.00 178.00 178.12 3iss h LEU 100 N 0.80 0.11 -0.52 2.35 3.38 -1.18 -0.24 115.31 120.00 3iss h LEU 100 Ca 0.34 0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.20 3iss h LEU 100 Cb 0.21 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3iss h LEU 100 CO -0.19 0.10 -0.50 0.58 0.09 0.00 0.00 178.44 178.53 3iss h VAL 101 N 0.27 1.31 -0.45 1.22 2.07 -0.93 -0.58 116.25 119.15 3iss h VAL 101 Ca 0.19 -1.71 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 3iss h VAL 101 Cb 0.18 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3iss h VAL 101 CO -0.20 0.54 0.23 0.00 0.02 0.00 0.00 177.57 178.15 3iss h ALA 102 N 0.95 0.58 0.13 1.67 0.00 -0.76 -2.30 119.26 119.53 3iss h ALA 102 Ca 0.02 -0.10 -0.36 0.00 0.00 0.00 0.00 54.91 54.47 3iss h ALA 102 Cb 1.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3iss h ALA 102 CO 0.10 0.13 -1.94 -0.09 0.00 0.00 0.00 179.25 177.45 3iss h ARG 103 N 0.59 0.27 -0.01 0.00 2.43 -1.03 -3.41 114.38 113.21 3iss h ARG 103 Ca 0.16 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 3iss h ARG 103 Cb 0.10 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 3iss h ARG 103 CO -0.02 1.22 -0.05 1.19 -1.51 0.00 0.00 179.97 180.80 3iss n PHE 104 N -3.54 0.00 -0.91 2.20 3.72 -0.23 -5.00 117.46 113.70 3iss n PHE 104 Ca -0.31 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.09 3iss n PHE 104 Cb 1.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.57 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 0.58 0.67 3.29 1.37 0.00 -0.87 -4.97 105.19 105.27 3iss n GLY 105 Ca 0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.29 1.04 -0.29 1.61 -2.07 -1.25 -1.13 119.66 117.27 3iss s GLN 106 Ca 0.00 -1.05 -0.23 0.00 -1.82 0.00 0.00 55.36 52.27 3iss s GLN 106 Cb 0.00 0.38 0.18 0.00 -1.09 0.00 0.00 33.01 32.48 3iss s GLN 106 CO 0.00 -0.37 1.31 0.20 -1.32 0.00 0.00 175.29 175.11 3iss s GLY 107 N -2.91 0.31 -0.20 2.60 0.00 -0.49 -3.02 107.32 103.61 3iss s GLY 107 Ca 0.11 3.44 0.00 0.00 0.00 0.00 0.00 44.72 48.27 3iss s GLY 107 CO -0.05 2.14 -0.06 1.20 0.00 0.00 0.00 173.10 176.33 3iss s GLN 108 N 0.36 1.59 -0.03 2.90 1.11 0.04 -0.35 119.66 125.28 3iss s GLN 108 Ca 0.02 -0.78 0.07 0.00 0.01 0.00 0.00 55.36 54.69 3iss s GLN 108 Cb -0.04 -2.34 -0.02 0.00 -1.01 0.00 0.00 33.01 29.60 3iss s GLN 108 CO -0.13 -0.51 -0.24 0.08 0.01 0.00 0.00 175.29 174.49 3iss s VAL 109 N 1.50 1.95 0.22 1.09 1.01 -0.77 -0.34 120.40 125.06 3iss s VAL 109 Ca -0.03 -1.04 -0.31 0.00 0.00 0.00 0.00 61.98 60.60 3iss s VAL 109 Cb -0.17 -1.63 -0.11 0.00 0.00 0.00 0.00 36.38 34.47 3iss s VAL 109 CO -0.07 0.55 1.61 -0.55 0.00 0.00 0.00 175.10 176.64 3iss s SER 110 N -0.44 6.47 -0.14 3.32 0.15 -0.91 -0.31 113.70 121.83 3iss s SER 110 Ca 0.05 2.79 -0.29 0.00 0.70 0.00 0.00 55.95 59.21 3iss s SER 110 Cb -0.11 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3iss s SER 110 CO 0.00 -0.88 1.52 -0.22 1.20 0.00 0.00 173.24 174.86 3iss s LEU 111 N 0.53 4.15 0.31 3.45 1.98 0.09 -4.82 118.68 124.36 3iss s LEU 111 Ca 0.68 1.87 -0.30 0.00 -2.89 0.00 0.00 54.13 53.50 3iss s LEU 111 Cb -0.47 -3.53 -0.11 0.00 0.66 0.00 0.00 46.19 42.74 3iss s LEU 111 CO 0.37 -0.98 1.59 -2.65 -1.89 0.00 0.00 176.35 172.80 3iss n PRO 112 N 7.14 2.74 0.00 0.98 -0.02 -1.26 -5.00 135.00 139.58 3iss n PRO 112 Ca 0.17 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.62 3iss n PRO 112 Cb 0.44 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 3iss n PRO 112 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3iss n GLY 113 N 1.86 1.19 3.77 -1.23 0.00 -1.26 -5.02 105.19 104.51 3iss n GLY 113 Ca 0.07 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.15 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 2.87 0.09 -0.02 0.00 -1.26 -4.90 107.32 104.10 3iss s GLY 114 Ca 0.00 0.63 0.05 0.00 0.00 0.00 0.00 44.72 45.40 3iss s GLY 114 CO 0.00 1.11 -0.03 0.00 0.00 0.00 0.00 173.10 174.18 3iss h THR 116 N 3.00 0.00 0.00 0.00 1.35 -1.98 -3.23 112.91 112.06 3iss h THR 116 Ca -0.48 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 3iss h THR 116 Cb 1.17 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3iss h THR 116 CO 0.57 0.00 -0.44 2.30 -0.25 0.00 0.00 175.52 177.71 3iss n ILE 117 N -2.91 0.02 -1.10 6.82 -5.35 -1.26 -4.89 119.36 110.68 3iss n ILE 117 Ca -0.01 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.46 3iss n ILE 117 Cb 0.17 0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 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 1.49 0.27 3.70 3.28 0.00 -1.22 -3.35 105.19 109.37 3iss n GLY 118 Ca 0.06 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.02 3.68 -0.41 4.61 0.00 -1.26 -4.41 121.76 122.95 3iss s ALA 119 Ca 0.00 1.19 0.11 0.00 0.00 0.00 0.00 51.96 53.26 3iss s ALA 119 Cb 0.00 -3.63 0.36 0.00 0.00 0.00 0.00 23.12 19.86 3iss s ALA 119 CO 0.00 -0.88 0.81 0.54 0.00 0.00 0.00 175.76 176.23 3iss n ARG 120 N 4.73 1.53 -1.05 0.00 1.74 -1.26 -5.05 116.66 117.30 3iss n ARG 120 Ca 0.14 -3.71 -0.31 0.00 -0.77 0.00 0.00 57.85 53.20 3iss n ARG 120 Cb 0.41 -1.79 0.12 0.00 -1.02 0.00 0.00 32.46 30.18 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 -2.75 1.73 -0.15 5.56 0.04 -1.26 -4.98 135.00 133.18 3iss s PRO 121 Ca 0.41 1.40 0.15 0.00 0.04 0.00 0.00 61.00 62.99 3iss s PRO 121 Cb 0.35 -1.82 0.34 0.00 0.04 0.00 0.00 34.50 33.41 3iss s PRO 121 CO -0.08 -2.08 1.17 1.33 0.04 0.00 0.00 177.00 177.38 3iss n VAL 122 N -3.71 1.80 -0.34 -0.36 0.24 -1.26 -4.80 118.33 109.89 3iss n VAL 122 Ca 0.11 -2.47 0.15 0.00 -2.04 0.00 0.00 64.34 60.08 3iss n VAL 122 Cb 0.52 -0.12 0.37 0.00 -1.47 0.00 0.00 33.84 33.14 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 0.49 0.70 -0.20 -1.34 2.03 -2.00 -1.51 116.42 114.60 3iss h ASP 123 Ca -0.01 0.09 -0.09 0.00 -0.73 0.00 0.00 57.03 56.29 3iss h ASP 123 Cb 1.08 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 39.53 3iss h ASP 123 CO 0.01 0.23 -0.16 -0.07 -1.03 0.00 0.00 179.24 178.22 3iss h LEU 124 N 0.67 0.61 0.49 0.15 3.38 -1.99 0.09 115.31 118.71 3iss h LEU 124 Ca 0.57 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 3iss h LEU 124 Cb 1.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3iss h LEU 124 CO -0.35 0.78 -0.24 0.45 0.09 0.00 0.00 178.44 179.17 3iss h HIS 125 N 0.55 -0.61 0.14 1.13 3.86 -1.62 -1.38 115.15 117.22 3iss h HIS 125 Ca 0.09 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 3iss h HIS 125 Cb 0.59 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 29.24 3iss h HIS 125 CO 0.02 -0.35 -0.23 0.82 0.86 0.00 0.00 177.93 179.05 3iss h ILE 126 N -0.74 0.48 -0.84 2.45 2.04 -1.33 -2.11 117.51 117.47 3iss h ILE 126 Ca -0.07 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3iss h ILE 126 Cb 0.54 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 3iss h ILE 126 CO 0.11 0.00 0.52 -1.28 0.00 0.00 0.00 178.15 177.51 3iss h SER 127 N -0.45 0.83 -0.86 1.72 0.87 -0.99 -0.66 113.55 114.01 3iss h SER 127 Ca 0.02 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 3iss h SER 127 Cb 0.46 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3iss h SER 127 CO -0.11 0.54 0.55 1.23 -0.53 0.00 0.00 176.83 178.51 3iss h GLY 128 N 0.97 1.23 1.08 5.77 0.00 -0.96 -0.98 103.07 110.17 3iss h GLY 128 Ca 0.36 -0.48 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 3iss h GLY 128 CO -0.16 0.47 -0.36 1.41 0.00 0.00 0.00 176.54 177.90 3iss h LEU 129 N 1.18 0.92 -1.16 3.11 3.38 -0.60 -2.28 115.31 119.85 3iss h LEU 129 Ca 0.31 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3iss h LEU 129 Cb -0.10 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.35 3iss h LEU 129 CO -0.06 1.20 0.53 -0.33 0.09 0.00 0.00 178.44 179.87 3iss h GLU 130 N 0.65 1.09 0.00 1.13 5.08 -0.90 -1.43 114.58 120.21 3iss h GLU 130 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 3iss h GLU 130 Cb 0.95 -0.24 -0.00 0.00 0.50 0.00 0.00 28.75 29.95 3iss h GLU 130 CO 0.09 0.74 -0.13 0.37 -1.00 0.00 0.00 179.01 179.08 3iss h GLN 131 N 1.12 0.00 -0.27 2.33 4.15 -0.92 -0.77 115.11 120.75 3iss h GLN 131 Ca 0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.72 3iss h GLN 131 Cb -0.10 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.59 3iss h GLN 131 CO -0.06 0.13 0.00 1.28 -1.93 0.00 0.00 178.83 178.25 3iss n LEU 132 N -3.36 1.69 0.00 -2.39 4.77 -0.62 -4.77 117.00 112.32 3iss n LEU 132 Ca -0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 3iss n LEU 132 Cb 0.33 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3iss n LEU 132 CO 0.30 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 3iss n GLY 133 N 1.05 0.35 3.78 -0.72 0.00 -0.30 -1.74 105.19 107.62 3iss n GLY 133 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 2.82 -0.17 4.61 0.00 -0.72 -4.85 121.76 121.45 3iss s ALA 134 Ca 0.00 0.74 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 3iss s ALA 134 Cb 0.00 -3.31 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3iss s ALA 134 CO 0.00 -0.53 0.03 0.99 0.00 0.00 0.00 175.76 176.25 3iss s THR 135 N -1.83 4.50 -0.07 0.00 2.01 0.11 -4.25 115.64 116.11 3iss s THR 135 Ca 0.69 -0.14 0.02 0.00 0.31 0.00 0.00 61.69 62.56 3iss s THR 135 Cb -0.21 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.31 3iss s THR 135 CO 0.25 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.91 3iss s ILE 136 N 0.31 1.08 0.13 1.82 1.01 -1.26 -1.47 121.20 122.82 3iss s ILE 136 Ca 0.01 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.26 3iss s ILE 136 Cb -0.13 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 3iss s ILE 136 CO 0.01 0.35 -0.07 -1.59 0.00 0.00 0.00 174.94 173.64 3iss s LYS 137 N 0.81 0.97 -0.28 2.79 -2.85 -0.52 -4.97 119.74 115.69 3iss s LYS 137 Ca -0.12 -1.42 0.01 0.00 -1.00 0.00 0.00 55.97 53.44 3iss s LYS 137 Cb -0.15 -0.39 0.06 0.00 -2.06 0.00 0.00 37.83 35.28 3iss s LYS 137 CO 0.02 0.00 -0.06 -1.17 0.10 0.00 0.00 175.35 174.24 3iss s LEU 138 N -3.12 3.67 -0.00 2.77 2.96 -1.26 0.29 118.68 123.99 3iss s LEU 138 Ca 0.16 -1.36 0.02 0.00 -0.22 0.00 0.00 54.13 52.72 3iss s LEU 138 Cb 0.04 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 3iss s LEU 138 CO -0.01 -0.22 -0.07 -1.83 -1.32 0.00 0.00 176.35 172.90 3iss s GLU 139 N 1.16 0.55 -1.31 1.98 -1.05 -0.59 -4.80 118.70 114.64 3iss s GLU 139 Ca -0.07 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.49 3iss s GLU 139 Cb -0.20 -0.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.97 3iss s GLU 139 CO -0.03 0.14 0.00 0.39 0.95 0.00 0.00 175.26 176.71 3iss n GLU 140 N 2.86 -2.03 -0.89 -4.83 1.02 -1.26 -0.77 120.64 114.73 3iss n GLU 140 Ca -0.13 0.74 0.00 0.00 -0.02 0.00 0.00 57.16 57.75 3iss n GLU 140 Cb 0.58 -5.36 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -0.86 0.90 3.74 0.62 0.00 -1.26 -5.02 105.19 103.30 3iss n GLY 141 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.58 3.39 -0.44 1.61 2.02 0.05 -0.73 117.35 119.66 3iss s TYR 142 Ca 0.00 0.29 -0.26 0.00 -0.37 0.00 0.00 57.07 56.74 3iss s TYR 142 Cb 0.00 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.54 3iss s TYR 142 CO 0.00 0.38 0.94 0.54 -1.57 0.00 0.00 175.55 175.84 3iss s VAL 143 N -0.11 4.48 -0.35 0.71 0.11 0.58 -1.54 120.40 124.28 3iss s VAL 143 Ca 0.09 0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 59.91 3iss s VAL 143 Cb -0.12 -4.43 0.01 0.00 -1.53 0.00 0.00 36.38 30.31 3iss s VAL 143 CO 0.01 -0.78 0.20 -0.54 -3.33 0.00 0.00 175.10 170.65 3iss s LYS 144 N 3.75 3.14 0.04 1.54 1.02 0.14 -1.84 119.74 127.53 3iss s LYS 144 Ca 0.38 -0.87 0.03 0.00 0.02 0.00 0.00 55.97 55.53 3iss s LYS 144 Cb -0.10 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 3iss s LYS 144 CO 0.25 -0.55 0.01 0.00 -0.92 0.00 0.00 175.35 174.14 3iss s ALA 145 N 1.61 3.32 -0.05 5.17 0.00 0.53 -1.44 121.76 130.89 3iss s ALA 145 Ca 0.04 -1.01 -0.22 0.00 0.00 0.00 0.00 51.96 50.77 3iss s ALA 145 Cb -0.18 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.68 3iss s ALA 145 CO 0.07 0.68 0.50 -1.54 0.00 0.00 0.00 175.76 175.46 3iss s SER 146 N -1.89 -0.44 -0.09 0.00 1.04 -0.54 -1.39 113.70 110.39 3iss s SER 146 Ca 0.23 0.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.09 3iss s SER 146 Cb -0.12 0.52 0.04 0.00 0.10 0.00 0.00 66.02 66.56 3iss s SER 146 CO 0.14 -0.48 0.21 0.54 0.98 0.00 0.00 173.24 174.63 3iss s VAL 147 N -1.04 -0.03 -0.63 5.02 0.11 -0.28 -0.71 120.40 122.83 3iss s VAL 147 Ca -0.11 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.79 3iss s VAL 147 Cb -0.03 -0.32 0.01 0.00 -1.53 0.00 0.00 36.38 34.51 3iss s VAL 147 CO 0.06 0.05 1.53 -0.62 -3.33 0.00 0.00 175.10 172.79 3iss s ASP 148 N 0.93 5.85 0.26 3.54 2.15 -1.26 -4.71 116.67 123.43 3iss s ASP 148 Ca -0.07 0.08 0.00 0.00 0.43 0.00 0.00 52.55 52.99 3iss s ASP 148 Cb -0.08 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 148 CO -0.06 -1.98 0.00 0.61 -0.17 0.00 0.00 175.17 173.58 3iss n GLY 149 N 5.45 0.70 3.61 2.66 0.00 -1.26 -4.94 105.19 111.41 3iss n GLY 149 Ca 0.12 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.72 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 2.02 0.85 1.61 1.70 -1.26 -4.69 118.95 119.19 3iss s ARG 150 Ca 0.00 -1.78 -0.11 0.00 -0.47 0.00 0.00 55.73 53.38 3iss s ARG 150 Cb 0.00 -1.89 0.10 0.00 -0.57 0.00 0.00 34.95 32.60 3iss s ARG 150 CO 0.00 0.14 1.10 -0.51 -1.08 0.00 0.00 175.30 174.96 3iss s LEU 151 N -3.69 2.75 -0.12 -1.89 1.43 -1.26 -4.81 118.68 111.08 3iss s LEU 151 Ca 0.34 1.85 0.03 0.00 -1.03 0.00 0.00 54.13 55.32 3iss s LEU 151 Cb 0.00 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 41.85 3iss s LEU 151 CO 0.19 -2.53 -0.22 -0.54 0.23 0.00 0.00 176.35 173.48 3iss s LYS 152 N -4.82 3.07 0.36 1.70 1.02 -0.71 0.25 119.74 120.60 3iss s LYS 152 Ca 0.63 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 55.53 3iss s LYS 152 Cb -0.19 -2.41 -0.14 0.00 -0.52 0.00 0.00 37.83 34.57 3iss s LYS 152 CO 0.57 0.08 0.63 0.41 -0.92 0.00 0.00 175.35 176.12 3iss n GLY 153 N 3.81 -1.31 3.36 -3.33 0.00 0.01 -4.59 105.19 103.14 3iss n GLY 153 Ca -0.19 0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 3iss n GLY 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 154 N -1.31 -0.57 -0.47 4.61 0.00 -1.08 -4.76 121.76 118.18 3iss s ALA 154 Ca 0.62 -0.41 -0.19 0.00 0.00 0.00 0.00 51.96 51.98 3iss s ALA 154 Cb -0.68 0.75 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3iss s ALA 154 CO 0.58 -0.67 0.61 -1.58 0.00 0.00 0.00 175.76 174.70 3iss s HIS 155 N -3.88 3.07 -0.20 0.00 2.46 -1.26 -1.16 115.29 114.32 3iss s HIS 155 Ca 0.09 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.24 3iss s HIS 155 Cb 0.02 -3.39 -0.00 0.00 -0.13 0.00 0.00 32.58 29.08 3iss s HIS 155 CO -0.06 -0.94 -0.09 0.42 -2.47 0.00 0.00 174.74 171.60 3iss s ILE 156 N 2.64 3.04 -0.31 0.89 1.01 0.12 -4.96 121.20 123.62 3iss s ILE 156 Ca 0.17 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.12 3iss s ILE 156 Cb -0.17 -2.35 -0.00 0.00 0.01 0.00 0.00 42.46 39.95 3iss s ILE 156 CO 0.14 0.46 0.13 -0.69 0.00 0.00 0.00 174.94 174.99 3iss s VAL 157 N 1.26 4.41 -0.10 2.92 1.01 -1.26 -0.25 120.40 128.39 3iss s VAL 157 Ca 0.03 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 3iss s VAL 157 Cb -0.14 -3.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.96 3iss s VAL 157 CO -0.04 0.06 1.07 -0.04 0.00 0.00 0.00 175.10 176.14 3iss s MET 158 N 1.58 4.39 0.17 2.72 1.00 -0.56 -4.95 119.30 123.64 3iss s MET 158 Ca 0.04 1.47 -0.17 0.00 0.00 0.00 0.00 55.69 57.03 3iss s MET 158 Cb -0.17 -3.56 0.09 0.00 0.00 0.00 0.00 34.83 31.19 3iss s MET 158 CO 0.05 -0.38 1.67 -0.44 0.00 0.00 0.00 175.02 175.92 3iss h ASP 159 N 7.23 -0.39 -4.21 3.03 3.32 -1.93 -3.44 116.42 120.03 3iss h ASP 159 Ca -0.31 0.12 -0.43 0.00 0.02 0.00 0.00 57.03 56.44 3iss h ASP 159 Cb 1.14 0.25 -0.14 0.00 0.22 0.00 0.00 39.33 40.81 3iss h ASP 159 CO 0.87 -0.14 -0.58 -1.59 -1.72 0.00 0.00 179.24 176.09 3iss s LYS 160 N -6.21 1.60 -0.13 3.56 -2.85 -1.26 -5.12 119.74 109.33 3iss s LYS 160 Ca -0.14 -1.91 -0.29 0.00 -1.00 0.00 0.00 55.97 52.63 3iss s LYS 160 Cb 0.14 -0.34 -0.01 0.00 -2.06 0.00 0.00 37.83 35.57 3iss s LYS 160 CO 0.71 -0.37 1.01 0.08 0.10 0.00 0.00 175.35 176.88 3iss s VAL 161 N -3.55 4.76 -0.09 1.79 1.01 -1.26 -4.99 120.40 118.08 3iss s VAL 161 Ca 0.35 2.04 -0.03 0.00 0.00 0.00 0.00 61.98 64.33 3iss s VAL 161 Cb 0.06 -4.31 0.05 0.00 0.00 0.00 0.00 36.38 32.18 3iss s VAL 161 CO 0.16 -0.03 0.16 -0.55 0.00 0.00 0.00 175.10 174.83 3iss s SER 162 N 1.12 0.82 0.08 3.32 0.15 -1.26 -5.03 113.70 112.90 3iss s SER 162 Ca 0.47 0.29 -0.24 0.00 0.70 0.00 0.00 55.95 57.18 3iss s SER 162 Cb -0.18 0.25 -0.16 0.00 -1.71 0.00 0.00 66.02 64.23 3iss s SER 162 CO 0.15 -0.25 1.70 0.58 1.20 0.00 0.00 173.24 176.62 3iss h VAL 163 N 6.37 1.00 0.05 4.45 2.07 -1.95 -2.07 116.25 126.17 3iss h VAL 163 Ca -0.13 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3iss h VAL 163 Cb 1.12 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.93 3iss h VAL 163 CO 0.15 0.02 -0.11 1.23 0.02 0.00 0.00 177.57 178.88 3iss h GLY 164 N -0.08 -0.17 1.27 2.17 0.00 -2.00 -2.08 103.07 102.18 3iss h GLY 164 Ca -0.00 0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 3iss h GLY 164 CO 0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 176.54 176.24 3iss h ALA 165 N 0.71 0.85 -0.64 3.60 0.00 -1.93 -1.52 119.26 120.33 3iss h ALA 165 Ca 0.02 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.63 3iss h ALA 165 Cb 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 165 CO -0.07 0.64 0.34 1.15 0.00 0.00 0.00 179.25 181.31 3iss h THR 166 N 0.74 0.94 -0.22 0.00 2.02 -1.24 -0.56 112.91 114.59 3iss h THR 166 Ca 0.11 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.03 3iss h THR 166 Cb 0.72 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3iss h THR 166 CO 0.06 0.12 0.00 0.58 0.37 0.00 0.00 175.52 176.64 3iss h VAL 167 N 0.63 1.25 -0.31 3.16 2.07 -1.14 -1.47 116.25 120.44 3iss h VAL 167 Ca 0.29 -0.88 0.06 0.00 0.82 0.00 0.00 66.70 67.00 3iss h VAL 167 Cb 0.20 1.40 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3iss h VAL 167 CO -0.19 0.27 -0.05 0.74 0.02 0.00 0.00 177.57 178.36 3iss h THR 168 N 0.16 0.71 -0.15 2.57 2.02 -0.83 -1.23 112.91 116.17 3iss h THR 168 Ca 0.06 -0.01 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 3iss h THR 168 Cb 0.40 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.49 3iss h THR 168 CO 0.01 0.01 -0.17 0.40 0.37 0.00 0.00 175.52 176.14 3iss h ILE 169 N 0.03 1.35 -0.51 3.11 2.04 -1.13 -2.28 117.51 120.12 3iss h ILE 169 Ca 0.15 -1.36 0.09 0.00 1.00 0.00 0.00 64.86 64.74 3iss h ILE 169 Cb 0.22 1.91 -0.07 0.00 -0.74 0.00 0.00 36.82 38.14 3iss h ILE 169 CO -0.30 0.40 0.08 -0.03 0.00 0.00 0.00 178.15 178.30 3iss h MET 170 N -0.01 0.21 -0.40 2.37 4.05 -1.15 -1.25 114.93 118.76 3iss h MET 170 Ca 0.02 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.39 3iss h MET 170 Cb 0.72 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.45 3iss h MET 170 CO 0.04 0.14 0.10 0.00 0.23 0.00 0.00 176.91 177.42 3iss h ALA 172 N 0.95 1.35 0.00 0.00 0.00 -1.02 -2.92 119.26 117.63 3iss h ALA 172 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 3iss h ALA 172 Cb 0.30 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iss h ALA 172 CO 0.00 0.45 -0.45 0.00 0.00 0.00 0.00 179.25 179.25 3iss h ALA 173 N 1.56 1.10 -0.05 0.00 0.00 -1.12 -3.13 119.26 117.62 3iss h ALA 173 Ca 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.54 3iss h ALA 173 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3iss h ALA 173 CO 0.04 0.56 0.25 1.79 0.00 0.00 0.00 179.25 181.90 3iss h THR 174 N 0.00 0.07 -0.08 0.00 1.35 -1.48 -0.68 112.91 112.10 3iss h THR 174 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 3iss h THR 174 Cb 0.88 0.76 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 3iss h THR 174 CO 0.06 0.00 -0.16 0.18 -0.25 0.00 0.00 175.52 175.35 3iss n LEU 175 N -3.08 2.92 -4.98 3.87 4.77 -1.18 -1.73 117.00 117.58 3iss n LEU 175 Ca -0.01 -3.41 -0.20 0.00 -0.03 0.00 0.00 56.01 52.35 3iss n LEU 175 Cb 0.32 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 3iss n LEU 175 CO 0.17 0.98 0.21 0.00 -1.33 0.00 0.00 177.39 177.43 3iss s ALA 176 N -3.03 4.09 -0.45 -1.18 0.00 -0.26 -4.50 121.76 116.42 3iss s ALA 176 Ca 0.37 -1.36 -0.28 0.00 0.00 0.00 0.00 51.96 50.69 3iss s ALA 176 Cb 0.33 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.59 3iss s ALA 176 CO 0.00 -0.34 1.05 -1.21 0.00 0.00 0.00 175.76 175.27 3iss s GLU 177 N -4.45 3.70 0.59 0.00 2.02 0.14 -4.07 118.70 116.63 3iss s GLU 177 Ca 0.51 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.97 3iss s GLU 177 Cb -0.10 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.24 3iss s GLU 177 CO 0.35 -1.27 0.00 0.41 0.02 0.00 0.00 175.26 174.77 3iss n GLY 178 N 4.77 -0.88 3.56 -1.39 0.00 -1.26 -0.81 105.19 109.19 3iss n GLY 178 Ca 0.10 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 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 4.23 -0.09 2.61 2.01 -1.26 -0.92 115.64 122.22 3iss s THR 179 Ca 0.00 -0.24 -0.01 0.00 0.31 0.00 0.00 61.69 61.75 3iss s THR 179 Cb 0.00 -2.86 -0.03 0.00 0.01 0.00 0.00 72.50 69.62 3iss s THR 179 CO 0.00 0.50 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.49 3iss s THR 180 N 0.22 3.92 -0.17 -0.82 2.01 0.37 -2.62 115.64 118.55 3iss s THR 180 Ca -0.00 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.62 3iss s THR 180 Cb -0.13 -2.64 0.02 0.00 0.01 0.00 0.00 72.50 69.76 3iss s THR 180 CO 0.02 0.58 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.74 3iss s ILE 181 N -0.55 1.77 -0.32 1.82 1.01 -0.31 -0.90 121.20 123.72 3iss s ILE 181 Ca 0.09 -0.81 -0.14 0.00 0.00 0.00 0.00 60.65 59.78 3iss s ILE 181 Cb -0.12 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 3iss s ILE 181 CO 0.02 0.44 0.31 -0.63 0.00 0.00 0.00 174.94 175.08 3iss s ILE 182 N 1.40 5.22 -0.06 2.92 1.01 -0.26 0.13 121.20 131.56 3iss s ILE 182 Ca 0.04 0.12 -0.05 0.00 0.00 0.00 0.00 60.65 60.76 3iss s ILE 182 Cb -0.13 -3.73 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 3iss s ILE 182 CO -0.11 0.03 0.16 -1.61 0.00 0.00 0.00 174.94 173.41 3iss s GLU 183 N 1.93 3.43 -1.07 2.79 0.41 0.66 -1.87 118.70 124.98 3iss s GLU 183 Ca 0.10 -0.23 -0.04 0.00 -0.41 0.00 0.00 54.97 54.39 3iss s GLU 183 Cb -0.16 -3.14 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 3iss s GLU 183 CO 0.11 0.72 0.53 -1.71 -0.49 0.00 0.00 175.26 174.43 3iss n ASN 184 N 1.43 -4.89 -4.78 -0.19 4.05 -0.12 -1.50 115.26 109.28 3iss n ASN 184 Ca -0.15 -0.25 -0.32 0.00 0.45 0.00 0.00 54.58 54.31 3iss n ASN 184 Cb 0.54 -3.68 0.06 0.00 1.23 0.00 0.00 39.78 37.93 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 -3.05 2.46 0.28 5.20 0.00 0.10 -4.58 121.76 122.17 3iss s ALA 185 Ca 0.26 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 3iss s ALA 185 Cb -0.12 -3.27 -0.09 0.00 0.00 0.00 0.00 23.12 19.64 3iss s ALA 185 CO 0.33 -1.39 1.03 0.00 0.00 0.00 0.00 175.76 175.73 3iss s ALA 186 N -2.67 3.34 -1.71 0.00 0.00 -1.26 -4.50 121.76 114.95 3iss s ALA 186 Ca 0.63 0.76 0.18 0.00 0.00 0.00 0.00 51.96 53.53 3iss s ALA 186 Cb -0.18 -3.27 0.45 0.00 0.00 0.00 0.00 23.12 20.13 3iss s ALA 186 CO 0.48 -0.01 1.37 0.54 0.00 0.00 0.00 175.76 178.14 3iss n ARG 187 N 1.12 2.58 -1.52 0.00 3.00 -1.26 -4.65 116.66 115.93 3iss n ARG 187 Ca -0.01 -2.29 -0.47 0.00 -0.01 0.00 0.00 57.85 55.07 3iss n ARG 187 Cb 0.46 -1.44 -0.03 0.00 0.00 0.00 0.00 32.46 31.46 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 1.20 0.85 -0.25 5.56 4.71 -1.26 -4.60 120.64 126.85 3iss n GLU 188 Ca 0.18 0.30 0.19 0.00 -0.01 0.00 0.00 57.16 57.82 3iss n GLU 188 Cb 0.54 -1.57 0.50 0.00 -1.01 0.00 0.00 31.44 29.90 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 1.90 0.41 0.00 3.49 0.11 -1.95 0.57 132.00 136.52 3iss h PRO 189 Ca -0.37 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.68 3iss h PRO 189 Cb 1.38 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3iss h PRO 189 CO 0.61 0.27 -0.18 0.93 -0.21 0.00 0.00 178.00 179.42 3iss h GLU 190 N 0.42 0.00 -0.02 1.05 3.07 -1.88 -1.22 114.58 116.00 3iss h GLU 190 Ca 0.47 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 59.13 3iss h GLU 190 Cb 1.15 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.06 3iss h GLU 190 CO -0.18 0.18 -0.85 0.82 -1.40 0.00 0.00 179.01 177.58 3iss h ILE 191 N 0.00 1.42 -0.16 3.13 2.04 -1.22 -1.44 117.51 121.28 3iss h ILE 191 Ca -0.00 -2.39 -0.02 0.00 1.00 0.00 0.00 64.86 63.44 3iss h ILE 191 Cb 0.49 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.90 3iss h ILE 191 CO 0.02 0.71 0.01 0.58 0.00 0.00 0.00 178.15 179.48 3iss h VAL 192 N 0.20 1.24 -0.54 1.67 2.07 -1.21 -1.30 116.25 118.37 3iss h VAL 192 Ca -0.05 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3iss h VAL 192 Cb 1.46 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.64 3iss h VAL 192 CO 0.14 0.23 0.36 -0.78 0.02 0.00 0.00 177.57 177.54 3iss h ASP 193 N 0.04 0.63 -0.90 0.57 3.58 -1.21 -0.07 116.42 119.06 3iss h ASP 193 Ca 0.05 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3iss h ASP 193 Cb 0.34 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.19 3iss h ASP 193 CO 0.01 0.46 0.51 0.74 -2.88 0.00 0.00 179.24 178.08 3iss h THR 194 N 0.74 1.26 -0.45 2.25 2.02 -1.15 -0.99 112.91 116.58 3iss h THR 194 Ca 0.20 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 3iss h THR 194 Cb -0.08 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.33 3iss h THR 194 CO -0.04 0.28 0.09 0.00 0.37 0.00 0.00 175.52 176.22 3iss h ALA 195 N 1.31 0.59 -0.07 6.16 0.00 -0.69 -1.84 119.26 124.71 3iss h ALA 195 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3iss h ALA 195 Cb -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3iss h ALA 195 CO -0.05 0.30 -0.26 -0.91 0.00 0.00 0.00 179.25 178.32 3iss h ASN 196 N 0.60 0.12 -0.21 0.00 2.35 -0.61 -0.25 115.58 117.58 3iss h ASN 196 Ca 0.14 -0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3iss h ASN 196 Cb 0.35 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 3iss h ASN 196 CO 0.01 0.39 -0.05 0.15 -1.65 0.00 0.00 177.43 176.28 3iss h PHE 197 N 0.12 0.46 -0.60 1.19 3.57 -1.11 -2.56 116.94 118.00 3iss h PHE 197 Ca 0.02 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.45 3iss h PHE 197 Cb 0.53 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3iss h PHE 197 CO 0.00 0.65 0.35 -0.07 -2.23 0.00 0.00 178.31 177.02 3iss h LEU 198 N 0.13 0.56 -0.87 0.59 3.38 -0.76 -2.20 115.31 116.15 3iss h LEU 198 Ca 0.05 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3iss h LEU 198 Cb 0.50 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 198 CO 0.02 0.39 0.50 0.40 0.09 0.00 0.00 178.44 179.84 3iss h ILE 199 N 0.69 1.25 -0.63 1.22 2.04 -1.09 -1.07 117.51 119.92 3iss h ILE 199 Ca 0.25 -0.57 0.11 0.00 1.00 0.00 0.00 64.86 65.65 3iss h ILE 199 Cb 0.07 0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 3iss h ILE 199 CO -0.12 0.27 0.42 0.74 0.00 0.00 0.00 178.15 179.46 3iss h THR 200 N 1.20 0.86 -0.00 -0.27 2.02 -0.97 0.11 112.91 115.86 3iss h THR 200 Ca 0.31 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.36 3iss h THR 200 Cb -0.01 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3iss h THR 200 CO -0.05 0.07 -0.03 0.18 0.37 0.00 0.00 175.52 176.05 3iss n LEU 201 N -4.47 0.14 0.00 2.58 4.77 -0.71 -4.87 117.00 114.44 3iss n LEU 201 Ca 0.11 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3iss n LEU 201 Cb 0.42 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3iss n LEU 201 CO 0.34 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3iss n GLY 202 N 1.25 1.35 3.87 -0.72 0.00 0.36 -1.24 105.19 110.06 3iss n GLY 202 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3iss n GLY 202 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 203 N -2.00 3.12 -0.39 4.61 0.00 -0.49 -4.93 121.76 121.68 3iss s ALA 203 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 3iss s ALA 203 Cb 0.00 -3.05 0.11 0.00 0.00 0.00 0.00 23.12 20.18 3iss s ALA 203 CO 0.00 -0.66 0.16 0.15 0.00 0.00 0.00 175.76 175.42 3iss s LYS 204 N -5.12 1.85 -0.01 0.00 1.02 -1.25 -4.29 119.74 111.94 3iss s LYS 204 Ca 0.55 -1.85 0.04 0.00 0.02 0.00 0.00 55.97 54.72 3iss s LYS 204 Cb -0.11 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 3iss s LYS 204 CO 0.53 -1.04 -0.12 0.42 -0.92 0.00 0.00 175.35 174.22 3iss s ILE 205 N 1.05 0.99 0.01 2.17 1.01 -1.26 -0.83 121.20 124.34 3iss s ILE 205 Ca 0.09 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 205 Cb -0.22 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.41 3iss s ILE 205 CO -0.05 0.28 0.07 -0.94 0.00 0.00 0.00 174.94 174.30 3iss s SER 206 N -0.21 0.11 0.00 3.58 1.04 -0.21 -4.90 113.70 113.11 3iss s SER 206 Ca 0.03 -0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.15 3iss s SER 206 Cb -0.06 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3iss s SER 206 CO -0.00 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.50 3iss n GLY 207 N 1.58 0.58 3.65 7.32 0.00 -1.26 0.01 105.19 117.07 3iss n GLY 207 Ca -0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.33 3iss n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLN 208 N -2.00 1.83 -0.09 1.61 0.00 -1.26 -0.71 117.38 116.75 3iss n GLN 208 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 57.00 57.65 3iss n GLN 208 Cb 0.00 -2.31 0.00 0.00 0.00 0.00 0.00 30.24 27.93 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 2.47 0.80 3.77 2.61 0.00 -1.26 -4.92 105.19 108.65 3iss n GLY 209 Ca 0.14 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.88 3iss n GLY 209 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3iss s THR 210 N -2.38 1.78 -1.25 2.61 -4.23 0.11 -4.79 115.64 107.49 3iss s THR 210 Ca 0.00 -1.78 0.21 0.00 -1.18 0.00 0.00 61.69 58.94 3iss s THR 210 Cb 0.00 -2.56 0.28 0.00 1.34 0.00 0.00 72.50 71.57 3iss s THR 210 CO 0.00 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 174.84 3iss n ASP 211 N -1.33 0.00 -4.03 3.99 5.68 -1.26 -4.59 116.55 115.00 3iss n ASP 211 Ca -0.07 0.20 -0.31 0.00 -0.50 0.00 0.00 54.79 54.11 3iss n ASP 211 Cb 0.66 -0.37 -0.15 0.00 -1.14 0.00 0.00 41.12 40.11 3iss n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3iss s ARG 212 N -2.75 2.17 -0.15 0.11 3.52 -1.26 -0.72 118.95 119.88 3iss s ARG 212 Ca 0.16 -1.09 -0.02 0.00 -0.13 0.00 0.00 55.73 54.64 3iss s ARG 212 Cb 0.14 -2.67 -0.02 0.00 -1.56 0.00 0.00 34.95 30.83 3iss s ARG 212 CO 0.34 -0.49 -0.07 0.42 -0.81 0.00 0.00 175.30 174.68 3iss s ILE 213 N 1.25 3.54 -0.19 4.11 1.01 -0.78 -4.33 121.20 125.81 3iss s ILE 213 Ca -0.05 -0.48 -0.03 0.00 0.00 0.00 0.00 60.65 60.09 3iss s ILE 213 Cb -0.18 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3iss s ILE 213 CO -0.07 0.50 -0.06 -0.69 0.00 0.00 0.00 174.94 174.62 3iss s VAL 214 N 0.42 3.44 -0.15 2.92 1.01 0.10 -1.10 120.40 127.05 3iss s VAL 214 Ca -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.44 3iss s VAL 214 Cb -0.15 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 33.71 3iss s VAL 214 CO 0.04 0.46 -0.20 -0.63 0.00 0.00 0.00 175.10 174.76 3iss s ILE 215 N 1.02 2.21 -0.38 2.22 1.09 -0.08 -1.04 121.20 126.25 3iss s ILE 215 Ca 0.00 -0.92 -0.13 0.00 -1.10 0.00 0.00 60.65 58.50 3iss s ILE 215 Cb -0.15 -1.90 0.01 0.00 -1.06 0.00 0.00 42.46 39.36 3iss s ILE 215 CO 0.00 0.54 0.25 -0.70 -0.10 0.00 0.00 174.94 174.93 3iss s GLU 216 N 0.87 3.11 0.31 2.79 2.56 -0.01 -0.48 118.70 127.86 3iss s GLU 216 Ca -0.05 -0.91 -0.29 0.00 0.00 0.00 0.00 54.97 53.72 3iss s GLU 216 Cb -0.15 -3.85 -0.12 0.00 2.00 0.00 0.00 34.13 32.01 3iss s GLU 216 CO -0.03 -0.63 1.49 0.41 -0.56 0.00 0.00 175.26 175.95 3iss n GLY 217 N 5.10 1.10 3.67 -1.50 0.00 -0.10 -3.96 105.19 109.51 3iss n GLY 217 Ca -0.12 0.41 -0.30 0.00 0.00 0.00 0.00 46.02 46.01 3iss n GLY 217 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 218 N -0.45 1.34 -0.09 1.61 -7.23 -0.70 -4.67 120.40 110.21 3iss s VAL 218 Ca 0.61 -2.00 0.17 0.00 -1.81 0.00 0.00 61.98 58.94 3iss s VAL 218 Cb -0.53 -2.46 -0.25 0.00 0.56 0.00 0.00 36.38 33.70 3iss s VAL 218 CO 0.54 0.00 0.24 1.21 -0.31 0.00 0.00 175.10 176.79 3iss n GLU 219 N -1.10 0.87 -3.51 4.82 2.13 -1.26 -4.21 120.64 118.37 3iss n GLU 219 Ca -0.13 -0.09 -0.17 0.00 0.66 0.00 0.00 57.16 57.43 3iss n GLU 219 Cb 0.67 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.89 3iss n GLU 219 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 3iss s ARG 220 N -2.87 1.06 0.06 5.31 1.70 -1.26 -5.02 118.95 117.92 3iss s ARG 220 Ca -0.07 0.17 0.05 0.00 -0.47 0.00 0.00 55.73 55.41 3iss s ARG 220 Cb 0.09 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3iss s ARG 220 CO 0.73 -0.35 -0.07 -0.51 -1.08 0.00 0.00 175.30 174.01 3iss s LEU 221 N -1.36 3.15 0.00 -1.89 1.43 -1.26 -4.98 118.68 113.76 3iss s LEU 221 Ca -0.09 -0.25 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3iss s LEU 221 Cb -0.00 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3iss s LEU 221 CO 0.07 0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.49 3iss n GLY 222 N 1.08 1.59 0.00 -3.19 0.00 -0.38 -1.36 105.19 102.93 3iss n GLY 222 Ca -0.14 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 5.29 0.00 -0.02 0.00 -1.26 -3.20 105.19 111.00 3iss n GLY 223 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 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 2.86 -0.29 3.11 -0.02 0.00 -0.99 -4.56 105.19 105.30 3iss n GLY 224 Ca 0.00 -1.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 3iss n GLY 224 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 225 N -2.64 1.39 -0.07 1.61 1.01 -1.26 -0.96 120.40 119.48 3iss s VAL 225 Ca 0.00 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 3iss s VAL 225 Cb 0.00 -1.21 0.03 0.00 0.00 0.00 0.00 36.38 35.20 3iss s VAL 225 CO 0.00 0.41 0.18 -0.47 0.00 0.00 0.00 175.10 175.21 3iss s TYR 226 N 0.18 -0.21 -0.21 5.22 5.04 -0.71 -5.01 117.35 121.65 3iss s TYR 226 Ca -0.07 0.53 -0.09 0.00 -2.44 0.00 0.00 57.07 55.00 3iss s TYR 226 Cb -0.13 0.02 -0.05 0.00 0.35 0.00 0.00 41.96 42.16 3iss s TYR 226 CO 0.03 -0.14 0.12 0.50 -1.34 0.00 0.00 175.55 174.72 3iss s ARG 227 N 0.58 4.05 0.27 4.97 3.52 -1.26 -0.33 118.95 130.75 3iss s ARG 227 Ca -0.04 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 3iss s ARG 227 Cb -0.05 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 3iss s ARG 227 CO -0.03 0.17 1.10 0.08 -0.81 0.00 0.00 175.30 175.81 3iss s VAL 228 N 0.70 3.52 0.99 7.11 1.01 -0.81 -4.95 120.40 127.98 3iss s VAL 228 Ca 0.06 1.52 -0.12 0.00 0.00 0.00 0.00 61.98 63.44 3iss s VAL 228 Cb -0.13 -3.97 0.18 0.00 0.00 0.00 0.00 36.38 32.47 3iss s VAL 228 CO 0.01 0.35 1.08 -1.48 0.00 0.00 0.00 175.10 175.07 3iss s LEU 229 N -1.35 1.77 0.58 3.92 2.34 -1.26 -4.70 118.68 119.97 3iss s LEU 229 Ca 0.45 1.45 -0.18 0.00 0.06 0.00 0.00 54.13 55.90 3iss s LEU 229 Cb -0.32 -3.68 -0.04 0.00 -0.56 0.00 0.00 46.19 41.60 3iss s LEU 229 CO 0.40 -3.19 1.13 -2.84 -1.06 0.00 0.00 176.35 170.80 3iss s PRO 230 N -4.82 3.18 -0.52 1.48 0.02 -1.26 -0.50 135.00 132.58 3iss s PRO 230 Ca 0.65 1.58 -0.29 0.00 0.02 0.00 0.00 61.00 62.97 3iss s PRO 230 Cb -0.20 -1.98 0.03 0.00 0.02 0.00 0.00 34.50 32.36 3iss s PRO 230 CO 0.59 -0.98 1.20 0.34 -0.33 0.00 0.00 177.00 177.82 3iss s ASP 231 N -1.95 6.51 0.40 2.53 -1.08 -0.65 -4.28 116.67 118.15 3iss s ASP 231 Ca 0.72 0.34 0.16 0.00 -0.52 0.00 0.00 52.55 53.25 3iss s ASP 231 Cb -0.24 -2.55 0.86 0.00 -1.46 0.00 0.00 42.92 39.53 3iss s ASP 231 CO 0.31 -1.38 1.87 0.08 0.52 0.00 0.00 175.17 176.56 3iss h ARG 232 N 9.57 0.00 -0.14 4.34 0.11 -1.93 -1.81 114.38 124.53 3iss h ARG 232 Ca -0.24 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.69 3iss h ARG 232 Cb 1.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 3iss h ARG 232 CO 1.15 0.32 -0.47 0.82 0.10 0.00 0.00 179.97 181.89 3iss h ILE 233 N 0.00 1.35 -0.50 0.08 1.08 -1.96 -0.26 117.51 117.30 3iss h ILE 233 Ca -0.00 -1.75 -0.01 0.00 -0.39 0.00 0.00 64.86 62.71 3iss h ILE 233 Cb 0.62 2.06 -0.02 0.00 -3.07 0.00 0.00 36.82 36.40 3iss h ILE 233 CO 0.04 0.53 0.29 -0.08 -0.69 0.00 0.00 178.15 178.25 3iss h GLU 234 N 0.20 0.69 -0.38 2.37 4.81 -1.92 -0.60 114.58 119.74 3iss h GLU 234 Ca -0.02 -0.07 0.07 0.00 -0.13 0.00 0.00 59.36 59.21 3iss h GLU 234 Cb 1.10 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 30.28 3iss h GLU 234 CO 0.10 0.51 0.02 1.15 -0.73 0.00 0.00 179.01 180.06 3iss h THR 235 N 0.67 0.74 -0.60 0.32 2.02 -1.27 -2.04 112.91 112.74 3iss h THR 235 Ca 0.18 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.27 3iss h THR 235 Cb 0.01 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3iss h THR 235 CO -0.03 0.02 0.21 1.23 0.37 0.00 0.00 175.52 177.32 3iss h GLY 236 N 0.13 0.96 1.18 2.16 0.00 -0.72 -2.08 103.07 104.71 3iss h GLY 236 Ca 0.19 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.94 3iss h GLY 236 CO -0.29 0.49 0.16 -0.84 0.00 0.00 0.00 176.54 176.05 3iss h THR 237 N 0.88 1.25 0.15 4.70 2.02 -0.44 -0.70 112.91 120.77 3iss h THR 237 Ca 0.20 -0.91 -0.30 0.00 0.77 0.00 0.00 66.41 66.17 3iss h THR 237 Cb 0.22 0.58 0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3iss h THR 237 CO -0.01 0.35 -1.29 -0.26 0.37 0.00 0.00 175.52 174.67 3iss h PHE 238 N 0.97 0.87 -0.94 3.16 0.04 -1.21 -1.05 116.94 118.77 3iss h PHE 238 Ca 0.21 -0.58 0.06 0.00 2.80 0.00 0.00 57.97 60.46 3iss h PHE 238 Cb 0.34 -0.06 -0.06 0.00 2.20 0.00 0.00 35.95 38.37 3iss h PHE 238 CO 0.02 1.43 0.60 -0.07 -0.60 0.00 0.00 178.31 179.70 3iss h LEU 239 N 0.19 0.96 -0.50 1.54 3.38 -1.25 -1.57 115.31 118.06 3iss h LEU 239 Ca -0.19 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3iss h LEU 239 Cb 1.97 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 42.51 3iss h LEU 239 CO 0.24 0.62 -0.08 0.58 0.09 0.00 0.00 178.44 179.88 3iss h VAL 240 N 1.10 1.27 -0.73 1.22 2.07 -1.05 -2.23 116.25 117.90 3iss h VAL 240 Ca 0.41 -1.21 0.13 0.00 0.82 0.00 0.00 66.70 66.84 3iss h VAL 240 Cb 0.16 1.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.86 3iss h VAL 240 CO -0.17 0.42 0.30 0.00 0.02 0.00 0.00 177.57 178.15 3iss h ALA 241 N 0.91 1.01 -0.08 1.67 0.00 -0.46 -1.39 119.26 120.91 3iss h ALA 241 Ca 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3iss h ALA 241 Cb 0.63 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3iss h ALA 241 CO 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 179.25 179.11 3iss h ALA 242 N 1.51 0.11 0.00 0.00 0.00 -1.20 -2.96 119.26 116.72 3iss h ALA 242 Ca 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3iss h ALA 242 Cb 0.55 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3iss h ALA 242 CO -0.37 -0.21 -0.05 0.00 0.00 0.00 0.00 179.25 178.62 3iss h ALA 243 N 0.73 1.87 0.00 0.00 0.00 -0.74 -0.92 119.26 120.20 3iss h ALA 243 Ca 0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 3iss h ALA 243 Cb 0.35 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3iss h ALA 243 CO 0.00 0.07 -1.10 -0.84 0.00 0.00 0.00 179.25 177.39 3iss h ILE 244 N 0.00 0.40 -0.41 0.00 3.07 -1.30 -3.32 117.51 115.94 3iss h ILE 244 Ca -0.00 -1.71 0.00 0.00 1.55 0.00 0.00 64.86 64.70 3iss h ILE 244 Cb 0.10 1.95 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3iss h ILE 244 CO 0.01 0.23 0.00 -1.54 -1.05 0.00 0.00 178.15 175.79 3iss n SER 245 N -2.89 2.91 -2.93 2.16 3.41 -0.91 -4.92 113.62 110.44 3iss n SER 245 Ca -0.05 -1.93 -0.21 0.00 -0.26 0.00 0.00 58.87 56.42 3iss n SER 245 Cb 0.73 -0.27 0.04 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.11 -5.26 0.00 4.33 1.74 -0.95 -4.52 116.66 113.11 3iss n ARG 246 Ca 0.19 0.82 0.00 0.00 -0.77 0.00 0.00 57.85 58.09 3iss n ARG 246 Cb 0.50 -5.57 0.00 0.00 -1.02 0.00 0.00 32.46 26.37 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 -1.58 3.26 3.36 -0.13 0.00 -0.40 -4.07 105.19 105.64 3iss n GLY 247 Ca -0.08 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.83 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 2.84 0.62 -0.03 1.61 -2.85 -1.22 -2.28 119.74 118.43 3iss s LYS 248 Ca 0.00 0.46 -0.15 0.00 -1.00 0.00 0.00 55.97 55.28 3iss s LYS 248 Cb 0.00 0.29 0.03 0.00 -2.06 0.00 0.00 37.83 36.09 3iss s LYS 248 CO 0.00 -0.11 0.32 -1.50 0.10 0.00 0.00 175.35 174.16 3iss s ILE 249 N -0.18 0.05 -0.09 3.79 2.07 -0.25 -1.47 121.20 125.12 3iss s ILE 249 Ca -0.04 -0.40 0.04 0.00 -1.41 0.00 0.00 60.65 58.84 3iss s ILE 249 Cb -0.03 -0.60 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 3iss s ILE 249 CO 0.02 -0.22 -0.22 -0.63 -1.91 0.00 0.00 174.94 171.98 3iss s ILE 250 N -1.12 2.28 -0.22 2.00 -1.09 -0.75 -1.23 121.20 121.07 3iss s ILE 250 Ca -0.12 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.28 3iss s ILE 250 Cb -0.05 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 3iss s ILE 250 CO 0.04 0.56 0.06 0.00 -1.23 0.00 0.00 174.94 174.36 3iss s ARG 252 N 1.22 3.09 -0.84 0.00 1.81 0.73 -1.89 118.95 123.07 3iss s ARG 252 Ca 0.04 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.44 3iss s ARG 252 Cb -0.14 -2.85 0.00 0.00 -0.45 0.00 0.00 34.95 31.51 3iss s ARG 252 CO 0.03 0.59 0.72 0.09 -0.68 0.00 0.00 175.30 176.05 3iss n ASN 253 N 0.47 -3.49 -4.86 0.23 4.13 -0.68 -0.57 115.26 110.49 3iss n ASN 253 Ca -0.08 -0.38 -0.21 0.00 1.68 0.00 0.00 54.58 55.60 3iss n ASN 253 Cb 0.51 -3.49 -0.03 0.00 -1.54 0.00 0.00 39.78 35.23 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iss s ALA 254 N -3.22 3.90 -0.46 5.41 0.00 -0.23 -4.48 121.76 122.68 3iss s ALA 254 Ca 0.20 -1.69 0.03 0.00 0.00 0.00 0.00 51.96 50.49 3iss s ALA 254 Cb -0.09 -1.16 0.15 0.00 0.00 0.00 0.00 23.12 22.02 3iss s ALA 254 CO 0.48 -0.04 0.29 -1.14 0.00 0.00 0.00 175.76 175.35 3iss s GLN 255 N -4.03 1.26 0.38 0.00 0.74 -1.26 -4.25 119.66 112.50 3iss s GLN 255 Ca 0.43 -2.10 0.12 0.00 0.05 0.00 0.00 55.36 53.85 3iss s GLN 255 Cb -0.05 -2.14 0.92 0.00 1.10 0.00 0.00 33.01 32.84 3iss s GLN 255 CO 0.27 -1.23 1.86 -1.35 -0.55 0.00 0.00 175.29 174.28 3iss h PRO 256 N 6.37 0.56 0.00 1.67 0.11 -1.88 -1.67 132.00 137.16 3iss h PRO 256 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iss h PRO 256 Cb 0.91 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3iss h PRO 256 CO 0.46 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 3iss n ASP 257 N -4.56 0.00 0.02 -2.05 5.68 -1.26 -1.19 116.55 113.18 3iss n ASP 257 Ca 0.19 0.20 0.11 0.00 -0.50 0.00 0.00 54.79 54.79 3iss n ASP 257 Cb 0.57 -0.25 0.10 0.00 -1.14 0.00 0.00 41.12 40.41 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 -1.25 0.09 -1.69 2.12 -1.04 -0.63 -4.39 114.28 107.50 3iss n THR 258 Ca 0.01 -0.11 0.06 0.00 -2.04 0.00 0.00 64.05 61.97 3iss n THR 258 Cb 0.02 0.32 0.12 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.72 1.81 -0.07 -4.42 4.77 -0.34 -4.90 117.00 112.13 3iss n LEU 259 Ca 0.04 -2.81 -0.12 0.00 -0.03 0.00 0.00 56.01 53.09 3iss n LEU 259 Cb 0.38 -0.31 -0.07 0.00 -2.33 0.00 0.00 43.42 41.09 3iss n LEU 259 CO 0.38 0.83 0.55 0.44 -1.33 0.00 0.00 177.39 178.27 3iss h ASP 260 N 0.54 -1.53 -0.55 -1.43 3.32 -1.77 -1.12 116.42 113.89 3iss h ASP 260 Ca -0.05 0.21 0.06 0.00 0.02 0.00 0.00 57.03 57.27 3iss h ASP 260 Cb 1.25 0.63 -0.05 0.00 0.22 0.00 0.00 39.33 41.37 3iss h ASP 260 CO 0.02 -0.41 0.25 0.00 -1.72 0.00 0.00 179.24 177.38 3iss h ALA 261 N 0.13 0.71 -0.67 3.45 0.00 -1.90 -1.30 119.26 119.69 3iss h ALA 261 Ca 0.09 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3iss h ALA 261 Cb 0.62 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3iss h ALA 261 CO -0.50 -0.12 0.33 0.28 0.00 0.00 0.00 179.25 179.24 3iss h VAL 262 N 0.48 1.22 -0.36 0.00 2.07 -1.80 -2.07 116.25 115.79 3iss h VAL 262 Ca 0.26 -0.60 -0.16 0.00 0.82 0.00 0.00 66.70 67.02 3iss h VAL 262 Cb 0.22 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3iss h VAL 262 CO -0.21 0.25 -0.40 -0.07 0.02 0.00 0.00 177.57 177.16 3iss h LEU 263 N 0.92 0.98 -0.82 2.57 3.38 -0.82 -1.59 115.31 119.93 3iss h LEU 263 Ca 0.23 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3iss h LEU 263 Cb 0.10 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3iss h LEU 263 CO -0.03 1.26 0.53 0.00 0.09 0.00 0.00 178.44 180.29 3iss h ALA 264 N 0.75 1.07 -0.50 1.53 0.00 -1.16 -1.52 119.26 119.44 3iss h ALA 264 Ca 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 3iss h ALA 264 Cb 1.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 3iss h ALA 264 CO 0.10 0.37 -0.11 -0.22 0.00 0.00 0.00 179.25 179.39 3iss h LYS 265 N 1.04 0.92 -0.62 0.00 1.63 -1.09 -1.99 116.57 116.45 3iss h LYS 265 Ca 0.32 -0.32 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 3iss h LYS 265 Cb -0.01 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.52 3iss h LYS 265 CO -0.11 0.98 0.23 -0.07 -3.45 0.00 0.00 179.45 177.03 3iss h LEU 266 N 0.82 0.87 -0.64 5.20 3.38 -0.89 -1.85 115.31 122.20 3iss h LEU 266 Ca 0.13 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3iss h LEU 266 Cb 0.64 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 3iss h LEU 266 CO 0.04 0.81 0.37 0.03 0.09 0.00 0.00 178.44 179.78 3iss h ARG 267 N 0.87 0.68 0.00 1.13 3.08 -1.03 -0.95 114.38 118.16 3iss h ARG 267 Ca 0.20 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 3iss h ARG 267 Cb 0.23 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3iss h ARG 267 CO -0.01 0.45 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.86 3iss h ASP 268 N 0.70 0.00 0.43 7.04 3.32 -0.94 0.19 116.42 127.16 3iss h ASP 268 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3iss h ASP 268 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3iss h ASP 268 CO -0.15 0.03 -0.12 0.00 -1.72 0.00 0.00 179.24 177.28 3iss n ALA 269 N -2.28 2.76 0.00 3.45 0.00 -0.41 -4.72 120.51 119.31 3iss n ALA 269 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.16 3iss n ALA 269 Cb 0.12 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.23 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 1.04 3.57 0.00 0.00 0.67 0.42 105.19 112.20 3iss n GLY 270 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 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 2.94 -0.25 4.61 0.00 -1.05 -4.88 121.76 121.12 3iss s ALA 271 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 3iss s ALA 271 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.13 3iss s ALA 271 CO 0.00 0.63 0.32 0.34 0.00 0.00 0.00 175.76 177.05 3iss s ASP 272 N -1.89 6.25 -0.05 0.00 -1.08 -1.04 -4.42 116.67 114.44 3iss s ASP 272 Ca 0.19 0.28 0.04 0.00 -0.52 0.00 0.00 52.55 52.55 3iss s ASP 272 Cb -0.11 -2.19 -0.00 0.00 -1.46 0.00 0.00 42.92 39.16 3iss s ASP 272 CO 0.11 -0.10 -0.16 -0.63 0.52 0.00 0.00 175.17 174.91 3iss s ILE 273 N 1.66 1.36 0.09 4.11 1.01 -1.26 -2.22 121.20 125.95 3iss s ILE 273 Ca 0.14 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.18 3iss s ILE 273 Cb -0.15 -1.18 -0.03 0.00 0.01 0.00 0.00 42.46 41.11 3iss s ILE 273 CO 0.09 0.40 -0.17 -1.61 0.00 0.00 0.00 174.94 173.64 3iss s GLU 274 N 0.13 0.96 -0.02 2.79 2.02 -0.45 -4.98 118.70 119.15 3iss s GLU 274 Ca -0.05 -1.06 0.05 0.00 0.02 0.00 0.00 54.97 53.92 3iss s GLU 274 Cb -0.12 -1.08 -0.01 0.00 0.10 0.00 0.00 34.13 33.02 3iss s GLU 274 CO 0.02 0.24 -0.16 0.14 0.02 0.00 0.00 175.26 175.53 3iss s VAL 275 N -1.27 1.29 0.00 2.63 -7.23 -1.26 0.18 120.40 114.74 3iss s VAL 275 Ca 0.02 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.51 3iss s VAL 275 Cb -0.10 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.76 3iss s VAL 275 CO 0.03 0.37 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 3iss n GLY 276 N 2.82 2.41 0.15 2.32 0.00 -0.15 -4.99 105.19 107.75 3iss n GLY 276 Ca -0.16 -1.98 0.09 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 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 0.11 -0.68 -0.40 -0.73 0.00 0.00 179.01 177.32 3iss n ASP 278 N -2.94 0.24 -3.88 1.04 5.75 -1.26 -4.72 116.55 110.79 3iss n ASP 278 Ca 0.00 -1.92 -0.10 0.00 -0.01 0.00 0.00 54.79 52.77 3iss n ASP 278 Cb 0.61 -0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.51 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 0.14 -0.02 2.11 1.48 -1.26 -1.07 118.94 120.32 3iss s TRP 279 Ca 0.17 -0.46 0.03 0.00 -1.06 0.00 0.00 56.10 54.78 3iss s TRP 279 Cb 0.20 -0.08 -0.00 0.00 -1.16 0.00 0.00 33.47 32.43 3iss s TRP 279 CO -0.09 -0.45 -0.09 0.42 -4.06 0.00 0.00 176.95 172.69 3iss s ILE 280 N -3.04 0.74 0.05 0.66 1.01 -0.79 -0.98 121.20 118.86 3iss s ILE 280 Ca -0.01 -0.36 0.09 0.00 0.00 0.00 0.00 60.65 60.37 3iss s ILE 280 Cb 0.01 -0.65 -0.03 0.00 0.01 0.00 0.00 42.46 41.80 3iss s ILE 280 CO -0.06 0.23 -0.24 -0.94 0.00 0.00 0.00 174.94 173.92 3iss s SER 281 N 0.06 3.34 -0.02 3.58 1.04 0.13 -0.21 113.70 121.61 3iss s SER 281 Ca -0.01 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3iss s SER 281 Cb -0.07 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.72 3iss s SER 281 CO 0.00 0.25 0.02 -0.22 0.98 0.00 0.00 173.24 174.27 3iss s LEU 282 N -1.38 1.12 -0.06 2.42 0.20 -0.36 -1.34 118.68 119.28 3iss s LEU 282 Ca 0.13 0.03 0.02 0.00 0.69 0.00 0.00 54.13 54.99 3iss s LEU 282 Cb -0.10 -0.10 0.02 0.00 -0.43 0.00 0.00 46.19 45.58 3iss s LEU 282 CO 0.03 -0.12 -0.10 -0.62 -0.29 0.00 0.00 176.35 175.26 3iss s ASP 283 N 1.03 1.54 0.05 3.68 -1.08 -0.94 -1.09 116.67 119.86 3iss s ASP 283 Ca -0.09 -0.25 0.24 0.00 -0.52 0.00 0.00 52.55 51.93 3iss s ASP 283 Cb -0.13 -0.71 0.26 0.00 -1.46 0.00 0.00 42.92 40.88 3iss s ASP 283 CO -0.03 -0.00 1.22 0.23 0.52 0.00 0.00 175.17 177.12 3iss n MET 284 N 3.94 0.18 -3.86 4.34 2.81 -0.97 -2.49 117.12 121.06 3iss n MET 284 Ca -0.23 0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.41 3iss n MET 284 Cb 0.51 -1.58 0.02 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.82 -2.03 -0.79 2.03 8.25 -1.26 -1.39 115.22 118.20 3iss n HIS 285 Ca 0.04 0.85 0.00 0.00 -0.26 0.00 0.00 57.72 58.35 3iss n HIS 285 Cb 0.40 -4.03 0.00 0.00 1.12 0.00 0.00 29.99 27.48 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 -1.67 0.48 3.84 -1.41 0.00 -1.26 -4.97 105.19 100.19 3iss n GLY 286 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.55 4.09 0.13 1.61 -0.14 -0.49 -4.97 119.74 119.42 3iss s LYS 287 Ca 0.00 0.92 -0.26 0.00 -1.36 0.00 0.00 55.97 55.27 3iss s LYS 287 Cb 0.00 -2.26 -0.07 0.00 -1.68 0.00 0.00 37.83 33.82 3iss s LYS 287 CO 0.00 -0.02 0.79 0.50 -0.76 0.00 0.00 175.35 175.86 3iss s ARG 288 N -3.33 4.57 0.62 1.68 3.52 -1.26 -4.51 118.95 120.24 3iss s ARG 288 Ca 0.59 1.17 -0.18 0.00 -0.13 0.00 0.00 55.73 57.17 3iss s ARG 288 Cb -0.10 -3.30 -0.02 0.00 -1.56 0.00 0.00 34.95 29.97 3iss s ARG 288 CO 0.19 0.47 1.20 -1.25 -0.81 0.00 0.00 175.30 175.10 3iss s PRO 289 N -0.78 2.84 0.02 5.12 0.04 -1.26 -4.82 135.00 136.16 3iss s PRO 289 Ca 0.37 1.80 -0.14 0.00 0.04 0.00 0.00 61.00 63.07 3iss s PRO 289 Cb -0.23 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.34 3iss s PRO 289 CO 0.26 -1.30 0.41 0.15 0.04 0.00 0.00 177.00 176.57 3iss s LYS 290 N -3.45 3.89 0.42 4.56 -0.14 0.17 -1.01 119.74 124.17 3iss s LYS 290 Ca 0.76 0.38 -0.25 0.00 -1.36 0.00 0.00 55.97 55.50 3iss s LYS 290 Cb -0.30 -3.17 -0.10 0.00 -1.68 0.00 0.00 37.83 32.59 3iss s LYS 290 CO 0.35 0.66 1.19 0.00 -0.76 0.00 0.00 175.35 176.80 3iss n ALA 291 N 1.60 0.96 -2.33 5.17 0.00 -0.74 -4.34 120.51 120.82 3iss n ALA 291 Ca -0.12 0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.40 3iss n ALA 291 Cb 0.52 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.66 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 -1.22 1.15 -0.14 0.00 -7.23 -1.26 -4.85 120.40 106.85 3iss s VAL 292 Ca 0.62 -2.05 -0.00 0.00 -1.81 0.00 0.00 61.98 58.73 3iss s VAL 292 Cb -0.52 -2.28 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 3iss s VAL 292 CO 0.57 -0.39 -0.13 0.20 -0.31 0.00 0.00 175.10 175.05 3iss s ASN 293 N -3.30 3.95 0.04 4.85 0.02 -1.26 -3.40 114.94 115.84 3iss s ASN 293 Ca 0.27 -0.36 0.06 0.00 -1.02 0.00 0.00 52.86 51.80 3iss s ASN 293 Cb 0.05 -1.61 -0.02 0.00 0.02 0.00 0.00 41.25 39.69 3iss s ASN 293 CO 0.08 0.13 -0.16 -0.69 0.02 0.00 0.00 177.10 176.48 3iss s VAL 294 N 0.53 1.29 -0.18 1.60 1.01 -0.05 -4.99 120.40 119.62 3iss s VAL 294 Ca -0.09 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.81 3iss s VAL 294 Cb -0.16 -1.16 0.05 0.00 0.00 0.00 0.00 36.38 35.11 3iss s VAL 294 CO 0.04 0.06 -0.04 -0.60 0.00 0.00 0.00 175.10 174.57 3iss s ARG 295 N -1.17 1.30 0.50 2.72 3.52 -1.26 -0.18 118.95 124.38 3iss s ARG 295 Ca 0.03 -0.57 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 3iss s ARG 295 Cb -0.08 -2.10 -0.07 0.00 -1.56 0.00 0.00 34.95 31.14 3iss s ARG 295 CO 0.01 -0.50 1.16 0.95 -0.81 0.00 0.00 175.30 176.12 3iss s THR 296 N 1.64 3.06 0.12 4.11 -4.23 -0.23 -4.38 115.64 115.72 3iss s THR 296 Ca -0.01 0.74 -0.26 0.00 -1.18 0.00 0.00 61.69 60.99 3iss s THR 296 Cb -0.16 -3.35 0.08 0.00 1.34 0.00 0.00 72.50 70.41 3iss s THR 296 CO -0.07 -0.06 1.05 0.00 -0.54 0.00 0.00 174.62 174.99 3iss s ALA 297 N -1.61 -1.78 0.76 3.99 0.00 -0.28 -3.54 121.76 119.30 3iss s ALA 297 Ca 0.68 0.15 -0.14 0.00 0.00 0.00 0.00 51.96 52.65 3iss s ALA 297 Cb -0.28 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.51 3iss s ALA 297 CO 0.32 -1.05 1.17 -2.14 0.00 0.00 0.00 175.76 174.06 3iss s PRO 298 N -2.87 2.03 0.40 0.00 0.02 -1.26 -4.38 135.00 128.95 3iss s PRO 298 Ca 0.15 1.62 -0.25 0.00 0.02 0.00 0.00 61.00 62.54 3iss s PRO 298 Cb -0.00 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.57 3iss s PRO 298 CO 0.02 -1.88 1.00 1.58 -0.33 0.00 0.00 177.00 177.38 3iss n HIS 299 N -3.02 1.14 -0.54 6.54 -0.00 -1.26 -1.85 115.22 116.23 3iss n HIS 299 Ca 0.12 0.58 -0.06 0.00 0.46 0.00 0.00 57.72 58.83 3iss n HIS 299 Cb 0.51 -2.23 0.22 0.00 -0.12 0.00 0.00 29.99 28.38 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 0.27 2.96 -1.50 1.57 -0.04 -1.26 -4.53 135.00 132.47 3iss n PRO 300 Ca 0.09 -2.31 -0.29 0.00 -0.04 0.00 0.00 63.50 60.95 3iss n PRO 300 Cb 0.38 -1.98 0.18 0.00 -0.04 0.00 0.00 33.50 32.04 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 -2.39 1.54 0.16 0.55 0.00 -0.77 -4.38 121.76 116.47 3iss s ALA 301 Ca 0.42 -0.84 -0.34 0.00 0.00 0.00 0.00 51.96 51.21 3iss s ALA 301 Cb 0.34 -2.92 -0.14 0.00 0.00 0.00 0.00 23.12 20.40 3iss s ALA 301 CO 0.10 -2.73 1.61 0.34 0.00 0.00 0.00 175.76 175.08 3iss n PHE 302 N -4.07 2.35 -2.96 0.00 -0.00 -1.26 -4.76 117.46 106.76 3iss n PHE 302 Ca 0.11 0.22 -0.40 0.00 -0.00 0.00 0.00 57.45 57.39 3iss n PHE 302 Cb 0.59 -2.57 -0.06 0.00 -0.00 0.00 0.00 39.48 37.45 3iss n PHE 302 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3iss s PRO 303 N 1.05 4.57 0.43 -7.13 0.05 -1.26 -1.13 135.00 131.58 3iss s PRO 303 Ca 0.79 1.17 0.12 0.00 0.05 0.00 0.00 61.00 63.12 3iss s PRO 303 Cb -0.65 -3.30 0.98 0.00 0.05 0.00 0.00 34.50 31.59 3iss s PRO 303 CO 0.37 0.47 2.01 0.00 0.05 0.00 0.00 177.00 179.91 3iss h THR 304 N 3.56 0.96 0.00 1.26 1.03 -1.93 -1.71 112.91 116.09 3iss h THR 304 Ca -0.46 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 65.79 3iss h THR 304 Cb 1.21 0.49 0.00 0.00 -1.07 0.00 0.00 68.15 68.77 3iss h THR 304 CO 0.68 0.08 0.00 0.47 -0.01 0.00 0.00 175.52 176.74 3iss n ASP 305 N -4.47 0.00 -0.37 0.00 8.00 -1.26 -1.24 116.55 117.21 3iss n ASP 305 Ca 0.07 0.37 0.05 0.00 0.71 0.00 0.00 54.79 55.99 3iss n ASP 305 Cb 0.26 -0.41 0.03 0.00 -0.02 0.00 0.00 41.12 40.98 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 -1.41 0.92 -0.13 -1.24 2.81 -0.65 -4.76 117.12 112.66 3iss n MET 306 Ca 0.03 -0.99 -0.08 0.00 -1.81 0.00 0.00 57.70 54.84 3iss n MET 306 Cb 0.08 -1.17 -0.00 0.00 -0.71 0.00 0.00 33.22 31.42 3iss n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3iss h GLN 307 N 1.83 0.55 -0.56 0.03 -0.00 -1.18 -2.46 115.11 113.33 3iss h GLN 307 Ca 0.00 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 3iss h GLN 307 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.76 3iss h GLN 307 CO 0.00 0.42 0.10 0.00 0.00 0.00 0.00 178.83 179.35 3iss h ALA 308 N 1.10 0.75 -0.61 3.38 0.00 -1.86 -0.79 119.26 121.23 3iss h ALA 308 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iss h ALA 308 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3iss h ALA 308 CO -0.03 0.49 0.39 1.96 0.00 0.00 0.00 179.25 182.07 3iss h GLN 309 N 0.83 0.81 0.00 0.00 7.50 -1.82 -1.28 115.11 121.15 3iss h GLN 309 Ca 0.17 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.22 3iss h GLN 309 Cb 0.40 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 3iss h GLN 309 CO 0.01 0.55 -0.24 0.74 -1.50 0.00 0.00 178.83 178.39 3iss h PHE 310 N 0.83 0.00 -0.49 2.96 -1.00 -1.25 -1.68 116.94 116.31 3iss h PHE 310 Ca 0.22 0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.95 3iss h PHE 310 Cb -0.07 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.47 3iss h PHE 310 CO -0.03 0.24 0.11 1.15 -1.61 0.00 0.00 178.31 178.17 3iss h THR 311 N 0.00 1.24 0.11 -1.55 2.02 -0.36 -1.59 112.91 112.79 3iss h THR 311 Ca -0.00 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.31 3iss h THR 311 Cb 0.82 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3iss h THR 311 CO 0.03 0.31 -0.05 0.25 0.37 0.00 0.00 175.52 176.42 3iss h LEU 312 N 0.66 -0.13 -0.45 2.58 5.85 -0.82 -1.34 115.31 121.67 3iss h LEU 312 Ca 0.15 -0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.89 3iss h LEU 312 Cb 0.34 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 41.31 3iss h LEU 312 CO 0.00 -0.03 -0.40 0.25 -0.34 0.00 0.00 178.44 177.93 3iss h LEU 313 N -0.22 -1.33 -1.73 2.25 6.46 -1.23 0.15 115.31 119.66 3iss h LEU 313 Ca -0.02 0.22 0.13 0.00 -0.12 0.00 0.00 57.88 58.09 3iss h LEU 313 Cb 0.18 0.60 -0.03 0.00 -0.73 0.00 0.00 40.66 40.67 3iss h LEU 313 CO 0.03 -0.35 0.42 0.78 -0.62 0.00 0.00 178.44 178.69 3iss h ASN 314 N -0.28 0.26 1.30 1.25 2.35 -1.08 -1.83 115.58 117.54 3iss h ASN 314 Ca 0.16 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 3iss h ASN 314 Cb 0.57 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3iss h ASN 314 CO -0.60 0.15 0.00 -0.07 -1.65 0.00 0.00 177.43 175.26 3iss h LEU 315 N 0.28 0.00 -3.03 1.61 3.38 0.46 -2.67 115.31 115.35 3iss h LEU 315 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3iss h LEU 315 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3iss h LEU 315 CO -0.07 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.79 3iss n VAL 316 N -2.82 1.57 -2.79 1.22 0.24 -0.79 -0.62 118.33 114.34 3iss n VAL 316 Ca 0.03 -1.64 -0.20 0.00 -2.04 0.00 0.00 64.34 60.48 3iss n VAL 316 Cb 0.37 0.08 0.05 0.00 -1.47 0.00 0.00 33.84 32.88 3iss n VAL 316 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iss s ALA 317 N -2.04 4.17 -0.41 2.33 0.00 -0.76 -4.70 121.76 120.35 3iss s ALA 317 Ca 0.23 -1.67 -0.25 0.00 0.00 0.00 0.00 51.96 50.28 3iss s ALA 317 Cb 0.18 -1.83 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3iss s ALA 317 CO 0.05 -0.83 0.86 -2.00 0.00 0.00 0.00 175.76 173.85 3iss s GLU 318 N -4.73 3.65 0.00 0.00 2.12 -0.18 -4.00 118.70 115.56 3iss s GLU 318 Ca 0.60 0.27 0.00 0.00 0.36 0.00 0.00 54.97 56.20 3iss s GLU 318 Cb -0.08 -3.86 0.00 0.00 0.26 0.00 0.00 34.13 30.44 3iss s GLU 318 CO 0.39 -1.03 0.00 0.41 -0.54 0.00 0.00 175.26 174.48 3iss n GLY 319 N 4.69 -1.07 3.39 -1.50 0.00 -1.26 -1.79 105.19 107.64 3iss n GLY 319 Ca 0.05 -2.12 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 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 3.02 0.04 2.61 2.01 -1.26 -1.63 115.64 120.43 3iss s THR 320 Ca 0.00 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.33 3iss s THR 320 Cb 0.00 -2.24 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3iss s THR 320 CO 0.00 0.54 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.57 3iss s GLY 321 N 0.08 0.48 0.16 4.40 0.00 -0.75 -4.72 107.32 106.97 3iss s GLY 321 Ca -0.06 -0.70 0.09 0.00 0.00 0.00 0.00 44.72 44.05 3iss s GLY 321 CO 0.05 -0.75 -0.11 -0.11 0.00 0.00 0.00 173.10 172.17 3iss s PHE 322 N -1.24 2.62 -0.16 1.90 -0.71 -1.22 -0.80 117.98 118.37 3iss s PHE 322 Ca -0.09 -0.23 0.00 0.00 -1.04 0.00 0.00 56.93 55.58 3iss s PHE 322 Cb -0.09 -1.31 0.03 0.00 -1.21 0.00 0.00 43.02 40.45 3iss s PHE 322 CO 0.00 0.48 -0.09 0.42 -1.34 0.00 0.00 175.22 174.70 3iss s ILE 323 N -1.56 1.31 -0.15 -4.49 1.01 -0.67 -0.87 121.20 115.79 3iss s ILE 323 Ca 0.23 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 3iss s ILE 323 Cb -0.09 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.97 3iss s ILE 323 CO 0.14 0.26 0.02 -0.89 0.00 0.00 0.00 174.94 174.47 3iss s THR 324 N 1.56 4.45 -0.24 2.92 2.01 0.75 -1.27 115.64 125.82 3iss s THR 324 Ca 0.02 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.79 3iss s THR 324 Cb -0.14 -2.96 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 3iss s THR 324 CO -0.09 0.51 0.04 -0.70 -0.69 0.00 0.00 174.62 173.69 3iss s GLU 325 N 0.05 3.55 0.00 4.92 2.56 -0.57 -1.07 118.70 128.14 3iss s GLU 325 Ca 0.03 -0.53 0.10 0.00 0.00 0.00 0.00 54.97 54.57 3iss s GLU 325 Cb -0.13 -3.23 0.01 0.00 2.00 0.00 0.00 34.13 32.79 3iss s GLU 325 CO 0.02 -0.20 0.66 0.25 -0.56 0.00 0.00 175.26 175.42 3iss n THR 326 N 4.88 0.00 -0.12 -1.70 -2.24 -1.23 -4.56 114.28 109.31 3iss n THR 326 Ca -0.17 -0.42 -0.24 0.00 -2.27 0.00 0.00 64.05 60.96 3iss n THR 326 Cb 0.51 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.79 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 -0.12 1.52 -3.91 2.28 0.31 -1.26 -4.82 118.33 112.33 3iss n VAL 327 Ca 0.04 -0.22 -0.30 0.00 -0.01 0.00 0.00 64.34 63.85 3iss n VAL 327 Cb 0.21 -2.01 -0.15 0.00 -0.91 0.00 0.00 33.84 30.99 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 -2.56 3.01 -0.69 3.52 0.08 -1.26 -5.01 117.98 115.06 3iss s PHE 328 Ca -0.35 -2.71 0.19 0.00 0.12 0.00 0.00 56.93 54.18 3iss s PHE 328 Cb 0.11 -2.53 0.82 0.00 -0.57 0.00 0.00 43.02 40.85 3iss s PHE 328 CO 0.48 -0.87 1.59 0.39 -0.10 0.00 0.00 175.22 176.71 3iss n GLU 329 N 4.05 0.11 -0.66 0.44 1.02 -1.26 -2.28 120.64 122.05 3iss n GLU 329 Ca 0.04 0.36 0.00 0.00 -0.02 0.00 0.00 57.16 57.54 3iss n GLU 329 Cb 0.39 -1.72 0.22 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.92 3.00 -3.97 1.62 3.02 -1.21 -4.67 115.26 111.11 3iss n ASN 330 Ca 0.02 -3.48 -0.43 0.00 -0.03 0.00 0.00 54.58 50.67 3iss n ASN 330 Cb 0.19 -0.60 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 -0.93 3.87 -0.34 3.52 0.63 -0.97 -4.54 116.66 117.91 3iss n ARG 331 Ca 0.29 -3.91 0.00 0.00 -0.92 0.00 0.00 57.85 53.31 3iss n ARG 331 Cb 0.99 -2.79 0.00 0.00 0.45 0.00 0.00 32.46 31.11 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 3.16 0.00 0.24 -0.14 3.72 -1.26 -4.86 117.46 118.32 3iss n PHE 332 Ca 0.35 -0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.85 3iss n PHE 332 Cb 0.36 -0.04 0.76 0.00 -0.94 0.00 0.00 39.48 39.62 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 -0.06 -1.08 2.86 -1.97 -1.20 114.93 113.48 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 1.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.93 3iss h MET 333 CO 0.00 0.00 -0.00 1.12 1.06 0.00 0.00 176.91 179.09 3iss h HIS 334 N 0.00 0.08 0.67 -0.22 -0.00 -1.94 -3.26 115.15 110.49 3iss h HIS 334 Ca 0.03 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 3iss h HIS 334 Cb 0.14 -0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.52 3iss h HIS 334 CO 0.00 0.09 -0.41 0.28 -0.00 0.00 0.00 177.93 177.89 3iss h VAL 335 N 0.09 0.16 -0.85 6.12 2.07 -1.60 -0.90 116.25 121.34 3iss h VAL 335 Ca 0.02 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.69 3iss h VAL 335 Cb 0.06 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 3iss h VAL 335 CO 0.00 0.00 0.56 -0.65 0.02 0.00 0.00 177.57 177.50 3iss h PRO 336 N -1.03 0.58 -0.02 1.57 0.11 -1.72 -1.03 132.00 130.46 3iss h PRO 336 Ca -0.09 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.99 3iss h PRO 336 Cb 0.83 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.81 3iss h PRO 336 CO 0.09 0.38 0.01 0.93 -0.21 0.00 0.00 178.00 179.19 3iss h GLU 337 N 0.59 0.03 -0.06 1.05 4.39 -1.53 -2.06 114.58 116.99 3iss h GLU 337 Ca 0.43 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.14 3iss h GLU 337 Cb 0.79 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3iss h GLU 337 CO -0.18 0.23 0.06 -0.07 -1.16 0.00 0.00 179.01 177.89 3iss h LEU 338 N -0.18 0.00 -1.03 1.33 3.38 -0.57 -0.21 115.31 118.04 3iss h LEU 338 Ca 0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3iss h LEU 338 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3iss h LEU 338 CO -0.00 0.00 -0.42 0.28 0.09 0.00 0.00 178.44 178.39 3iss h SER 339 N 0.00 0.15 0.16 -0.43 0.02 -0.52 -1.52 113.55 111.40 3iss h SER 339 Ca 0.03 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3iss h SER 339 Cb 0.15 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 3iss h SER 339 CO -0.00 0.55 -0.07 0.03 -1.14 0.00 0.00 176.83 176.21 3iss h ARG 340 N 0.12 0.00 -0.65 3.45 3.08 -0.56 -1.88 114.38 117.94 3iss h ARG 340 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3iss h ARG 340 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.84 3iss h ARG 340 CO 0.06 0.07 0.00 -1.33 -1.07 0.00 0.00 179.97 177.70 3iss n MET 341 N -3.88 3.42 -0.33 0.04 2.81 -0.64 -4.83 117.12 113.71 3iss n MET 341 Ca -0.02 -2.59 0.00 0.00 -1.81 0.00 0.00 57.70 53.27 3iss n MET 341 Cb 0.16 -1.82 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 1.12 0.78 3.78 3.03 0.00 -0.71 -0.77 105.19 112.42 3iss n GLY 342 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.21 2.57 -0.31 4.61 0.00 -0.77 -4.97 121.76 120.69 3iss s ALA 343 Ca 0.00 0.56 -0.00 0.00 0.00 0.00 0.00 51.96 52.52 3iss s ALA 343 Cb 0.00 -3.30 0.06 0.00 0.00 0.00 0.00 23.12 19.88 3iss s ALA 343 CO 0.00 -1.07 0.00 -1.01 0.00 0.00 0.00 175.76 173.68 3iss s HIS 344 N -2.26 3.36 0.01 0.00 0.09 -1.26 -4.53 115.29 110.69 3iss s HIS 344 Ca 0.67 -2.17 -0.11 0.00 -0.00 0.00 0.00 55.06 53.45 3iss s HIS 344 Cb -0.20 -2.28 0.01 0.00 -0.00 0.00 0.00 32.58 30.11 3iss s HIS 344 CO 0.38 -0.86 0.22 0.00 -0.00 0.00 0.00 174.74 174.48 3iss s ALA 345 N 1.16 -0.51 0.10 -1.40 0.00 -1.26 -1.49 121.76 118.36 3iss s ALA 345 Ca -0.03 -0.01 0.08 0.00 0.00 0.00 0.00 51.96 52.00 3iss s ALA 345 Cb -0.20 0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.04 3iss s ALA 345 CO -0.03 -0.28 -0.20 -1.83 0.00 0.00 0.00 175.76 173.43 3iss s GLU 346 N -1.72 1.07 -0.25 0.00 1.03 -0.60 -4.97 118.70 113.25 3iss s GLU 346 Ca -0.11 -1.13 -0.05 0.00 0.03 0.00 0.00 54.97 53.70 3iss s GLU 346 Cb -0.05 -1.28 -0.00 0.00 -0.80 0.00 0.00 34.13 32.00 3iss s GLU 346 CO 0.01 0.30 0.02 0.42 -1.33 0.00 0.00 175.26 174.67 3iss s ILE 347 N -1.20 3.70 -0.35 1.83 1.01 -1.26 0.38 121.20 125.30 3iss s ILE 347 Ca 0.05 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.12 3iss s ILE 347 Cb -0.10 -2.79 0.07 0.00 0.01 0.00 0.00 42.46 39.66 3iss s ILE 347 CO 0.04 0.27 0.11 -1.61 0.00 0.00 0.00 174.94 173.75 3iss s GLU 348 N 1.50 2.27 7.71 2.79 0.41 0.05 -4.98 118.70 128.45 3iss s GLU 348 Ca 0.04 -1.49 0.00 0.00 -0.41 0.00 0.00 54.97 53.11 3iss s GLU 348 Cb -0.16 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 3iss s GLU 348 CO -0.00 -0.83 0.00 0.45 -0.49 0.00 0.00 175.26 174.39 3iss n SER 349 N 4.64 0.00 -1.64 -0.19 2.88 -1.26 -1.65 113.62 116.39 3iss n SER 349 Ca -0.08 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.34 3iss n SER 349 Cb 0.43 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 64.09 3iss n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3iss n ASN 350 N 9.34 3.26 -4.01 -3.46 0.23 -1.26 -4.91 115.26 114.45 3iss n ASN 350 Ca 0.00 -3.63 -0.24 0.00 -0.53 0.00 0.00 54.58 50.19 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 -3.23 1.03 -0.19 5.53 2.01 -0.66 -1.51 115.64 118.63 3iss s THR 351 Ca 0.50 -0.43 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 3iss s THR 351 Cb 0.44 -0.95 -0.05 0.00 0.01 0.00 0.00 72.50 71.95 3iss s THR 351 CO 0.06 0.33 0.25 0.54 -0.69 0.00 0.00 174.62 175.11 3iss s VAL 352 N 0.64 5.32 -0.31 3.82 0.11 -0.40 -0.77 120.40 128.82 3iss s VAL 352 Ca -0.13 0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 59.24 3iss s VAL 352 Cb -0.15 -3.59 -0.02 0.00 -1.53 0.00 0.00 36.38 31.09 3iss s VAL 352 CO 0.03 0.37 0.19 -0.63 -3.33 0.00 0.00 175.10 171.73 3iss s ILE 353 N 0.67 5.01 -0.12 7.04 1.01 0.16 -1.66 121.20 133.30 3iss s ILE 353 Ca 0.13 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 3iss s ILE 353 Cb -0.13 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 3iss s ILE 353 CO 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 174.94 175.06 3iss s HIS 355 N -0.13 3.52 0.18 0.00 3.76 -0.56 -1.80 115.29 120.26 3iss s HIS 355 Ca 0.03 -2.48 -0.33 0.00 -0.15 0.00 0.00 55.06 52.13 3iss s HIS 355 Cb -0.13 -2.65 -0.13 0.00 1.11 0.00 0.00 32.58 30.79 3iss s HIS 355 CO 0.02 -0.91 1.66 0.41 -0.85 0.00 0.00 174.74 175.07 3iss n GLY 356 N 4.46 1.34 3.86 -2.22 0.00 -0.65 -4.24 105.19 107.74 3iss n GLY 356 Ca -0.05 0.64 -0.21 0.00 0.00 0.00 0.00 46.02 46.41 3iss n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 357 N 1.14 3.73 0.06 1.61 -7.23 0.21 -4.69 120.40 115.25 3iss s VAL 357 Ca 0.77 -1.33 -0.16 0.00 -1.81 0.00 0.00 61.98 59.45 3iss s VAL 357 Cb -0.59 -3.25 -0.18 0.00 0.56 0.00 0.00 36.38 32.92 3iss s VAL 357 CO 0.35 -0.20 1.24 -0.08 -0.31 0.00 0.00 175.10 176.11 3iss h GLU 358 N 1.25 0.63 -2.23 4.82 4.22 -1.87 -3.38 114.58 118.03 3iss h GLU 358 Ca -0.45 -0.54 -0.07 0.00 0.08 0.00 0.00 59.36 58.37 3iss h GLU 358 Cb 1.25 0.12 -0.20 0.00 0.50 0.00 0.00 28.75 30.42 3iss h GLU 358 CO 0.58 1.16 0.07 -1.59 -2.18 0.00 0.00 179.01 177.05 3iss s LYS 359 N -3.63 0.90 0.44 1.92 -2.85 -1.26 -5.03 119.74 110.22 3iss s LYS 359 Ca -0.12 0.39 0.01 0.00 -1.00 0.00 0.00 55.97 55.25 3iss s LYS 359 Cb 0.07 0.42 -0.01 0.00 -2.06 0.00 0.00 37.83 36.25 3iss s LYS 359 CO 0.86 -0.23 0.65 -0.51 0.10 0.00 0.00 175.35 176.23 3iss s LEU 360 N -0.72 3.69 -0.06 2.77 1.43 -1.26 -4.96 118.68 119.57 3iss s LEU 360 Ca -0.08 0.28 0.05 0.00 -1.03 0.00 0.00 54.13 53.35 3iss s LEU 360 Cb -0.02 -3.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.03 3iss s LEU 360 CO 0.06 -0.66 -0.22 -0.44 0.23 0.00 0.00 176.35 175.32 3iss s SER 361 N -4.20 3.33 0.58 2.29 0.01 0.05 0.50 113.70 116.26 3iss s SER 361 Ca 0.48 -0.44 -0.20 0.00 1.31 0.00 0.00 55.95 57.10 3iss s SER 361 Cb -0.10 -0.90 -0.04 0.00 0.21 0.00 0.00 66.02 65.19 3iss s SER 361 CO 0.37 0.26 1.18 0.61 0.41 0.00 0.00 173.24 176.07 3iss n GLY 362 N 2.88 0.27 3.81 3.44 0.00 -0.77 -4.35 105.19 110.47 3iss n GLY 362 Ca -0.17 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.39 -1.56 -0.15 4.61 0.00 -1.02 -4.80 121.76 117.45 3iss s ALA 363 Ca 0.75 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 52.34 3iss s ALA 363 Cb -0.42 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.37 3iss s ALA 363 CO 0.47 -1.05 0.72 -0.65 0.00 0.00 0.00 175.76 175.25 3iss s GLN 364 N -2.74 4.31 0.13 0.00 -0.21 -1.26 -2.03 119.66 117.86 3iss s GLN 364 Ca 0.16 0.84 0.03 0.00 0.02 0.00 0.00 55.36 56.42 3iss s GLN 364 Cb -0.02 -3.54 -0.04 0.00 1.00 0.00 0.00 33.01 30.41 3iss s GLN 364 CO 0.04 -0.19 -0.09 0.14 -2.12 0.00 0.00 175.29 173.08 3iss s VAL 365 N 1.69 0.99 -0.17 1.09 -7.23 -0.11 -4.96 120.40 111.69 3iss s VAL 365 Ca 0.35 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.54 3iss s VAL 365 Cb -0.17 -1.75 0.01 0.00 0.56 0.00 0.00 36.38 35.03 3iss s VAL 365 CO 0.13 -0.77 -0.18 -0.32 -0.31 0.00 0.00 175.10 173.65 3iss s MET 366 N -3.70 3.07 0.42 4.82 1.75 -1.26 -0.70 119.30 123.70 3iss s MET 366 Ca 0.14 -0.80 -0.23 0.00 -1.25 0.00 0.00 55.69 53.55 3iss s MET 366 Cb 0.03 -2.60 -0.09 0.00 2.84 0.00 0.00 34.83 35.01 3iss s MET 366 CO -0.01 -0.13 1.05 0.00 -0.65 0.00 0.00 175.02 175.27 3iss s ALA 367 N 1.14 3.04 0.00 4.11 0.00 -0.84 -4.94 121.76 124.28 3iss s ALA 367 Ca 0.01 0.68 0.00 0.00 0.00 0.00 0.00 51.96 52.65 3iss s ALA 367 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3iss s ALA 367 CO -0.08 -0.23 0.00 0.25 0.00 0.00 0.00 175.76 175.70 3iss n THR 368 N -0.26 0.00 -4.43 0.00 -2.24 -1.26 -4.84 114.28 101.25 3iss n THR 368 Ca 0.06 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.52 3iss n THR 368 Cb 0.50 0.06 -0.16 0.00 -2.10 0.00 0.00 70.33 68.63 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 3.01 0.40 3.42 -1.08 -1.26 -5.01 116.67 116.15 3iss s ASP 369 Ca 0.00 -0.59 0.29 0.00 -0.52 0.00 0.00 52.55 51.73 3iss s ASP 369 Cb 0.00 -1.39 1.38 0.00 -1.46 0.00 0.00 42.92 41.45 3iss s ASP 369 CO 0.00 0.04 1.47 -0.11 0.52 0.00 0.00 175.17 177.09 3iss n LEU 370 N 4.30 0.22 -0.04 -1.34 7.94 -1.26 -1.95 117.00 124.87 3iss n LEU 370 Ca -0.20 1.35 -0.07 0.00 -1.11 0.00 0.00 56.01 55.98 3iss n LEU 370 Cb 0.51 -0.66 -0.04 0.00 0.53 0.00 0.00 43.42 43.76 3iss n LEU 370 CO 0.26 -1.48 -0.79 0.54 -1.11 0.00 0.00 177.39 174.81 3iss n ARG 371 N -4.69 0.20 -0.13 1.96 5.12 -1.26 -4.17 116.66 113.69 3iss n ARG 371 Ca 0.38 0.06 0.01 0.00 -1.93 0.00 0.00 57.85 56.36 3iss n ARG 371 Cb 1.43 -1.05 0.29 0.00 -1.16 0.00 0.00 32.46 31.97 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 -0.11 1.49 0.00 7.54 0.00 -1.84 -2.84 119.26 123.50 3iss h ALA 372 Ca -0.20 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iss h ALA 372 Cb 1.26 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iss h ALA 372 CO -0.07 0.44 0.00 0.77 0.00 0.00 0.00 179.25 180.39 3iss h SER 373 N 0.82 0.00 -0.45 0.00 0.02 -1.70 -1.70 113.55 110.54 3iss h SER 373 Ca 0.21 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.29 3iss h SER 373 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 3iss h SER 373 CO -0.04 0.00 0.40 0.00 -1.14 0.00 0.00 176.83 176.05 3iss h ALA 374 N 2.12 2.25 0.00 3.77 0.00 -1.73 0.68 119.26 126.35 3iss h ALA 374 Ca 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3iss h ALA 374 Cb 0.32 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iss h ALA 374 CO 0.00 -0.63 -0.15 0.66 0.00 0.00 0.00 179.25 179.13 3iss h SER 375 N 0.00 0.00 -0.37 0.00 4.64 -1.52 -1.55 113.55 114.75 3iss h SER 375 Ca 0.21 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.39 3iss h SER 375 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.09 3iss h SER 375 CO -0.00 0.15 -0.30 -0.07 -0.87 0.00 0.00 176.83 175.74 3iss h LEU 376 N 0.00 0.94 -0.11 5.97 3.38 -1.07 0.10 115.31 124.52 3iss h LEU 376 Ca -0.00 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 3iss h LEU 376 Cb 0.39 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3iss h LEU 376 CO 0.02 1.16 -0.00 0.58 0.09 0.00 0.00 178.44 180.29 3iss h VAL 377 N 0.76 1.26 -0.66 1.22 2.07 -1.38 -1.49 116.25 118.02 3iss h VAL 377 Ca 0.08 -0.84 0.07 0.00 0.82 0.00 0.00 66.70 66.84 3iss h VAL 377 Cb 0.87 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.18 3iss h VAL 377 CO 0.08 0.24 0.35 -0.07 0.02 0.00 0.00 177.57 178.18 3iss h LEU 378 N -0.08 0.49 -0.62 2.57 4.07 -1.25 -0.37 115.31 120.11 3iss h LEU 378 Ca 0.03 0.04 0.04 0.00 0.08 0.00 0.00 57.88 58.07 3iss h LEU 378 Cb 0.37 -0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.02 3iss h LEU 378 CO 0.01 0.30 0.36 0.00 -1.08 0.00 0.00 178.44 178.03 3iss h ALA 379 N 1.37 0.81 -0.88 1.53 0.00 -0.77 -2.19 119.26 119.13 3iss h ALA 379 Ca 0.31 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.34 3iss h ALA 379 Cb 0.25 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 379 CO -0.22 0.07 0.50 0.78 0.00 0.00 0.00 179.25 180.38 3iss h GLY 380 N 0.69 1.40 1.63 0.00 0.00 -0.00 -0.25 103.07 106.54 3iss h GLY 380 Ca 0.26 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3iss h GLY 380 CO -0.14 0.08 0.23 0.00 0.00 0.00 0.00 176.54 176.72 3iss n ILE 382 N -4.47 0.00 -1.74 0.00 -5.35 -0.47 -1.72 119.36 105.62 3iss n ILE 382 Ca 0.02 -0.30 -0.31 0.00 -0.27 0.00 0.00 62.75 61.90 3iss n ILE 382 Cb 0.07 1.15 0.04 0.00 -1.74 0.00 0.00 39.64 39.17 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 -1.99 2.78 -0.51 -1.28 0.00 -0.23 -4.55 121.76 115.98 3iss s ALA 383 Ca 0.12 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.69 3iss s ALA 383 Cb 0.13 -3.10 0.03 0.00 0.00 0.00 0.00 23.12 20.18 3iss s ALA 383 CO 0.44 -1.14 1.00 -2.00 0.00 0.00 0.00 175.76 174.07 3iss s GLU 384 N -5.19 3.49 0.00 0.00 2.56 0.18 -1.99 118.70 117.76 3iss s GLU 384 Ca 0.58 0.10 0.00 0.00 0.00 0.00 0.00 54.97 55.65 3iss s GLU 384 Cb -0.12 -3.97 0.00 0.00 2.00 0.00 0.00 34.13 32.03 3iss s GLU 384 CO 0.54 -1.39 0.00 0.41 -0.56 0.00 0.00 175.26 174.26 3iss n GLY 385 N 5.00 0.56 3.42 -1.50 0.00 -0.04 -1.85 105.19 110.77 3iss n GLY 385 Ca 0.06 -1.75 -0.34 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 3.69 -0.10 2.61 2.01 -1.26 -0.94 115.64 121.65 3iss s THR 386 Ca 0.00 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 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 -0.13 -0.89 -0.69 0.00 0.00 174.62 173.36 3iss s THR 387 N 0.89 3.11 -0.26 -0.82 2.01 -0.29 -2.44 115.64 117.83 3iss s THR 387 Ca -0.00 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.29 3iss s THR 387 Cb -0.15 -2.28 0.01 0.00 0.01 0.00 0.00 72.50 70.10 3iss s THR 387 CO 0.01 0.55 0.00 -0.69 -0.69 0.00 0.00 174.62 173.81 3iss s VAL 388 N -0.06 3.49 -0.52 3.82 1.01 -0.86 -0.48 120.40 126.80 3iss s VAL 388 Ca -0.02 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.05 3iss s VAL 388 Cb -0.14 -2.73 0.08 0.00 0.00 0.00 0.00 36.38 33.59 3iss s VAL 388 CO 0.04 0.21 0.57 -0.69 0.00 0.00 0.00 175.10 175.23 3iss s VAL 389 N 1.44 4.99 0.47 2.92 1.01 0.52 -0.94 120.40 130.82 3iss s VAL 389 Ca 0.03 -0.87 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3iss s VAL 389 Cb -0.16 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.83 3iss s VAL 389 CO -0.01 -0.83 1.04 -0.62 0.00 0.00 0.00 175.10 174.68 3iss s ASP 390 N 3.00 6.40 -0.49 3.32 -1.08 0.13 -1.82 116.67 126.13 3iss s ASP 390 Ca 0.10 1.96 -0.03 0.00 -0.52 0.00 0.00 52.55 54.06 3iss s ASP 390 Cb -0.23 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.67 3iss s ASP 390 CO 0.08 -0.74 0.42 -1.14 0.52 0.00 0.00 175.17 174.31 3iss n ARG 391 N -0.80 -2.82 0.00 4.34 0.63 -1.18 -1.98 116.66 114.86 3iss n ARG 391 Ca 0.08 0.30 0.10 0.00 -0.92 0.00 0.00 57.85 57.41 3iss n ARG 391 Cb 0.52 -3.72 0.58 0.00 0.45 0.00 0.00 32.46 30.29 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 0.05 -0.03 5.15 -5.35 -1.23 -3.29 119.36 111.25 3iss n ILE 392 Ca 0.00 0.01 0.13 0.00 -0.27 0.00 0.00 62.75 62.63 3iss n ILE 392 Cb 0.52 -0.70 0.55 0.00 -1.74 0.00 0.00 39.64 38.28 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 -0.33 4.28 -0.00 -1.91 0.35 116.97 119.67 3iss h TYR 393 Ca 0.00 0.01 0.07 0.00 0.00 0.00 0.00 58.73 58.81 3iss h TYR 393 Cb 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 36.73 36.58 3iss h TYR 393 CO 0.00 0.15 -0.13 0.45 -0.00 0.00 0.00 178.16 178.63 3iss h HIS 394 N 0.29 -0.30 -0.15 0.10 3.86 -1.92 -2.38 115.15 114.64 3iss h HIS 394 Ca 0.24 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.43 3iss h HIS 394 Cb 0.58 0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 3iss h HIS 394 CO -0.00 -0.20 -0.17 0.82 0.86 0.00 0.00 177.93 179.25 3iss h ILE 395 N -0.07 1.20 0.00 2.45 2.04 -0.61 -1.50 117.51 121.03 3iss h ILE 395 Ca 0.16 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 3iss h ILE 395 Cb 0.32 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3iss h ILE 395 CO -0.37 0.27 -0.05 0.44 0.00 0.00 0.00 178.15 178.44 3iss h ASP 396 N 0.23 0.00 1.29 1.72 3.32 -0.70 -0.47 116.42 121.81 3iss h ASP 396 Ca 0.04 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 3iss h ASP 396 Cb 0.43 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 3iss h ASP 396 CO 0.03 0.05 -0.16 0.03 -1.72 0.00 0.00 179.24 177.47 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.01 -2.57 114.38 117.44 3iss h ARG 397 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 3iss h ARG 397 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 3iss h ARG 397 CO 0.01 0.16 -1.35 0.41 -1.07 0.00 0.00 179.97 178.12 3iss n GLY 398 N 0.52 -0.28 3.06 0.04 0.00 -0.30 -3.66 105.19 104.56 3iss n GLY 398 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.25 1.08 -0.63 1.61 2.02 -0.52 -4.94 117.35 113.72 3iss s TYR 399 Ca -0.03 -0.23 -0.28 0.00 -0.37 0.00 0.00 57.07 56.17 3iss s TYR 399 Cb 0.03 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.89 3iss s TYR 399 CO 0.25 -0.05 1.29 -2.00 -1.57 0.00 0.00 175.55 173.47 3iss s GLU 400 N -0.13 3.33 -1.05 -0.62 2.12 -1.26 -4.40 118.70 116.70 3iss s GLU 400 Ca 0.02 0.14 -0.16 0.00 0.36 0.00 0.00 54.97 55.34 3iss s GLU 400 Cb -0.06 -4.11 -0.01 0.00 0.26 0.00 0.00 34.13 30.21 3iss s GLU 400 CO -0.00 -1.93 0.76 0.54 -0.54 0.00 0.00 175.26 174.09 3iss n ARG 401 N 8.83 -1.28 0.21 4.30 1.74 -1.26 -4.87 116.66 124.33 3iss n ARG 401 Ca 0.08 0.63 0.05 0.00 -0.77 0.00 0.00 57.85 57.84 3iss n ARG 401 Cb 0.49 -4.11 0.44 0.00 -1.02 0.00 0.00 32.46 28.26 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 -1.39 1.08 -0.08 0.55 2.10 -1.96 -2.67 117.51 115.15 3iss h ILE 402 Ca -0.58 -1.07 -0.12 0.00 1.08 0.00 0.00 64.86 64.18 3iss h ILE 402 Cb 1.32 1.60 -0.01 0.00 -1.09 0.00 0.00 36.82 38.63 3iss h ILE 402 CO 0.44 0.29 -0.49 1.05 -1.08 0.00 0.00 178.15 178.37 3iss h GLU 403 N 0.00 0.20 -0.14 2.19 9.09 -1.97 -1.66 114.58 122.29 3iss h GLU 403 Ca -0.00 -0.11 -0.03 0.00 0.05 0.00 0.00 59.36 59.26 3iss h GLU 403 Cb 0.57 0.01 -0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3iss h GLU 403 CO 0.04 0.64 -0.05 -0.44 0.05 0.00 0.00 179.01 179.26 3iss h ASP 404 N 0.16 0.29 -0.63 3.06 3.32 -1.84 -0.99 116.42 119.78 3iss h ASP 404 Ca 0.01 -0.39 -0.08 0.00 0.02 0.00 0.00 57.03 56.59 3iss h ASP 404 Cb 0.92 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.37 3iss h ASP 404 CO 0.07 0.61 0.08 0.11 -1.72 0.00 0.00 179.24 178.39 3iss h LYS 405 N -0.04 1.08 -0.62 3.56 1.57 -1.48 -1.67 116.57 118.97 3iss h LYS 405 Ca 0.03 -0.30 -0.09 0.00 -1.87 0.00 0.00 60.65 58.43 3iss h LYS 405 Cb 0.49 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 3iss h LYS 405 CO 0.02 1.00 0.03 -0.07 -0.57 0.00 0.00 179.45 179.86 3iss h LEU 406 N 1.00 1.05 -0.58 2.94 3.38 -1.27 -2.93 115.31 118.90 3iss h LEU 406 Ca 0.19 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3iss h LEU 406 Cb 0.46 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3iss h LEU 406 CO 0.02 1.08 0.25 -0.09 0.09 0.00 0.00 178.44 179.78 3iss h ARG 407 N 0.99 0.85 0.00 1.13 2.43 -0.93 -0.23 114.38 118.62 3iss h ARG 407 Ca 0.18 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3iss h ARG 407 Cb 0.53 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 3iss h ARG 407 CO 0.03 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.20 3iss n ALA 408 N -2.35 1.67 0.36 2.80 0.00 -0.65 -0.59 120.51 121.75 3iss n ALA 408 Ca 0.03 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.50 3iss n ALA 408 Cb 0.15 -1.15 0.10 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.20 2.46 0.00 0.00 4.77 -0.18 -4.70 117.00 118.15 3iss n LEU 409 Ca 0.05 -1.28 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 3iss n LEU 409 Cb 0.06 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3iss n LEU 409 CO 0.06 0.51 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 3iss n GLY 410 N 0.80 0.89 3.77 -0.72 0.00 0.24 -1.31 105.19 108.85 3iss n GLY 410 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3iss n GLY 410 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 411 N -2.00 3.44 -0.63 4.61 0.00 -0.72 -4.80 121.76 121.66 3iss s ALA 411 Ca 0.00 1.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.90 3iss s ALA 411 Cb 0.00 -3.42 0.13 0.00 0.00 0.00 0.00 23.12 19.84 3iss s ALA 411 CO 0.00 -0.46 0.67 1.21 0.00 0.00 0.00 175.76 177.19 3iss s ASN 412 N -0.67 6.30 -0.03 0.00 3.84 -1.26 -4.42 114.94 118.70 3iss s ASN 412 Ca 0.48 -1.79 -0.09 0.00 0.21 0.00 0.00 52.86 51.67 3iss s ASN 412 Cb -0.36 -2.26 0.01 0.00 -0.55 0.00 0.00 41.25 38.09 3iss s ASN 412 CO 0.48 -0.94 0.20 -0.51 -2.79 0.00 0.00 177.10 173.53 3iss s ILE 413 N 1.94 0.05 0.02 -5.21 2.07 -1.26 -0.72 121.20 118.09 3iss s ILE 413 Ca 0.11 -0.41 -0.01 0.00 -1.41 0.00 0.00 60.65 58.93 3iss s ILE 413 Cb -0.23 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.91 3iss s ILE 413 CO 0.02 -0.23 -0.01 -1.83 -1.91 0.00 0.00 174.94 170.98 3iss s GLU 414 N -0.86 0.38 -0.37 3.50 -1.05 -0.52 -4.99 118.70 114.79 3iss s GLU 414 Ca -0.09 -0.69 -0.14 0.00 -0.15 0.00 0.00 54.97 53.89 3iss s GLU 414 Cb -0.05 0.14 -0.00 0.00 -0.44 0.00 0.00 34.13 33.77 3iss s GLU 414 CO 0.02 -0.07 0.27 0.50 0.95 0.00 0.00 175.26 176.93 3iss s ARG 415 N -1.87 3.27 0.28 -4.83 3.52 -1.26 -1.19 118.95 116.87 3iss s ARG 415 Ca -0.12 -0.80 0.09 0.00 -0.13 0.00 0.00 55.73 54.77 3iss s ARG 415 Cb -0.07 -3.88 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 3iss s ARG 415 CO -0.02 -0.58 0.06 0.14 -0.81 0.00 0.00 175.30 174.08 3iss s VAL 416 N 1.72 3.53 -0.40 7.11 -7.23 -0.56 -4.94 120.40 119.63 3iss s VAL 416 Ca 0.06 -1.78 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 3iss s VAL 416 Cb -0.18 -2.97 0.47 0.00 0.56 0.00 0.00 36.38 34.26 3iss s VAL 416 CO 0.10 -0.33 1.50 0.29 -0.31 0.00 0.00 175.10 176.36 3iss n LYS 417 N -1.00 2.91 0.00 4.82 4.76 -1.26 -1.37 118.16 127.02 3iss n LYS 417 Ca -0.06 -3.68 0.00 0.00 -2.87 0.00 0.00 58.31 51.70 3iss n LYS 417 Cb 0.59 -2.17 0.00 0.00 -1.84 0.00 0.00 35.03 31.61 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44