#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 4.35 0.05 7.83 1.11 -1.26 -4.02 116.67 124.73 3iss s ASP 2 Ca 0.00 2.41 -0.01 0.00 0.18 0.00 0.00 52.55 55.13 3iss s ASP 2 Cb 0.00 -2.60 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 3iss s ASP 2 CO 0.00 -2.16 -0.03 -0.54 1.18 0.00 0.00 175.17 173.62 3iss s LYS 3 N -3.76 0.57 -0.19 8.23 1.02 -0.66 -3.05 119.74 121.91 3iss s LYS 3 Ca 0.76 -1.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.57 3iss s LYS 3 Cb -0.31 0.15 -0.04 0.00 -0.52 0.00 0.00 37.83 37.12 3iss s LYS 3 CO 0.43 -0.09 0.04 -0.06 -0.92 0.00 0.00 175.35 174.75 3iss s PHE 4 N -3.43 3.17 -0.21 3.18 0.08 -0.68 -1.46 117.98 118.63 3iss s PHE 4 Ca 0.03 -0.09 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 3iss s PHE 4 Cb 0.04 -2.08 -0.04 0.00 -0.57 0.00 0.00 43.02 40.37 3iss s PHE 4 CO -0.08 0.03 0.11 0.50 -0.10 0.00 0.00 175.22 175.68 3iss s ARG 5 N 0.56 4.02 -0.03 0.44 3.52 -0.15 -0.50 118.95 126.81 3iss s ARG 5 Ca 0.02 -0.31 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 3iss s ARG 5 Cb -0.13 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 3iss s ARG 5 CO 0.02 0.16 -0.16 0.08 -0.81 0.00 0.00 175.30 174.58 3iss s VAL 6 N 0.74 1.36 -0.14 7.11 1.01 0.41 -0.90 120.40 130.00 3iss s VAL 6 Ca 0.06 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3iss s VAL 6 Cb -0.13 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 3iss s VAL 6 CO 0.02 0.39 -0.17 -1.10 0.00 0.00 0.00 175.10 174.24 3iss s GLN 7 N -0.06 3.21 0.34 2.72 -1.52 0.94 -0.97 119.66 124.32 3iss s GLN 7 Ca -0.01 -0.77 0.01 0.00 -1.95 0.00 0.00 55.36 52.64 3iss s GLN 7 Cb -0.10 -2.55 -0.01 0.00 -0.22 0.00 0.00 33.01 30.13 3iss s GLN 7 CO 0.01 0.09 0.41 0.20 -0.25 0.00 0.00 175.29 175.75 3iss s GLY 8 N 0.62 1.78 0.56 3.09 0.00 -0.20 -4.14 107.32 109.03 3iss s GLY 8 Ca -0.09 -1.71 -0.16 0.00 0.00 0.00 0.00 44.72 42.76 3iss s GLY 8 CO 0.03 -1.16 1.02 2.56 0.00 0.00 0.00 173.10 175.55 3iss s PRO 9 N -3.18 3.62 -0.15 2.90 0.04 -0.70 -0.91 135.00 136.62 3iss s PRO 9 Ca 0.34 1.06 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 3iss s PRO 9 Cb 0.01 -2.08 0.04 0.00 0.04 0.00 0.00 34.50 32.51 3iss s PRO 9 CO 0.23 -0.55 0.38 -0.08 0.04 0.00 0.00 177.00 177.02 3iss s THR 10 N -2.59 -0.01 -0.33 1.26 -1.32 -0.71 -5.00 115.64 106.94 3iss s THR 10 Ca 0.61 0.04 -0.16 0.00 -1.21 0.00 0.00 61.69 60.97 3iss s THR 10 Cb -0.13 -0.55 -0.01 0.00 -1.51 0.00 0.00 72.50 70.30 3iss s THR 10 CO 0.36 0.01 0.39 -0.75 -2.21 0.00 0.00 174.62 172.42 3iss s LYS 11 N 0.62 3.63 -0.28 7.08 2.20 -1.26 -4.57 119.74 127.16 3iss s LYS 11 Ca -0.03 -0.31 -0.26 0.00 -0.36 0.00 0.00 55.97 55.01 3iss s LYS 11 Cb -0.05 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.49 3iss s LYS 11 CO -0.04 -0.51 0.90 -0.51 -0.36 0.00 0.00 175.35 174.83 3iss s LEU 12 N 2.09 4.05 0.09 5.43 1.43 -1.26 -4.73 118.68 125.79 3iss s LEU 12 Ca 0.13 0.94 -0.15 0.00 -1.03 0.00 0.00 54.13 54.02 3iss s LEU 12 Cb -0.16 -3.28 0.03 0.00 0.03 0.00 0.00 46.19 42.81 3iss s LEU 12 CO 0.12 -0.66 0.37 0.00 0.23 0.00 0.00 176.35 176.41 3iss s GLN 13 N 3.12 0.98 0.00 1.70 -2.07 -0.61 -3.38 119.66 119.40 3iss s GLN 13 Ca 0.38 -0.63 0.00 0.00 -1.82 0.00 0.00 55.36 53.28 3iss s GLN 13 Cb -0.14 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.21 3iss s GLN 13 CO 0.11 -0.36 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 3iss n GLY 14 N 0.05 0.22 3.23 2.60 0.00 -0.58 -4.45 105.19 106.26 3iss n GLY 14 Ca -0.17 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.03 3iss n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iss s GLU 15 N -0.72 1.26 -0.07 1.61 -1.05 -1.26 -1.69 118.70 116.78 3iss s GLU 15 Ca 0.00 -1.67 -0.15 0.00 -0.15 0.00 0.00 54.97 53.01 3iss s GLU 15 Cb 0.00 0.12 0.03 0.00 -0.44 0.00 0.00 34.13 33.84 3iss s GLU 15 CO 0.00 -0.36 0.34 0.54 0.95 0.00 0.00 175.26 176.73 3iss s VAL 16 N -4.04 0.03 -0.24 1.83 0.11 -0.49 -4.80 120.40 112.80 3iss s VAL 16 Ca 0.38 -0.26 -0.10 0.00 -2.93 0.00 0.00 61.98 59.07 3iss s VAL 16 Cb 0.07 -0.59 -0.05 0.00 -1.53 0.00 0.00 36.38 34.29 3iss s VAL 16 CO 0.12 -0.15 0.15 -0.89 -3.33 0.00 0.00 175.10 171.00 3iss s THR 17 N -0.70 5.25 0.05 5.04 2.01 -1.26 -0.40 115.64 125.63 3iss s THR 17 Ca -0.08 0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.76 3iss s THR 17 Cb -0.04 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3iss s THR 17 CO 0.03 0.36 1.10 -0.63 -0.69 0.00 0.00 174.62 174.78 3iss s ILE 18 N 1.03 4.34 0.88 1.82 -1.09 0.25 -4.93 121.20 123.49 3iss s ILE 18 Ca 0.07 1.72 -0.12 0.00 -2.23 0.00 0.00 60.65 60.09 3iss s ILE 18 Cb -0.13 -4.10 0.12 0.00 -1.58 0.00 0.00 42.46 36.76 3iss s ILE 18 CO 0.04 0.16 1.15 -0.44 -1.23 0.00 0.00 174.94 174.62 3iss s SER 19 N 0.86 3.82 0.63 3.58 0.01 -1.26 -4.84 113.70 116.50 3iss s SER 19 Ca 0.55 0.91 -0.18 0.00 1.31 0.00 0.00 55.95 58.54 3iss s SER 19 Cb -0.26 -1.47 -0.02 0.00 0.21 0.00 0.00 66.02 64.49 3iss s SER 19 CO 0.29 -2.35 1.21 -0.83 0.41 0.00 0.00 173.24 171.97 3iss s GLY 20 N -4.19 2.64 -0.17 3.44 0.00 -1.23 -1.87 107.32 105.93 3iss s GLY 20 Ca 0.63 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 46.04 3iss s GLY 20 CO 0.52 1.37 1.79 0.00 0.00 0.00 0.00 173.10 176.78 3iss s ALA 21 N -1.70 3.24 0.25 3.20 0.00 -0.04 -4.35 121.76 122.36 3iss s ALA 21 Ca 0.77 0.70 -0.02 0.00 0.00 0.00 0.00 51.96 53.40 3iss s ALA 21 Cb -0.30 -3.89 0.51 0.00 0.00 0.00 0.00 23.12 19.44 3iss s ALA 21 CO 0.37 -2.02 1.74 -0.22 0.00 0.00 0.00 175.76 175.63 3iss h LYS 22 N 11.46 0.49 -0.13 0.00 3.64 -1.91 -0.01 116.57 130.11 3iss h LYS 22 Ca -0.38 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 3iss h LYS 22 Cb 1.19 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 3iss h LYS 22 CO 0.98 0.32 0.00 0.09 -2.27 0.00 0.00 179.45 178.57 3iss n ASN 23 N -4.96 1.03 -0.12 4.20 3.02 -1.26 -1.93 115.26 115.24 3iss n ASN 23 Ca 0.16 -1.70 -0.19 0.00 -0.03 0.00 0.00 54.58 52.81 3iss n ASN 23 Cb 0.44 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.43 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 -0.06 1.48 -0.19 5.41 0.00 -0.64 -4.41 120.51 122.10 3iss n ALA 24 Ca 0.13 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3iss n ALA 24 Cb 0.21 0.05 0.10 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.30 0.68 0.19 0.00 0.00 -0.90 -2.06 119.26 116.86 3iss h ALA 25 Ca -0.55 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 25 Cb 1.71 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.68 3iss h ALA 25 CO -0.18 -0.31 -0.09 -0.07 0.00 0.00 0.00 179.25 178.60 3iss h LEU 26 N 0.24 -0.21 -1.06 0.00 4.07 -1.63 0.06 115.31 116.78 3iss h LEU 26 Ca 0.30 -0.06 -0.06 0.00 0.08 0.00 0.00 57.88 58.14 3iss h LEU 26 Cb 0.45 0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.23 3iss h LEU 26 CO -0.40 -0.07 -0.01 -0.65 -1.08 0.00 0.00 178.44 176.23 3iss h PRO 27 N -0.34 0.66 -0.18 1.13 0.11 -1.73 -2.75 132.00 128.90 3iss h PRO 27 Ca -0.03 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.90 3iss h PRO 27 Cb 0.26 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3iss h PRO 27 CO 0.04 0.68 0.03 0.82 -0.21 0.00 0.00 178.00 179.36 3iss h ILE 28 N 0.62 1.23 -0.92 4.15 2.04 -1.16 0.21 117.51 123.68 3iss h ILE 28 Ca 0.13 -0.73 0.19 0.00 1.00 0.00 0.00 64.86 65.44 3iss h ILE 28 Cb 0.40 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.78 3iss h ILE 28 CO 0.02 0.22 0.60 -0.07 0.00 0.00 0.00 178.15 178.92 3iss h LEU 29 N 0.08 0.53 0.00 1.44 4.07 -0.80 -0.04 115.31 120.59 3iss h LEU 29 Ca 0.05 0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.93 3iss h LEU 29 Cb 0.31 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.99 3iss h LEU 29 CO 0.00 0.22 -0.84 -0.26 -1.08 0.00 0.00 178.44 176.48 3iss h PHE 30 N 0.53 0.00 0.00 1.13 0.04 -1.19 -3.17 116.94 114.28 3iss h PHE 30 Ca 0.49 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 61.20 3iss h PHE 30 Cb 1.03 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.18 3iss h PHE 30 CO -0.00 0.57 -0.28 0.00 -0.60 0.00 0.00 178.31 178.00 3iss h ALA 31 N 1.43 1.09 -0.14 2.45 0.00 0.83 -2.79 119.26 122.11 3iss h ALA 31 Ca -0.06 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.64 3iss h ALA 31 Cb 1.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3iss h ALA 31 CO 0.07 0.35 0.16 0.00 0.00 0.00 0.00 179.25 179.83 3iss h ALA 32 N 1.72 1.76 0.00 0.00 0.00 -1.17 -0.78 119.26 120.78 3iss h ALA 32 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3iss h ALA 32 Cb 0.73 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3iss h ALA 32 CO 0.04 -0.23 0.03 -0.07 0.00 0.00 0.00 179.25 179.02 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.66 0.88 115.31 117.91 3iss h LEU 33 Ca 0.07 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3iss h LEU 33 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3iss h LEU 33 CO -0.00 0.00 -0.51 -0.07 0.09 0.00 0.00 178.44 177.95 3iss h LEU 34 N 0.00 0.00 -9.76 1.67 3.38 -1.36 -3.47 115.31 105.77 3iss h LEU 34 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3iss h LEU 34 Cb 0.07 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.83 3iss h LEU 34 CO 0.00 0.46 0.45 0.00 0.09 0.00 0.00 178.44 179.44 3iss s ALA 35 N -2.98 3.39 -0.50 1.53 0.00 0.30 -4.44 121.76 119.05 3iss s ALA 35 Ca 0.04 0.83 0.21 0.00 0.00 0.00 0.00 51.96 53.03 3iss s ALA 35 Cb 0.07 -3.31 -0.27 0.00 0.00 0.00 0.00 23.12 19.61 3iss s ALA 35 CO 0.74 -0.11 0.66 0.39 0.00 0.00 0.00 175.76 177.45 3iss n GLU 36 N 1.55 0.45 -4.42 0.00 1.02 -0.38 -4.43 120.64 114.42 3iss n GLU 36 Ca -0.00 -0.10 -0.21 0.00 -0.02 0.00 0.00 57.16 56.83 3iss n GLU 36 Cb 0.45 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.29 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 -3.19 1.54 0.90 3.49 0.41 -1.23 -4.68 118.70 115.93 3iss s GLU 37 Ca 0.00 -1.74 -0.11 0.00 -0.41 0.00 0.00 54.97 52.71 3iss s GLU 37 Cb 0.14 -1.33 0.13 0.00 -1.78 0.00 0.00 34.13 31.30 3iss s GLU 37 CO 0.86 0.15 1.10 -2.14 -0.49 0.00 0.00 175.26 174.74 3iss s PRO 38 N -3.65 1.18 -0.07 0.39 0.02 -1.26 -3.86 135.00 127.75 3iss s PRO 38 Ca 0.28 1.19 -0.17 0.00 0.02 0.00 0.00 61.00 62.32 3iss s PRO 38 Cb 0.01 -1.77 0.04 0.00 0.02 0.00 0.00 34.50 32.79 3iss s PRO 38 CO 0.11 -2.40 0.40 0.54 -0.33 0.00 0.00 177.00 175.33 3iss s VAL 39 N -2.76 0.03 -0.13 3.83 0.11 -0.54 -2.39 120.40 118.54 3iss s VAL 39 Ca 0.65 -0.24 0.01 0.00 -2.93 0.00 0.00 61.98 59.46 3iss s VAL 39 Cb -0.20 -0.66 0.02 0.00 -1.53 0.00 0.00 36.38 34.01 3iss s VAL 39 CO 0.58 -0.13 -0.13 -0.70 -3.33 0.00 0.00 175.10 171.38 3iss s GLU 40 N -0.77 2.13 -0.26 1.54 2.12 -0.21 -1.12 118.70 122.14 3iss s GLU 40 Ca -0.09 -0.50 -0.08 0.00 0.36 0.00 0.00 54.97 54.66 3iss s GLU 40 Cb -0.04 -1.95 -0.03 0.00 0.26 0.00 0.00 34.13 32.37 3iss s GLU 40 CO 0.04 -0.20 0.09 0.42 -0.54 0.00 0.00 175.26 175.07 3iss s ILE 41 N 1.41 4.48 0.24 -3.70 1.09 -0.34 -1.75 121.20 122.63 3iss s ILE 41 Ca 0.02 -0.14 0.01 0.00 -1.10 0.00 0.00 60.65 59.44 3iss s ILE 41 Cb -0.13 -3.12 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 3iss s ILE 41 CO -0.08 0.30 0.42 -1.10 -0.10 0.00 0.00 174.94 174.38 3iss s GLN 42 N 1.64 3.50 -1.10 2.79 -0.21 0.68 0.40 119.66 127.35 3iss s GLN 42 Ca 0.06 -0.42 -0.06 0.00 0.02 0.00 0.00 55.36 54.96 3iss s GLN 42 Cb -0.15 -2.81 0.01 0.00 1.00 0.00 0.00 33.01 31.05 3iss s GLN 42 CO 0.05 0.35 0.95 -1.71 -2.12 0.00 0.00 175.29 172.81 3iss n ASN 43 N -1.06 -4.91 -4.71 5.90 5.15 -1.05 -2.04 115.26 112.54 3iss n ASN 43 Ca -0.06 -0.46 -0.38 0.00 -0.60 0.00 0.00 54.58 53.08 3iss n ASN 43 Cb 0.55 -4.26 -0.06 0.00 -0.53 0.00 0.00 39.78 35.47 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 -3.27 5.16 0.63 3.44 1.01 -1.02 -3.58 120.40 122.78 3iss s VAL 44 Ca 0.39 0.97 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 3iss s VAL 44 Cb -0.17 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.37 3iss s VAL 44 CO 0.60 0.28 1.14 -2.16 0.00 0.00 0.00 175.10 174.97 3iss s PRO 45 N 0.90 2.85 -0.90 2.72 0.04 -1.26 -4.79 135.00 134.57 3iss s PRO 45 Ca 0.26 1.55 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 3iss s PRO 45 Cb -0.15 -1.94 0.17 0.00 0.04 0.00 0.00 34.50 32.62 3iss s PRO 45 CO 0.10 -1.24 0.99 0.15 0.04 0.00 0.00 177.00 177.04 3iss s LYS 46 N -3.78 3.63 0.08 4.56 1.02 -1.26 -4.85 119.74 119.14 3iss s LYS 46 Ca 0.71 -2.11 0.07 0.00 0.02 0.00 0.00 55.97 54.66 3iss s LYS 46 Cb -0.24 -4.71 -0.03 0.00 -0.52 0.00 0.00 37.83 32.33 3iss s LYS 46 CO 0.37 -1.56 -0.18 -0.51 -0.92 0.00 0.00 175.35 172.55 3iss s LEU 47 N 1.51 2.27 0.49 3.17 1.43 -1.26 -4.50 118.68 121.79 3iss s LEU 47 Ca 0.27 -0.64 0.17 0.00 -1.03 0.00 0.00 54.13 52.90 3iss s LEU 47 Cb -0.07 -0.75 1.20 0.00 0.03 0.00 0.00 46.19 46.61 3iss s LEU 47 CO -0.09 0.02 2.06 0.50 0.23 0.00 0.00 176.35 179.07 3iss h LYS 48 N 4.26 0.15 -0.12 1.70 1.63 -1.66 -1.61 116.57 120.92 3iss h LYS 48 Ca -0.44 -0.01 -0.08 0.00 -0.85 0.00 0.00 60.65 59.28 3iss h LYS 48 Cb 1.18 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.77 3iss h LYS 48 CO 0.40 0.10 -0.27 -0.44 -3.45 0.00 0.00 179.45 175.79 3iss h ASP 49 N 0.16 0.22 -0.15 4.20 5.19 -1.83 -0.05 116.42 124.16 3iss h ASP 49 Ca 0.15 -0.07 -0.07 0.00 -0.62 0.00 0.00 57.03 56.43 3iss h ASP 49 Cb 0.41 -0.06 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 3iss h ASP 49 CO -0.02 0.50 -0.17 0.58 -3.12 0.00 0.00 179.24 177.01 3iss h VAL 50 N 0.20 1.35 -0.24 -1.35 2.07 -1.63 -2.46 116.25 114.20 3iss h VAL 50 Ca 0.03 -1.35 0.06 0.00 0.82 0.00 0.00 66.70 66.26 3iss h VAL 50 Cb 0.59 1.90 -0.07 0.00 -1.52 0.00 0.00 31.29 32.18 3iss h VAL 50 CO 0.04 0.40 -0.28 0.44 0.02 0.00 0.00 177.57 178.19 3iss h ASP 51 N -0.00 -0.88 -0.99 0.57 3.32 -0.91 -0.17 116.42 117.35 3iss h ASP 51 Ca 0.02 0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.30 3iss h ASP 51 Cb 0.71 0.40 -0.07 0.00 0.22 0.00 0.00 39.33 40.59 3iss h ASP 51 CO 0.04 -0.31 0.63 0.74 -1.72 0.00 0.00 179.24 178.62 3iss h THR 52 N -0.29 1.04 -0.29 0.35 2.02 -1.05 0.18 112.91 114.88 3iss h THR 52 Ca 0.13 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 3iss h THR 52 Cb 0.50 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.73 3iss h THR 52 CO -0.41 0.20 0.14 0.28 0.37 0.00 0.00 175.52 176.10 3iss h SER 53 N 1.11 0.38 -0.25 4.18 0.02 -0.86 -1.81 113.55 116.32 3iss h SER 53 Ca 0.44 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 3iss h SER 53 Cb 0.24 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 3iss h SER 53 CO -0.19 0.40 0.14 0.24 -1.14 0.00 0.00 176.83 176.28 3iss h MET 54 N 0.33 0.35 -0.83 3.45 2.07 0.03 0.22 114.93 120.55 3iss h MET 54 Ca 0.10 -0.04 0.17 0.00 -2.07 0.00 0.00 59.70 57.87 3iss h MET 54 Cb 0.13 -0.07 -0.11 0.00 -1.87 0.00 0.00 31.60 29.68 3iss h MET 54 CO -0.01 0.29 0.35 -0.22 1.07 0.00 0.00 176.91 178.39 3iss h LYS 55 N 0.30 0.44 -0.11 1.72 1.63 -0.58 0.18 116.57 120.15 3iss h LYS 55 Ca 0.09 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.82 3iss h LYS 55 Cb 0.04 -0.10 -0.00 0.00 -0.60 0.00 0.00 32.23 31.57 3iss h LYS 55 CO -0.02 0.29 -0.12 1.25 -3.45 0.00 0.00 179.45 177.41 3iss h LEU 56 N 0.45 0.29 -0.09 5.20 5.85 -0.59 -2.03 115.31 124.39 3iss h LEU 56 Ca 0.48 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3iss h LEU 56 Cb 0.80 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 3iss h LEU 56 CO -0.45 0.72 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.08 3iss h LEU 57 N -0.15 -0.66 -0.46 2.25 4.07 -0.48 -1.30 115.31 118.59 3iss h LEU 57 Ca 0.02 0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.16 3iss h LEU 57 Cb 0.65 0.29 -0.06 0.00 1.08 0.00 0.00 40.66 42.61 3iss h LEU 57 CO 0.03 -0.27 0.08 -1.28 -1.08 0.00 0.00 178.44 175.92 3iss h SER 58 N -0.30 -0.02 -0.24 -0.43 0.87 -1.01 -0.66 113.55 111.77 3iss h SER 58 Ca 0.09 0.08 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 3iss h SER 58 Cb 0.42 0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3iss h SER 58 CO -0.26 0.02 0.17 -0.61 -0.53 0.00 0.00 176.83 175.63 3iss h GLN 59 N 0.21 0.03 0.00 2.24 4.15 -0.82 0.96 115.11 121.88 3iss h GLN 59 Ca 0.23 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.64 3iss h GLN 59 Cb 0.30 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.98 3iss h GLN 59 CO -0.30 0.02 0.00 1.28 -1.93 0.00 0.00 178.83 177.89 3iss n LEU 60 N -4.47 0.35 0.00 -2.39 4.77 -0.30 -4.80 117.00 110.16 3iss n LEU 60 Ca 0.03 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 3iss n LEU 60 Cb 0.30 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3iss n LEU 60 CO 0.35 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 3iss n GLY 61 N 1.22 1.14 3.86 -0.72 0.00 0.33 -2.15 105.19 108.87 3iss n GLY 61 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3iss n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 62 N -2.00 3.15 -0.31 4.61 0.00 -0.93 -3.73 121.76 122.54 3iss s ALA 62 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 51.82 3iss s ALA 62 Cb 0.00 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 20.10 3iss s ALA 62 CO 0.00 -0.32 0.31 0.15 0.00 0.00 0.00 175.76 175.90 3iss s LYS 63 N -4.36 3.74 -0.02 0.00 3.01 0.74 -4.18 119.74 118.66 3iss s LYS 63 Ca 0.56 -0.33 0.04 0.00 -1.01 0.00 0.00 55.97 55.22 3iss s LYS 63 Cb -0.10 -3.74 -0.00 0.00 -1.01 0.00 0.00 37.83 32.97 3iss s LYS 63 CO 0.38 -0.38 -0.13 0.08 0.51 0.00 0.00 175.35 175.81 3iss s VAL 64 N 1.93 1.04 -0.19 3.17 1.01 -1.26 -0.36 120.40 125.75 3iss s VAL 64 Ca 0.11 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 3iss s VAL 64 Cb -0.16 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.38 3iss s VAL 64 CO 0.11 0.30 0.49 -1.83 0.00 0.00 0.00 175.10 174.17 3iss s GLU 65 N -0.08 0.52 0.19 2.72 -1.05 -0.69 -5.00 118.70 115.32 3iss s GLU 65 Ca 0.01 0.78 0.10 0.00 -0.15 0.00 0.00 54.97 55.71 3iss s GLU 65 Cb -0.08 0.15 -0.04 0.00 -0.44 0.00 0.00 34.13 33.73 3iss s GLU 65 CO 0.00 -0.11 -0.12 -0.98 0.95 0.00 0.00 175.26 175.00 3iss s ARG 66 N 0.83 1.95 0.00 -4.83 1.70 -1.26 -0.33 118.95 117.00 3iss s ARG 66 Ca -0.05 -1.34 0.00 0.00 -0.47 0.00 0.00 55.73 53.87 3iss s ARG 66 Cb -0.05 -2.08 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 3iss s ARG 66 CO -0.07 0.42 0.00 -0.40 -1.08 0.00 0.00 175.30 174.17 3iss n ASP 67 N 0.02 0.00 0.00 -2.89 5.68 -1.26 -4.99 116.55 113.11 3iss n ASP 67 Ca -0.11 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.18 3iss n ASP 67 Cb 0.56 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.54 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3iss n GLY 68 N 0.64 0.00 3.61 6.12 0.00 -1.26 -5.08 105.19 109.22 3iss n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3iss n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3iss s SER 69 N -1.82 3.32 -0.09 1.61 0.01 -1.26 -2.44 113.70 113.03 3iss s SER 69 Ca 0.00 -1.68 0.01 0.00 1.31 0.00 0.00 55.95 55.60 3iss s SER 69 Cb 0.00 0.53 0.02 0.00 0.21 0.00 0.00 66.02 66.78 3iss s SER 69 CO 0.00 -0.91 -0.12 -0.69 0.41 0.00 0.00 173.24 171.93 3iss s VAL 70 N -3.08 1.21 -0.21 3.43 1.01 0.16 -4.46 120.40 118.46 3iss s VAL 70 Ca 0.17 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.55 3iss s VAL 70 Cb 0.02 -1.14 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 3iss s VAL 70 CO 0.10 0.38 0.19 -1.00 0.00 0.00 0.00 175.10 174.78 3iss s HIS 71 N 1.01 3.37 -0.10 5.22 3.76 0.55 -1.20 115.29 127.90 3iss s HIS 71 Ca -0.08 0.35 0.01 0.00 -0.15 0.00 0.00 55.06 55.19 3iss s HIS 71 Cb -0.15 -2.27 0.02 0.00 1.11 0.00 0.00 32.58 31.29 3iss s HIS 71 CO -0.01 0.15 -0.11 0.42 -0.85 0.00 0.00 174.74 174.35 3iss s ILE 72 N 0.79 1.16 -0.34 0.60 1.01 -0.27 -1.70 121.20 122.45 3iss s ILE 72 Ca 0.10 -0.42 -0.00 0.00 0.00 0.00 0.00 60.65 60.32 3iss s ILE 72 Cb -0.13 -1.11 0.08 0.00 0.01 0.00 0.00 42.46 41.31 3iss s ILE 72 CO 0.03 0.38 0.06 -0.62 0.00 0.00 0.00 174.94 174.79 3iss s ASP 73 N 1.24 4.94 -0.25 3.58 -1.08 0.52 -1.47 116.67 124.15 3iss s ASP 73 Ca -0.03 -1.71 0.13 0.00 -0.52 0.00 0.00 52.55 50.42 3iss s ASP 73 Cb -0.14 -1.72 0.66 0.00 -1.46 0.00 0.00 42.92 40.27 3iss s ASP 73 CO -0.03 -0.37 1.62 0.00 0.52 0.00 0.00 175.17 176.91 3iss n ALA 74 N 4.52 3.83 -0.10 3.66 0.00 -1.26 -0.18 120.51 130.98 3iss n ALA 74 Ca -0.06 -2.33 -0.12 0.00 0.00 0.00 0.00 53.44 50.93 3iss n ALA 74 Cb 0.42 -0.97 -0.04 0.00 0.00 0.00 0.00 19.45 18.86 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 2.46 0.56 -0.74 0.00 3.08 -1.83 -3.25 114.38 114.65 3iss h ARG 75 Ca 0.11 -0.21 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 3iss h ARG 75 Cb 1.87 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.84 3iss h ARG 75 CO 0.47 0.75 0.11 -0.25 -1.07 0.00 0.00 179.97 179.98 3iss n ASP 76 N -4.50 4.49 -4.70 7.04 8.00 -1.26 -4.95 116.55 120.68 3iss n ASP 76 Ca -0.03 -2.85 -0.43 0.00 0.71 0.00 0.00 54.79 52.20 3iss n ASP 76 Cb 0.31 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3iss n ASP 76 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3iss n VAL 77 N 0.22 0.23 -0.86 2.53 0.31 -1.23 -4.72 118.33 114.81 3iss n VAL 77 Ca 0.27 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.56 3iss n VAL 77 Cb 1.09 -2.04 0.00 0.00 -0.91 0.00 0.00 33.84 31.98 3iss n VAL 77 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3iss n ASN 78 N 5.01 0.00 -4.38 4.52 6.94 -0.91 -5.00 115.26 121.44 3iss n ASN 78 Ca 0.17 -0.74 -0.30 0.00 -0.02 0.00 0.00 54.58 53.70 3iss n ASN 78 Cb 0.36 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.64 3iss n ASN 78 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3iss s VAL 79 N 0.00 2.26 -0.12 3.53 0.11 -0.93 -5.06 120.40 120.19 3iss s VAL 79 Ca 0.00 -1.56 0.17 0.00 -2.93 0.00 0.00 61.98 57.66 3iss s VAL 79 Cb 0.00 -1.95 0.41 0.00 -1.53 0.00 0.00 36.38 33.32 3iss s VAL 79 CO 0.00 0.22 1.19 0.49 -3.33 0.00 0.00 175.10 173.68 3iss n PHE 80 N 1.32 0.00 -4.52 1.54 3.72 -1.26 -4.70 117.46 113.55 3iss n PHE 80 Ca -0.17 -1.05 -0.24 0.00 -0.05 0.00 0.00 57.45 55.93 3iss n PHE 80 Cb 0.52 -0.20 -0.17 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.69 3.46 0.55 0.00 0.00 0.10 -4.89 121.76 121.67 3iss s ALA 82 Ca -0.14 -2.05 -0.18 0.00 0.00 0.00 0.00 51.96 49.59 3iss s ALA 82 Cb -0.16 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.57 3iss s ALA 82 CO 0.03 -2.06 1.08 -1.25 0.00 0.00 0.00 175.76 173.57 3iss s PRO 83 N 2.35 3.42 0.27 0.00 0.04 -1.26 -2.30 135.00 137.51 3iss s PRO 83 Ca 0.11 1.42 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 3iss s PRO 83 Cb -0.23 -2.03 0.49 0.00 0.04 0.00 0.00 34.50 32.77 3iss s PRO 83 CO 0.08 -0.76 1.45 0.98 0.04 0.00 0.00 177.00 178.79 3iss n TYR 84 N -1.49 0.40 0.24 0.56 9.36 -1.26 -1.22 117.16 123.74 3iss n TYR 84 Ca 0.10 1.13 0.13 0.00 3.32 0.00 0.00 57.90 62.58 3iss n TYR 84 Cb 0.52 -1.08 0.77 0.00 -0.63 0.00 0.00 39.34 38.93 3iss n TYR 84 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3iss h ASP 85 N 0.00 0.00 0.00 2.98 3.32 -2.00 -1.24 116.42 119.47 3iss h ASP 85 Ca 0.47 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.44 3iss h ASP 85 Cb 0.79 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3iss h ASP 85 CO -0.94 0.00 -0.64 -0.07 -1.72 0.00 0.00 179.24 175.87 3iss h LEU 86 N 0.00 0.00 -0.97 1.55 4.07 -1.53 -3.37 115.31 115.06 3iss h LEU 86 Ca 0.04 -0.29 0.23 0.00 0.08 0.00 0.00 57.88 57.94 3iss h LEU 86 Cb 0.20 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 41.82 3iss h LEU 86 CO -0.00 1.00 0.55 0.58 -1.08 0.00 0.00 178.44 179.49 3iss h VAL 87 N -1.00 0.56 0.00 1.22 2.07 -1.31 0.28 116.25 118.08 3iss h VAL 87 Ca -0.12 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3iss h VAL 87 Cb 0.77 -0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3iss h VAL 87 CO -0.07 0.11 -0.09 0.07 0.02 0.00 0.00 177.57 177.60 3iss h LYS 88 N 0.58 0.00 0.00 1.57 2.10 -1.41 -0.73 116.57 118.68 3iss h LYS 88 Ca 0.61 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.26 3iss h LYS 88 Cb 1.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.44 3iss h LYS 88 CO -0.46 0.09 -0.65 0.25 -2.00 0.00 0.00 179.45 176.68 3iss n THR 89 N -3.83 0.20 -3.15 0.07 -2.24 0.94 -4.76 114.28 101.52 3iss n THR 89 Ca -0.02 -0.18 0.04 0.00 -2.27 0.00 0.00 64.05 61.62 3iss n THR 89 Cb 0.19 0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.12 0.52 0.10 -0.78 1.75 -0.29 -5.03 119.30 112.46 3iss s MET 90 Ca 0.07 0.47 0.12 0.00 -1.25 0.00 0.00 55.69 55.10 3iss s MET 90 Cb 0.15 0.22 0.56 0.00 2.84 0.00 0.00 34.83 38.60 3iss s MET 90 CO 0.73 -0.97 1.37 2.89 -0.65 0.00 0.00 175.02 178.39 3iss n ARG 91 N 5.34 0.06 0.21 4.11 1.85 -1.16 -1.33 116.66 125.73 3iss n ARG 91 Ca 0.06 0.44 0.15 0.00 -1.00 0.00 0.00 57.85 57.50 3iss n ARG 91 Cb 0.55 -1.65 0.65 0.00 -1.05 0.00 0.00 32.46 30.96 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss h ALA 92 N 2.19 1.00 -1.16 2.89 0.00 -1.96 -2.71 119.26 119.51 3iss h ALA 92 Ca 0.00 0.00 0.34 0.00 0.00 0.00 0.00 54.91 55.25 3iss h ALA 92 Cb 0.13 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 3iss h ALA 92 CO 0.00 0.00 0.84 0.77 0.00 0.00 0.00 179.25 180.86 3iss h SER 93 N 0.00 0.00 -0.52 0.00 0.02 -1.54 -0.48 113.55 111.04 3iss h SER 93 Ca 0.00 0.00 0.15 0.00 -0.84 0.00 0.00 61.79 61.10 3iss h SER 93 Cb 0.33 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 3iss h SER 93 CO 0.00 0.00 0.62 -0.29 -1.14 0.00 0.00 176.83 176.02 3iss h ILE 94 N 0.00 0.25 0.00 3.27 6.09 -1.73 0.25 117.51 125.64 3iss h ILE 94 Ca 0.55 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.04 3iss h ILE 94 Cb 2.22 0.49 0.00 0.00 0.47 0.00 0.00 36.82 40.00 3iss h ILE 94 CO -0.01 0.00 0.00 0.79 -3.07 0.00 0.00 178.15 175.86 3iss n TRP 95 N -3.52 0.15 0.04 2.19 8.01 -0.19 -2.13 117.44 121.99 3iss n TRP 95 Ca 0.10 0.07 -0.06 0.00 -1.31 0.00 0.00 57.50 56.30 3iss n TRP 95 Cb 0.81 -0.61 0.13 0.00 -2.01 0.00 0.00 31.31 29.63 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 2.20 0.88 -0.23 6.99 0.00 -1.18 -3.34 119.26 124.57 3iss h ALA 96 Ca 0.00 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 96 Cb 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 3iss h ALA 96 CO 0.00 0.66 -0.45 1.25 0.00 0.00 0.00 179.25 180.71 3iss h LEU 97 N 0.31 -1.44 -0.02 0.00 5.85 -1.65 -2.50 115.31 115.86 3iss h LEU 97 Ca 0.01 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.95 3iss h LEU 97 Cb 0.98 0.60 -0.04 0.00 0.37 0.00 0.00 40.66 42.56 3iss h LEU 97 CO 0.08 -0.42 -0.41 1.23 -0.34 0.00 0.00 178.44 178.59 3iss h GLY 98 N -0.45 -1.20 0.64 3.75 0.00 -1.78 -2.06 103.07 101.96 3iss h GLY 98 Ca 0.09 0.66 0.06 0.00 0.00 0.00 0.00 47.33 48.13 3iss h GLY 98 CO -0.47 -0.30 0.29 -2.55 0.00 0.00 0.00 176.54 173.52 3iss h PRO 99 N -0.50 0.53 -0.39 4.80 0.11 -1.74 -1.13 132.00 133.69 3iss h PRO 99 Ca 0.01 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.16 3iss h PRO 99 Cb 0.54 -0.12 -0.06 0.00 0.11 0.00 0.00 31.00 31.47 3iss h PRO 99 CO -0.29 0.35 0.01 -0.07 -0.21 0.00 0.00 178.00 177.80 3iss h LEU 100 N 0.55 -0.13 -0.59 2.35 3.38 -1.17 -0.59 115.31 119.12 3iss h LEU 100 Ca 0.27 0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.18 3iss h LEU 100 Cb 0.20 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3iss h LEU 100 CO -0.20 -0.03 -0.45 0.58 0.09 0.00 0.00 178.44 178.44 3iss h VAL 101 N 0.12 1.30 -0.56 1.22 2.07 -0.95 -0.35 116.25 119.10 3iss h VAL 101 Ca 0.19 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 3iss h VAL 101 Cb 0.26 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 3iss h VAL 101 CO -0.30 0.52 0.29 0.00 0.02 0.00 0.00 177.57 178.09 3iss h ALA 102 N 1.01 0.72 0.08 1.67 0.00 -0.68 -2.16 119.26 119.90 3iss h ALA 102 Ca 0.03 -0.11 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 3iss h ALA 102 Cb 0.97 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 3iss h ALA 102 CO 0.09 0.26 -1.95 -2.13 0.00 0.00 0.00 179.25 175.51 3iss n ARG 103 N -4.58 0.70 0.00 0.00 0.63 -0.28 -4.52 116.66 108.61 3iss n ARG 103 Ca 0.03 0.31 0.07 0.00 -0.92 0.00 0.00 57.85 57.34 3iss n ARG 103 Cb 0.10 -1.68 0.05 0.00 0.45 0.00 0.00 32.46 31.38 3iss n ARG 103 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 104 N -3.69 0.00 -0.90 -0.14 3.72 -0.15 -4.99 117.46 111.32 3iss n PHE 104 Ca -0.35 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.05 3iss n PHE 104 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 0.80 0.63 3.26 1.37 0.00 -0.81 -4.98 105.19 105.46 3iss n GLY 105 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.34 0.95 -0.29 1.61 -2.07 -1.25 -1.24 119.66 117.02 3iss s GLN 106 Ca 0.00 -0.92 -0.23 0.00 -1.82 0.00 0.00 55.36 52.39 3iss s GLN 106 Cb 0.00 0.38 0.16 0.00 -1.09 0.00 0.00 33.01 32.46 3iss s GLN 106 CO 0.00 -0.33 1.19 0.20 -1.32 0.00 0.00 175.29 175.03 3iss s GLY 107 N -2.86 0.12 -0.17 2.60 0.00 -0.58 -3.22 107.32 103.21 3iss s GLY 107 Ca 0.06 3.15 -0.00 0.00 0.00 0.00 0.00 44.72 47.92 3iss s GLY 107 CO -0.10 2.05 -0.07 1.20 0.00 0.00 0.00 173.10 176.18 3iss s GLN 108 N 0.37 1.64 -0.04 2.90 1.11 0.24 -0.28 119.66 125.61 3iss s GLN 108 Ca 0.02 -0.58 0.05 0.00 0.01 0.00 0.00 55.36 54.86 3iss s GLN 108 Cb -0.05 -2.08 -0.01 0.00 -1.01 0.00 0.00 33.01 29.86 3iss s GLN 108 CO -0.11 -0.41 -0.19 0.08 0.01 0.00 0.00 175.29 174.67 3iss s VAL 109 N 1.57 1.58 0.21 1.09 1.01 -0.64 -0.72 120.40 124.51 3iss s VAL 109 Ca 0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 61.98 60.86 3iss s VAL 109 Cb -0.15 -1.34 -0.11 0.00 0.00 0.00 0.00 36.38 34.78 3iss s VAL 109 CO -0.08 0.45 1.59 -0.55 0.00 0.00 0.00 175.10 176.51 3iss s SER 110 N -0.12 6.50 -0.09 3.32 0.15 -0.97 -0.18 113.70 122.31 3iss s SER 110 Ca -0.01 2.75 -0.30 0.00 0.70 0.00 0.00 55.95 59.09 3iss s SER 110 Cb -0.11 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 3iss s SER 110 CO 0.02 -0.86 1.47 -0.22 1.20 0.00 0.00 173.24 174.84 3iss s LEU 111 N 0.61 4.27 0.31 3.45 1.98 -0.10 -4.82 118.68 124.37 3iss s LEU 111 Ca 0.68 2.00 -0.29 0.00 -2.89 0.00 0.00 54.13 53.63 3iss s LEU 111 Cb -0.46 -3.54 -0.11 0.00 0.66 0.00 0.00 46.19 42.74 3iss s LEU 111 CO 0.36 -0.83 1.53 -2.84 -1.89 0.00 0.00 176.35 172.68 3iss s PRO 112 N 3.61 4.15 0.00 0.98 0.02 -1.26 -5.00 135.00 137.51 3iss s PRO 112 Ca 0.65 2.52 0.00 0.00 0.02 0.00 0.00 61.00 64.18 3iss s PRO 112 Cb -0.28 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3iss s PRO 112 CO 0.23 -0.55 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3iss n GLY 113 N 1.69 1.29 3.82 0.52 0.00 -1.26 -5.01 105.19 106.24 3iss n GLY 113 Ca 0.06 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.11 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 2.21 0.09 -0.02 0.00 -1.26 -4.91 107.32 103.42 3iss s GLY 114 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 44.72 45.14 3iss s GLY 114 CO 0.00 0.62 -0.22 0.00 0.00 0.00 0.00 173.10 173.51 3iss h THR 116 N 4.14 0.00 0.00 0.00 1.35 -1.97 -3.15 112.91 113.27 3iss h THR 116 Ca -0.46 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 3iss h THR 116 Cb 1.17 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3iss h THR 116 CO 0.41 0.00 -0.48 2.30 -0.25 0.00 0.00 175.52 177.50 3iss n ILE 117 N -3.02 0.11 -0.71 6.82 -5.35 -1.26 -4.89 119.36 111.07 3iss n ILE 117 Ca -0.01 -0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3iss n ILE 117 Cb 0.19 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.13 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 1.45 0.05 3.70 3.28 0.00 -1.19 -3.44 105.19 109.04 3iss n GLY 118 Ca 0.05 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 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 -1.13 3.77 -0.40 4.61 0.00 -1.26 -4.33 121.76 123.01 3iss s ALA 119 Ca 0.00 1.37 0.12 0.00 0.00 0.00 0.00 51.96 53.45 3iss s ALA 119 Cb 0.00 -3.70 0.37 0.00 0.00 0.00 0.00 23.12 19.78 3iss s ALA 119 CO 0.00 -1.05 0.81 0.54 0.00 0.00 0.00 175.76 176.06 3iss n ARG 120 N 5.07 1.43 -1.18 0.00 1.74 -1.26 -5.05 116.66 117.40 3iss n ARG 120 Ca 0.16 -3.63 -0.32 0.00 -0.77 0.00 0.00 57.85 53.29 3iss n ARG 120 Cb 0.39 -1.75 0.11 0.00 -1.02 0.00 0.00 32.46 30.19 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 -2.73 1.98 -0.18 5.56 0.04 -1.26 -4.98 135.00 133.43 3iss s PRO 121 Ca 0.40 1.36 0.13 0.00 0.04 0.00 0.00 61.00 62.93 3iss s PRO 121 Cb 0.36 -1.85 0.39 0.00 0.04 0.00 0.00 34.50 33.43 3iss s PRO 121 CO -0.08 -1.88 1.20 1.33 0.04 0.00 0.00 177.00 177.61 3iss n VAL 122 N -3.50 2.00 -0.34 -0.36 0.24 -1.26 -4.81 118.33 110.30 3iss n VAL 122 Ca 0.10 -2.89 0.15 0.00 -2.04 0.00 0.00 64.34 59.66 3iss n VAL 122 Cb 0.52 -0.16 0.36 0.00 -1.47 0.00 0.00 33.84 33.09 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 0.79 0.72 -0.01 -1.34 2.03 -2.00 -1.81 116.42 114.79 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 1.05 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.50 3iss h ASP 123 CO 0.01 0.24 -0.25 -0.07 -1.03 0.00 0.00 179.24 178.14 3iss h LEU 124 N 0.69 0.42 0.21 0.15 3.38 -1.99 -0.36 115.31 117.83 3iss h LEU 124 Ca 0.57 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3iss h LEU 124 Cb 0.99 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3iss h LEU 124 CO -0.36 0.68 -0.10 0.45 0.09 0.00 0.00 178.44 179.19 3iss h HIS 125 N 0.38 -0.26 0.09 1.13 3.86 -1.67 -1.86 115.15 116.81 3iss h HIS 125 Ca 0.06 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 3iss h HIS 125 Cb 0.65 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.19 3iss h HIS 125 CO 0.02 -0.00 -0.14 0.82 0.86 0.00 0.00 177.93 179.49 3iss h ILE 126 N -0.50 0.68 -0.92 2.45 2.04 -1.34 -2.28 117.51 117.64 3iss h ILE 126 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3iss h ILE 126 Cb 0.38 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 3iss h ILE 126 CO 0.05 0.00 0.59 -1.28 0.00 0.00 0.00 178.15 177.51 3iss h SER 127 N -0.28 0.97 -0.80 1.72 0.87 -1.12 -1.03 113.55 113.87 3iss h SER 127 Ca 0.02 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.56 3iss h SER 127 Cb 0.29 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.00 3iss h SER 127 CO -0.07 0.65 0.42 1.23 -0.53 0.00 0.00 176.83 178.53 3iss h GLY 128 N 1.12 1.21 1.25 5.77 0.00 -1.07 -1.27 103.07 110.08 3iss h GLY 128 Ca 0.38 -0.57 -0.16 0.00 0.00 0.00 0.00 47.33 46.99 3iss h GLY 128 CO -0.14 0.54 -0.42 1.41 0.00 0.00 0.00 176.54 177.94 3iss h LEU 129 N 1.12 0.88 -1.16 3.11 3.38 -0.80 -2.27 115.31 119.58 3iss h LEU 129 Ca 0.28 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 3iss h LEU 129 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3iss h LEU 129 CO -0.04 1.18 0.04 -0.33 0.09 0.00 0.00 178.44 179.37 3iss h GLU 130 N 0.67 0.62 0.00 1.13 5.08 -0.97 -1.31 114.58 119.80 3iss h GLU 130 Ca 0.05 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3iss h GLU 130 Cb 0.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3iss h GLU 130 CO 0.09 0.62 -0.18 0.37 -1.00 0.00 0.00 179.01 178.91 3iss h GLN 131 N 0.60 0.00 -0.32 2.33 4.15 -0.97 -1.07 115.11 119.84 3iss h GLN 131 Ca 0.13 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.55 3iss h GLN 131 Cb 0.32 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.01 3iss h GLN 131 CO 0.01 0.18 0.00 1.28 -1.93 0.00 0.00 178.83 178.36 3iss n LEU 132 N -3.31 1.67 0.00 -2.39 4.77 -0.66 -4.77 117.00 112.31 3iss n LEU 132 Ca 0.01 -0.83 0.00 0.00 -0.03 0.00 0.00 56.01 55.15 3iss n LEU 132 Cb 0.42 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3iss n LEU 132 CO 0.32 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.41 3iss n GLY 133 N 0.98 0.68 3.87 -0.72 0.00 -0.41 -1.84 105.19 107.76 3iss n GLY 133 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3iss n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 134 N -2.13 3.17 -0.08 4.61 0.00 -0.59 -4.86 121.76 121.89 3iss s ALA 134 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.92 3iss s ALA 134 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3iss s ALA 134 CO 0.00 -0.36 -0.18 -0.08 0.00 0.00 0.00 175.76 175.14 3iss s THR 135 N -2.78 2.69 -0.01 0.00 -1.32 -0.59 -4.20 115.64 109.42 3iss s THR 135 Ca 0.55 -0.83 0.03 0.00 -1.21 0.00 0.00 61.69 60.22 3iss s THR 135 Cb -0.10 -2.05 -0.01 0.00 -1.51 0.00 0.00 72.50 68.83 3iss s THR 135 CO 0.41 0.56 -0.09 -0.63 -2.21 0.00 0.00 174.62 172.66 3iss s ILE 136 N -0.18 0.73 0.05 5.08 1.01 -1.26 -2.02 121.20 124.61 3iss s ILE 136 Ca -0.01 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 3iss s ILE 136 Cb -0.13 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.68 3iss s ILE 136 CO 0.03 0.21 -0.02 -1.59 0.00 0.00 0.00 174.94 173.58 3iss s LYS 137 N -0.15 0.62 -0.26 2.79 -2.85 -0.54 -4.98 119.74 114.36 3iss s LYS 137 Ca 0.03 -1.20 0.00 0.00 -1.00 0.00 0.00 55.97 53.80 3iss s LYS 137 Cb -0.04 0.22 0.05 0.00 -2.06 0.00 0.00 37.83 35.99 3iss s LYS 137 CO -0.00 -0.12 -0.07 -1.17 0.10 0.00 0.00 175.35 174.08 3iss s LEU 138 N -2.90 3.41 -0.01 2.77 2.96 -1.26 0.20 118.68 123.85 3iss s LEU 138 Ca 0.07 -1.18 0.02 0.00 -0.22 0.00 0.00 54.13 52.82 3iss s LEU 138 Cb 0.08 -1.62 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 3iss s LEU 138 CO -0.10 -0.18 -0.05 -1.83 -1.32 0.00 0.00 176.35 172.87 3iss s GLU 139 N 1.21 0.48 -1.77 1.98 -1.05 -0.62 -4.81 118.70 114.13 3iss s GLU 139 Ca -0.05 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 3iss s GLU 139 Cb -0.19 -0.48 0.00 0.00 -0.44 0.00 0.00 34.13 33.03 3iss s GLU 139 CO -0.04 0.10 0.00 0.39 0.95 0.00 0.00 175.26 176.66 3iss n GLU 140 N 3.06 -1.67 -0.81 -4.83 1.02 -1.26 -1.34 120.64 114.81 3iss n GLU 140 Ca -0.14 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 57.99 3iss n GLU 140 Cb 0.57 -5.54 0.00 0.00 -0.02 0.00 0.00 31.44 26.45 3iss n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iss n GLY 141 N -0.75 0.86 3.75 0.62 0.00 -1.26 -5.03 105.19 103.37 3iss n GLY 141 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.38 3.42 -0.40 1.61 2.02 -0.45 -0.93 117.35 119.24 3iss s TYR 142 Ca 0.00 0.32 -0.26 0.00 -0.37 0.00 0.00 57.07 56.76 3iss s TYR 142 Cb 0.00 -2.08 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 3iss s TYR 142 CO 0.00 0.38 0.95 0.54 -1.57 0.00 0.00 175.55 175.84 3iss s VAL 143 N -0.02 4.53 -0.31 0.71 0.11 0.74 -1.59 120.40 124.57 3iss s VAL 143 Ca 0.09 1.10 -0.08 0.00 -2.93 0.00 0.00 61.98 60.16 3iss s VAL 143 Cb -0.11 -4.38 0.01 0.00 -1.53 0.00 0.00 36.38 30.36 3iss s VAL 143 CO -0.00 -0.64 0.11 -0.54 -3.33 0.00 0.00 175.10 170.70 3iss s LYS 144 N 3.62 3.07 0.04 1.54 1.02 0.13 -1.62 119.74 127.54 3iss s LYS 144 Ca 0.39 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.53 3iss s LYS 144 Cb -0.11 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 3iss s LYS 144 CO 0.21 -0.49 -0.05 0.00 -0.92 0.00 0.00 175.35 174.10 3iss s ALA 145 N 1.52 3.09 -0.01 5.17 0.00 0.61 -1.47 121.76 130.68 3iss s ALA 145 Ca 0.03 -1.07 -0.22 0.00 0.00 0.00 0.00 51.96 50.70 3iss s ALA 145 Cb -0.18 -1.13 0.04 0.00 0.00 0.00 0.00 23.12 21.86 3iss s ALA 145 CO 0.04 0.64 0.48 -1.54 0.00 0.00 0.00 175.76 175.37 3iss s SER 146 N -1.74 -0.39 -0.11 0.00 1.04 -0.86 -1.53 113.70 110.11 3iss s SER 146 Ca 0.20 0.28 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 3iss s SER 146 Cb -0.11 0.43 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3iss s SER 146 CO 0.11 -0.58 0.27 0.54 0.98 0.00 0.00 173.24 174.57 3iss s VAL 147 N -1.65 -0.03 -0.64 5.02 0.11 -0.37 -1.54 120.40 121.30 3iss s VAL 147 Ca -0.10 0.11 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 3iss s VAL 147 Cb -0.02 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.43 3iss s VAL 147 CO 0.04 0.04 1.51 -0.62 -3.33 0.00 0.00 175.10 172.74 3iss s ASP 148 N 1.02 5.88 0.28 3.54 2.15 -1.26 -4.70 116.67 123.57 3iss s ASP 148 Ca -0.07 0.06 0.00 0.00 0.43 0.00 0.00 52.55 52.97 3iss s ASP 148 Cb -0.08 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 39.99 3iss s ASP 148 CO -0.07 -1.96 0.00 0.61 -0.17 0.00 0.00 175.17 173.58 3iss n GLY 149 N 5.44 0.71 3.61 2.66 0.00 -1.26 -4.95 105.19 111.39 3iss n GLY 149 Ca 0.12 -1.17 -0.25 0.00 0.00 0.00 0.00 46.02 44.71 3iss n GLY 149 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iss s ARG 150 N 0.00 1.99 0.81 1.61 1.70 -1.26 -4.68 118.95 119.12 3iss s ARG 150 Ca 0.00 -1.86 -0.11 0.00 -0.47 0.00 0.00 55.73 53.29 3iss s ARG 150 Cb 0.00 -1.83 0.08 0.00 -0.57 0.00 0.00 34.95 32.63 3iss s ARG 150 CO 0.00 0.10 1.09 -0.51 -1.08 0.00 0.00 175.30 174.90 3iss s LEU 151 N -3.69 2.77 -0.12 -1.89 1.43 -1.26 -4.81 118.68 111.10 3iss s LEU 151 Ca 0.34 1.67 0.03 0.00 -1.03 0.00 0.00 54.13 55.14 3iss s LEU 151 Cb 0.02 -4.29 0.00 0.00 0.03 0.00 0.00 46.19 41.96 3iss s LEU 151 CO 0.18 -2.18 -0.22 -0.54 0.23 0.00 0.00 176.35 173.82 3iss s LYS 152 N -4.94 3.05 0.45 1.70 1.02 -0.76 0.36 119.74 120.61 3iss s LYS 152 Ca 0.62 -0.86 -0.22 0.00 0.02 0.00 0.00 55.97 55.53 3iss s LYS 152 Cb -0.17 -2.39 -0.12 0.00 -0.52 0.00 0.00 37.83 34.64 3iss s LYS 152 CO 0.56 0.08 0.60 0.41 -0.92 0.00 0.00 175.35 176.08 3iss n GLY 153 N 3.81 -1.33 3.42 -3.33 0.00 -0.14 -4.59 105.19 103.02 3iss n GLY 153 Ca -0.19 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.49 -0.75 -0.48 4.61 0.00 -1.11 -4.77 121.76 117.77 3iss s ALA 154 Ca 0.64 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 52.11 3iss s ALA 154 Cb -0.57 0.80 0.04 0.00 0.00 0.00 0.00 23.12 23.39 3iss s ALA 154 CO 0.57 -0.72 0.62 -1.58 0.00 0.00 0.00 175.76 174.65 3iss s HIS 155 N -3.87 3.06 -0.22 0.00 2.46 -1.26 -1.05 115.29 114.41 3iss s HIS 155 Ca 0.09 -0.36 -0.03 0.00 0.47 0.00 0.00 55.06 55.23 3iss s HIS 155 Cb 0.01 -3.42 0.00 0.00 -0.13 0.00 0.00 32.58 29.04 3iss s HIS 155 CO -0.05 -0.95 -0.07 0.42 -2.47 0.00 0.00 174.74 171.61 3iss s ILE 156 N 2.67 3.06 -0.32 0.89 1.01 0.86 -4.97 121.20 124.41 3iss s ILE 156 Ca 0.17 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 60.08 3iss s ILE 156 Cb -0.17 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.90 3iss s ILE 156 CO 0.14 0.41 0.16 -0.69 0.00 0.00 0.00 174.94 174.96 3iss s VAL 157 N 1.42 4.58 -0.07 2.92 1.01 -1.26 0.05 120.40 129.05 3iss s VAL 157 Ca 0.05 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 3iss s VAL 157 Cb -0.14 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3iss s VAL 157 CO -0.05 0.04 1.08 -0.04 0.00 0.00 0.00 175.10 176.13 3iss s MET 158 N 1.60 4.41 0.17 2.72 1.00 -0.24 -4.95 119.30 124.02 3iss s MET 158 Ca 0.04 1.51 -0.16 0.00 0.00 0.00 0.00 55.69 57.09 3iss s MET 158 Cb -0.17 -3.53 0.11 0.00 0.00 0.00 0.00 34.83 31.24 3iss s MET 158 CO 0.06 -0.33 1.71 -0.44 0.00 0.00 0.00 175.02 176.02 3iss h ASP 159 N 7.17 -0.09 -4.53 3.03 3.32 -1.93 -3.44 116.42 119.95 3iss h ASP 159 Ca -0.34 0.08 -0.35 0.00 0.02 0.00 0.00 57.03 56.45 3iss h ASP 159 Cb 1.16 0.13 -0.14 0.00 0.22 0.00 0.00 39.33 40.70 3iss h ASP 159 CO 0.85 -0.01 -0.61 -1.59 -1.72 0.00 0.00 179.24 176.16 3iss s LYS 160 N -6.17 1.41 -0.17 3.56 -2.85 -1.26 -5.13 119.74 109.13 3iss s LYS 160 Ca -0.13 -1.76 -0.29 0.00 -1.00 0.00 0.00 55.97 52.78 3iss s LYS 160 Cb 0.14 -0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 35.66 3iss s LYS 160 CO 0.71 -0.30 1.11 0.08 0.10 0.00 0.00 175.35 177.05 3iss s VAL 161 N -3.77 4.54 -0.06 1.79 1.01 -1.26 -4.99 120.40 117.66 3iss s VAL 161 Ca 0.38 1.85 -0.03 0.00 0.00 0.00 0.00 61.98 64.19 3iss s VAL 161 Cb 0.08 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.30 3iss s VAL 161 CO 0.14 -0.12 0.09 -0.55 0.00 0.00 0.00 175.10 174.66 3iss s SER 162 N 1.42 1.13 0.10 3.32 0.15 -1.26 -5.01 113.70 113.55 3iss s SER 162 Ca 0.49 0.09 -0.22 0.00 0.70 0.00 0.00 55.95 57.01 3iss s SER 162 Cb -0.18 -0.03 -0.13 0.00 -1.71 0.00 0.00 66.02 63.97 3iss s SER 162 CO 0.12 -0.26 1.75 0.58 1.20 0.00 0.00 173.24 176.63 3iss h VAL 163 N 6.42 1.02 -0.05 4.45 2.07 -1.95 -2.28 116.25 125.93 3iss h VAL 163 Ca -0.13 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3iss h VAL 163 Cb 1.12 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 31.82 3iss h VAL 163 CO 0.16 0.02 0.02 1.23 0.02 0.00 0.00 177.57 179.02 3iss h GLY 164 N 0.08 0.06 1.23 2.17 0.00 -2.00 -2.11 103.07 102.50 3iss h GLY 164 Ca 0.02 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3iss h GLY 164 CO -0.00 0.02 -0.51 0.00 0.00 0.00 0.00 176.54 176.04 3iss h ALA 165 N 1.02 0.55 -0.46 3.60 0.00 -1.92 -1.42 119.26 120.63 3iss h ALA 165 Ca 0.02 -0.50 0.09 0.00 0.00 0.00 0.00 54.91 54.52 3iss h ALA 165 Cb -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3iss h ALA 165 CO -0.01 0.68 -0.05 1.15 0.00 0.00 0.00 179.25 181.02 3iss h THR 166 N 0.64 0.60 -0.40 0.00 2.02 -1.37 -0.76 112.91 113.64 3iss h THR 166 Ca 0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3iss h THR 166 Cb 1.10 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 3iss h THR 166 CO 0.11 0.01 0.17 0.58 0.37 0.00 0.00 175.52 176.77 3iss h VAL 167 N 0.06 1.19 -0.04 3.16 2.07 -1.16 -1.23 116.25 120.31 3iss h VAL 167 Ca 0.23 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3iss h VAL 167 Cb 0.34 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3iss h VAL 167 CO -0.42 0.20 -0.19 0.74 0.02 0.00 0.00 177.57 177.92 3iss h THR 168 N 0.50 0.54 0.02 2.57 2.02 -0.91 -1.60 112.91 116.05 3iss h THR 168 Ca 0.13 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.31 3iss h THR 168 Cb 0.16 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 3iss h THR 168 CO -0.01 0.00 -0.01 0.40 0.37 0.00 0.00 175.52 176.26 3iss h ILE 169 N -0.29 1.16 -0.60 3.11 2.04 -1.13 -2.07 117.51 119.73 3iss h ILE 169 Ca 0.07 -0.57 0.12 0.00 1.00 0.00 0.00 64.86 65.49 3iss h ILE 169 Cb 0.38 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 37.90 3iss h ILE 169 CO -0.21 0.14 -0.04 -0.03 0.00 0.00 0.00 178.15 178.02 3iss h MET 170 N -0.28 0.08 -0.25 2.37 4.05 -1.16 -1.25 114.93 118.49 3iss h MET 170 Ca -0.00 -0.01 -0.05 0.00 -0.28 0.00 0.00 59.70 59.36 3iss h MET 170 Cb 0.26 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 3iss h MET 170 CO 0.01 0.06 -0.04 0.00 0.23 0.00 0.00 176.91 177.16 3iss h ALA 172 N 0.78 1.47 0.00 0.00 0.00 -0.94 -2.69 119.26 117.89 3iss h ALA 172 Ca 0.07 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3iss h ALA 172 Cb 0.48 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iss h ALA 172 CO 0.02 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.56 3iss h ALA 173 N 1.54 1.17 0.00 0.00 0.00 -1.11 -3.00 119.26 117.86 3iss h ALA 173 Ca 0.25 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iss h ALA 173 Cb -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iss h ALA 173 CO -0.05 0.22 0.00 1.79 0.00 0.00 0.00 179.25 181.21 3iss h THR 174 N 0.00 0.00 -0.06 0.00 1.35 -1.46 -0.18 112.91 112.55 3iss h THR 174 Ca -0.00 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 3iss h THR 174 Cb 0.53 0.83 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 3iss h THR 174 CO 0.02 0.00 -0.08 0.18 -0.25 0.00 0.00 175.52 175.40 3iss n LEU 175 N -2.65 2.74 -4.97 3.87 4.77 -1.13 -2.19 117.00 117.44 3iss n LEU 175 Ca -0.01 -3.23 -0.21 0.00 -0.03 0.00 0.00 56.01 52.52 3iss n LEU 175 Cb 0.10 -0.47 0.03 0.00 -2.33 0.00 0.00 43.42 40.75 3iss n LEU 175 CO 0.16 0.84 0.35 0.00 -1.33 0.00 0.00 177.39 177.41 3iss s ALA 176 N -2.94 3.88 -0.45 -1.18 0.00 -0.08 -4.53 121.76 116.46 3iss s ALA 176 Ca 0.35 -1.29 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 3iss s ALA 176 Cb 0.31 -2.09 0.03 0.00 0.00 0.00 0.00 23.12 21.37 3iss s ALA 176 CO 0.02 -0.70 1.02 -1.21 0.00 0.00 0.00 175.76 174.90 3iss s GLU 177 N -4.74 3.68 0.67 0.00 2.02 0.16 -3.93 118.70 116.56 3iss s GLU 177 Ca 0.56 0.43 0.00 0.00 0.02 0.00 0.00 54.97 55.98 3iss s GLU 177 Cb -0.10 -3.89 0.00 0.00 0.10 0.00 0.00 34.13 30.23 3iss s GLU 177 CO 0.38 -1.24 0.00 0.41 0.02 0.00 0.00 175.26 174.83 3iss n GLY 178 N 4.77 -0.68 3.51 -1.39 0.00 -1.26 -0.97 105.19 109.17 3iss n GLY 178 Ca 0.09 -1.71 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 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 3.96 -0.10 2.61 2.01 -1.26 0.72 115.64 123.58 3iss s THR 179 Ca 0.00 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.64 3iss s THR 179 Cb 0.00 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 3iss s THR 179 CO 0.00 0.49 0.00 -0.89 -0.69 0.00 0.00 174.62 173.54 3iss s THR 180 N 0.32 4.29 -0.15 -0.82 2.01 0.41 -2.75 115.64 118.96 3iss s THR 180 Ca -0.03 -0.25 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3iss s THR 180 Cb -0.14 -2.82 0.02 0.00 0.01 0.00 0.00 72.50 69.57 3iss s THR 180 CO 0.03 0.59 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.78 3iss s ILE 181 N -0.69 1.51 -0.32 1.82 1.01 -0.22 -0.77 121.20 123.55 3iss s ILE 181 Ca 0.11 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 60.03 3iss s ILE 181 Cb -0.12 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.90 3iss s ILE 181 CO 0.02 0.45 0.28 -0.63 0.00 0.00 0.00 174.94 175.06 3iss s ILE 182 N 1.51 5.25 -0.11 2.92 1.01 -0.10 -0.10 121.20 131.58 3iss s ILE 182 Ca 0.05 0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 3iss s ILE 182 Cb -0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 3iss s ILE 182 CO -0.10 0.06 0.13 -1.61 0.00 0.00 0.00 174.94 173.41 3iss s GLU 183 N 1.86 3.38 -0.89 2.79 0.41 0.11 -1.72 118.70 124.64 3iss s GLU 183 Ca 0.09 -0.18 -0.03 0.00 -0.41 0.00 0.00 54.97 54.43 3iss s GLU 183 Cb -0.17 -3.13 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 3iss s GLU 183 CO 0.11 0.76 0.46 -1.71 -0.49 0.00 0.00 175.26 174.39 3iss n ASN 184 N 1.90 -4.36 -4.77 -0.19 4.05 0.03 -1.08 115.26 110.85 3iss n ASN 184 Ca -0.19 -0.21 -0.32 0.00 0.45 0.00 0.00 54.58 54.30 3iss n ASN 184 Cb 0.55 -3.15 0.06 0.00 1.23 0.00 0.00 39.78 38.47 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 -2.99 2.38 0.34 5.20 0.00 -0.27 -4.55 121.76 121.87 3iss s ALA 185 Ca 0.23 0.48 -0.26 0.00 0.00 0.00 0.00 51.96 52.41 3iss s ALA 185 Cb -0.10 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3iss s ALA 185 CO 0.28 -1.45 1.06 0.00 0.00 0.00 0.00 175.76 175.66 3iss s ALA 186 N -2.49 3.22 -1.60 0.00 0.00 -1.26 -4.52 121.76 115.11 3iss s ALA 186 Ca 0.66 0.78 0.18 0.00 0.00 0.00 0.00 51.96 53.57 3iss s ALA 186 Cb -0.20 -3.29 0.49 0.00 0.00 0.00 0.00 23.12 20.12 3iss s ALA 186 CO 0.46 -0.18 1.41 0.54 0.00 0.00 0.00 175.76 177.99 3iss n ARG 187 N 0.50 2.73 -1.59 0.00 3.00 -1.26 -4.66 116.66 115.38 3iss n ARG 187 Ca 0.02 -2.38 -0.46 0.00 -0.01 0.00 0.00 57.85 55.02 3iss n ARG 187 Cb 0.48 -1.45 -0.02 0.00 0.00 0.00 0.00 32.46 31.47 3iss n ARG 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 3iss n GLU 188 N 1.20 1.35 -0.32 5.56 4.71 -1.26 -4.60 120.64 127.28 3iss n GLU 188 Ca 0.19 0.48 0.20 0.00 -0.01 0.00 0.00 57.16 58.01 3iss n GLU 188 Cb 0.54 -1.90 0.46 0.00 -1.01 0.00 0.00 31.44 29.53 3iss n GLU 188 CO 0.00 0.00 0.00 -1.35 0.09 0.00 0.00 177.13 175.87 3iss h PRO 189 N 2.47 0.48 0.00 3.49 0.11 -1.96 0.24 132.00 136.83 3iss h PRO 189 Ca -0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3iss h PRO 189 Cb 1.34 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 3iss h PRO 189 CO 0.64 0.32 -0.14 0.93 -0.21 0.00 0.00 178.00 179.53 3iss h GLU 190 N 0.49 0.00 -0.07 1.05 3.07 -1.89 -0.87 114.58 116.36 3iss h GLU 190 Ca 0.58 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 59.25 3iss h GLU 190 Cb 1.30 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3iss h GLU 190 CO -0.32 0.14 -0.75 0.82 -1.40 0.00 0.00 179.01 177.50 3iss h ILE 191 N 0.00 1.38 0.06 3.13 2.04 -1.28 -1.57 117.51 121.27 3iss h ILE 191 Ca -0.00 -2.17 -0.00 0.00 1.00 0.00 0.00 64.86 63.69 3iss h ILE 191 Cb 0.30 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.52 3iss h ILE 191 CO 0.02 0.65 -0.03 0.58 0.00 0.00 0.00 178.15 179.37 3iss h VAL 192 N 0.28 1.07 -0.57 1.67 2.07 -1.20 -0.94 116.25 118.64 3iss h VAL 192 Ca -0.03 -0.44 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3iss h VAL 192 Cb 1.33 1.36 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 3iss h VAL 192 CO 0.13 0.11 0.24 -0.78 0.02 0.00 0.00 177.57 177.29 3iss h ASP 193 N -0.28 0.29 -0.66 0.57 3.58 -1.16 0.19 116.42 118.95 3iss h ASP 193 Ca -0.01 0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.48 3iss h ASP 193 Cb 0.24 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 3iss h ASP 193 CO 0.01 0.19 0.32 0.74 -2.88 0.00 0.00 179.24 177.62 3iss h THR 194 N 0.45 1.22 -0.48 2.25 2.02 -1.17 -0.79 112.91 116.41 3iss h THR 194 Ca 0.27 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.83 3iss h THR 194 Cb 0.27 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3iss h THR 194 CO -0.24 0.26 0.29 0.00 0.37 0.00 0.00 175.52 176.19 3iss h ALA 195 N 1.15 0.61 -0.21 6.16 0.00 -0.56 -1.81 119.26 124.60 3iss h ALA 195 Ca 0.23 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 3iss h ALA 195 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3iss h ALA 195 CO -0.03 0.11 -0.07 -0.91 0.00 0.00 0.00 179.25 178.35 3iss h ASN 196 N 0.64 0.31 -0.38 0.00 2.35 -0.41 -0.25 115.58 117.85 3iss h ASN 196 Ca 0.17 -0.06 -0.08 0.00 -0.55 0.00 0.00 56.30 55.78 3iss h ASN 196 Cb 0.00 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3iss h ASN 196 CO -0.03 0.43 -0.09 0.15 -1.65 0.00 0.00 177.43 176.23 3iss h PHE 197 N 0.32 0.82 -0.58 1.19 3.57 -1.01 -2.33 116.94 118.92 3iss h PHE 197 Ca 0.07 -0.18 -0.00 0.00 3.53 0.00 0.00 57.97 61.39 3iss h PHE 197 Cb 0.33 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3iss h PHE 197 CO 0.01 0.87 0.36 -0.07 -2.23 0.00 0.00 178.31 177.25 3iss h LEU 198 N 0.53 0.69 -0.81 0.59 3.38 -0.54 -2.48 115.31 116.68 3iss h LEU 198 Ca 0.10 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 198 Cb 0.61 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 3iss h LEU 198 CO 0.04 0.54 0.42 0.40 0.09 0.00 0.00 178.44 179.93 3iss h ILE 199 N 0.78 1.24 -0.69 1.22 2.04 -1.05 -1.16 117.51 119.89 3iss h ILE 199 Ca 0.21 -0.63 0.16 0.00 1.00 0.00 0.00 64.86 65.59 3iss h ILE 199 Cb -0.03 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.19 3iss h ILE 199 CO -0.04 0.28 0.47 0.74 0.00 0.00 0.00 178.15 179.60 3iss h THR 200 N 1.13 0.76 -0.00 -0.27 2.02 -0.97 0.13 112.91 115.70 3iss h THR 200 Ca 0.28 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.37 3iss h THR 200 Cb 0.06 0.48 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3iss h THR 200 CO -0.04 0.05 -0.07 0.18 0.37 0.00 0.00 175.52 176.00 3iss n LEU 201 N -4.44 0.33 0.00 2.58 4.77 -0.55 -4.87 117.00 114.82 3iss n LEU 201 Ca 0.13 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3iss n LEU 201 Cb 0.58 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 3iss n LEU 201 CO 0.34 0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 202 N 1.26 1.33 3.88 -0.72 0.00 0.44 -1.34 105.19 110.04 3iss n GLY 202 Ca 0.15 0.00 -0.30 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 3.13 -0.36 4.61 0.00 -0.58 -4.97 121.76 121.59 3iss s ALA 203 Ca 0.00 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.69 3iss s ALA 203 Cb 0.00 -2.93 0.10 0.00 0.00 0.00 0.00 23.12 20.29 3iss s ALA 203 CO 0.00 -0.73 0.11 0.15 0.00 0.00 0.00 175.76 175.28 3iss s LYS 204 N -5.12 1.73 -0.01 0.00 1.02 -1.26 -4.34 119.74 111.76 3iss s LYS 204 Ca 0.54 -1.83 0.04 0.00 0.02 0.00 0.00 55.97 54.74 3iss s LYS 204 Cb -0.11 -3.35 -0.01 0.00 -0.52 0.00 0.00 37.83 33.84 3iss s LYS 204 CO 0.51 -0.98 -0.12 0.42 -0.92 0.00 0.00 175.35 174.26 3iss s ILE 205 N 1.01 0.96 0.01 2.17 1.01 -1.26 -1.18 121.20 123.92 3iss s ILE 205 Ca 0.09 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 3iss s ILE 205 Cb -0.21 -0.80 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 3iss s ILE 205 CO -0.06 0.27 0.07 -0.94 0.00 0.00 0.00 174.94 174.28 3iss s SER 206 N -0.23 0.12 0.00 3.58 1.04 -0.27 -4.90 113.70 113.04 3iss s SER 206 Ca 0.04 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3iss s SER 206 Cb -0.05 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3iss s SER 206 CO -0.00 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.47 3iss n GLY 207 N 1.44 0.65 3.65 7.32 0.00 -1.26 0.03 105.19 117.02 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 1.90 -0.18 1.61 0.00 -1.26 -0.90 117.38 116.55 3iss n GLN 208 Ca 0.00 0.68 0.00 0.00 0.00 0.00 0.00 57.00 57.68 3iss n GLN 208 Cb 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 30.24 27.87 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 2.69 0.69 3.73 2.61 0.00 -1.26 -4.93 105.19 108.73 3iss n GLY 209 Ca 0.15 0.00 -0.29 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 -2.45 1.76 -1.29 2.61 -4.23 -0.08 -4.82 115.64 107.14 3iss s THR 210 Ca 0.00 -1.86 0.25 0.00 -1.18 0.00 0.00 61.69 58.90 3iss s THR 210 Cb 0.00 -2.61 0.36 0.00 1.34 0.00 0.00 72.50 71.59 3iss s THR 210 CO 0.00 0.00 1.81 -0.90 -0.54 0.00 0.00 174.62 174.99 3iss n ASP 211 N -1.24 0.00 -3.98 3.99 5.68 -1.26 -4.59 116.55 115.15 3iss n ASP 211 Ca -0.08 0.12 -0.30 0.00 -0.50 0.00 0.00 54.79 54.02 3iss n ASP 211 Cb 0.66 -0.35 -0.16 0.00 -1.14 0.00 0.00 41.12 40.12 3iss n ASP 211 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 3iss s ARG 212 N -2.71 1.97 -0.14 0.11 3.52 -1.26 -0.79 118.95 119.65 3iss s ARG 212 Ca 0.20 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 55.05 3iss s ARG 212 Cb 0.16 -2.28 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 3iss s ARG 212 CO 0.40 -0.39 -0.09 0.42 -0.81 0.00 0.00 175.30 174.83 3iss s ILE 213 N 1.46 3.44 -0.21 4.11 1.01 -0.70 -4.33 121.20 125.98 3iss s ILE 213 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 60.65 60.09 3iss s ILE 213 Cb -0.15 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 3iss s ILE 213 CO -0.09 0.51 -0.04 -0.69 0.00 0.00 0.00 174.94 174.63 3iss s VAL 214 N 0.37 3.48 -0.17 2.92 1.01 0.10 -0.93 120.40 127.19 3iss s VAL 214 Ca -0.08 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.43 3iss s VAL 214 Cb -0.15 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.66 3iss s VAL 214 CO 0.04 0.43 -0.14 -0.63 0.00 0.00 0.00 175.10 174.80 3iss s ILE 215 N 1.25 2.66 -0.26 2.22 1.09 0.05 -1.11 121.20 127.10 3iss s ILE 215 Ca 0.03 -0.76 -0.11 0.00 -1.10 0.00 0.00 60.65 58.71 3iss s ILE 215 Cb -0.14 -2.14 -0.05 0.00 -1.06 0.00 0.00 42.46 39.07 3iss s ILE 215 CO -0.01 0.51 0.20 -0.70 -0.10 0.00 0.00 174.94 174.83 3iss s GLU 216 N 1.00 4.03 0.27 2.79 2.56 -0.32 -0.44 118.70 128.57 3iss s GLU 216 Ca -0.02 -0.24 -0.31 0.00 0.00 0.00 0.00 54.97 54.41 3iss s GLU 216 Cb -0.15 -3.59 -0.12 0.00 2.00 0.00 0.00 34.13 32.27 3iss s GLU 216 CO -0.03 -0.06 1.62 0.41 -0.56 0.00 0.00 175.26 176.64 3iss n GLY 217 N 4.60 1.37 3.81 -1.50 0.00 0.22 -4.16 105.19 109.53 3iss n GLY 217 Ca -0.14 0.50 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 3iss n GLY 217 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iss s VAL 218 N 0.26 1.56 -0.03 1.61 1.01 -0.93 -4.64 120.40 119.24 3iss s VAL 218 Ca 0.67 -1.76 0.15 0.00 0.00 0.00 0.00 61.98 61.03 3iss s VAL 218 Cb -0.50 -2.31 -0.22 0.00 0.00 0.00 0.00 36.38 33.34 3iss s VAL 218 CO 0.45 0.00 0.32 -1.84 0.00 0.00 0.00 175.10 174.03 3iss n GLU 219 N -1.44 0.46 -3.52 2.72 0.28 -1.26 -4.32 120.64 113.56 3iss n GLU 219 Ca -0.09 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.16 56.66 3iss n GLU 219 Cb 0.66 -1.34 -0.04 0.00 1.43 0.00 0.00 31.44 32.14 3iss n GLU 219 CO 0.00 0.00 0.00 -0.98 -0.16 0.00 0.00 177.13 175.99 3iss s ARG 220 N -3.00 0.87 0.09 3.44 1.70 -1.26 -5.07 118.95 115.72 3iss s ARG 220 Ca -0.05 -0.05 0.08 0.00 -0.47 0.00 0.00 55.73 55.24 3iss s ARG 220 Cb 0.09 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 3iss s ARG 220 CO 0.60 -0.32 -0.17 -0.51 -1.08 0.00 0.00 175.30 173.82 3iss s LEU 221 N -1.77 2.72 0.00 -1.89 1.43 -1.26 -4.94 118.68 112.97 3iss s LEU 221 Ca -0.02 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3iss s LEU 221 Cb -0.01 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3iss s LEU 221 CO -0.02 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3iss n GLY 222 N 1.05 1.89 0.00 -3.19 0.00 -0.45 -1.25 105.19 103.24 3iss n GLY 222 Ca -0.16 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3iss n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 223 N 5.00 6.13 0.00 -0.02 0.00 -1.25 -3.22 105.19 111.83 3iss n GLY 223 Ca 0.00 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3iss n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 224 N 3.96 0.08 3.07 -0.02 0.00 -1.01 -4.56 105.19 106.72 3iss n GLY 224 Ca 0.00 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.42 1.17 -0.08 1.61 1.01 -1.26 -1.04 120.40 119.38 3iss s VAL 225 Ca 0.00 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.36 3iss s VAL 225 Cb 0.00 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.38 3iss s VAL 225 CO 0.00 0.35 0.20 -0.47 0.00 0.00 0.00 175.10 175.18 3iss s TYR 226 N 0.17 -0.23 -0.22 5.22 5.04 -0.72 -5.00 117.35 121.62 3iss s TYR 226 Ca -0.05 0.57 -0.09 0.00 -2.44 0.00 0.00 57.07 55.06 3iss s TYR 226 Cb -0.11 0.05 -0.04 0.00 0.35 0.00 0.00 41.96 42.20 3iss s TYR 226 CO 0.02 -0.14 0.12 0.50 -1.34 0.00 0.00 175.55 174.71 3iss s ARG 227 N 0.49 4.01 0.26 4.97 3.52 -1.26 -0.23 118.95 130.71 3iss s ARG 227 Ca -0.03 -0.31 -0.30 0.00 -0.13 0.00 0.00 55.73 54.96 3iss s ARG 227 Cb -0.05 -3.40 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 3iss s ARG 227 CO -0.02 0.13 1.13 0.08 -0.81 0.00 0.00 175.30 175.80 3iss s VAL 228 N 0.83 3.48 0.95 7.11 1.01 -0.87 -4.95 120.40 127.96 3iss s VAL 228 Ca 0.06 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 3iss s VAL 228 Cb -0.13 -3.91 0.16 0.00 0.00 0.00 0.00 36.38 32.50 3iss s VAL 228 CO 0.02 0.32 1.09 -1.48 0.00 0.00 0.00 175.10 175.05 3iss s LEU 229 N -1.19 2.02 0.59 3.92 2.34 -1.26 -4.68 118.68 120.42 3iss s LEU 229 Ca 0.46 1.49 -0.18 0.00 0.06 0.00 0.00 54.13 55.96 3iss s LEU 229 Cb -0.32 -3.81 -0.03 0.00 -0.56 0.00 0.00 46.19 41.47 3iss s LEU 229 CO 0.41 -2.94 1.15 -2.84 -1.06 0.00 0.00 176.35 171.07 3iss s PRO 230 N -4.87 3.06 -0.52 1.48 0.02 -1.26 -0.86 135.00 132.06 3iss s PRO 230 Ca 0.65 1.64 -0.28 0.00 0.02 0.00 0.00 61.00 63.03 3iss s PRO 230 Cb -0.19 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.40 3iss s PRO 230 CO 0.58 -1.09 1.10 0.34 -0.33 0.00 0.00 177.00 177.60 3iss s ASP 231 N -1.89 6.52 0.40 2.53 -1.08 -0.78 -4.34 116.67 118.02 3iss s ASP 231 Ca 0.73 0.20 0.11 0.00 -0.52 0.00 0.00 52.55 53.07 3iss s ASP 231 Cb -0.25 -2.52 0.81 0.00 -1.46 0.00 0.00 42.92 39.50 3iss s ASP 231 CO 0.32 -1.29 1.91 0.08 0.52 0.00 0.00 175.17 176.71 3iss h ARG 232 N 9.32 0.14 -0.29 4.34 0.11 -1.93 -1.95 114.38 124.13 3iss h ARG 232 Ca -0.24 -0.04 -0.10 0.00 0.10 0.00 0.00 59.98 59.71 3iss h ARG 232 Cb 1.06 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.12 3iss h ARG 232 CO 1.13 0.34 -0.20 0.82 0.10 0.00 0.00 179.97 182.16 3iss h ILE 233 N 0.14 1.30 -0.52 0.08 1.08 -1.95 0.19 117.51 117.82 3iss h ILE 233 Ca 0.03 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.14 3iss h ILE 233 Cb 0.42 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 3iss h ILE 233 CO 0.03 0.42 0.23 -0.08 -0.69 0.00 0.00 178.15 178.06 3iss h GLU 234 N 0.38 0.76 -0.32 2.37 4.81 -1.92 -0.34 114.58 120.33 3iss h GLU 234 Ca 0.06 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3iss h GLU 234 Cb 0.74 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.94 3iss h GLU 234 CO 0.05 0.65 0.04 1.15 -0.73 0.00 0.00 179.01 180.18 3iss h THR 235 N 0.70 0.82 -0.38 0.32 2.02 -1.23 -1.87 112.91 113.29 3iss h THR 235 Ca 0.18 -0.05 -0.05 0.00 0.77 0.00 0.00 66.41 67.26 3iss h THR 235 Cb 0.16 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3iss h THR 235 CO -0.02 0.03 0.03 1.23 0.37 0.00 0.00 175.52 177.16 3iss h GLY 236 N 0.15 0.63 1.02 2.16 0.00 -0.72 -1.94 103.07 104.37 3iss h GLY 236 Ca 0.15 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.07 3iss h GLY 236 CO -0.22 0.35 0.26 -0.84 0.00 0.00 0.00 176.54 176.09 3iss h THR 237 N 0.57 1.24 0.03 4.70 2.02 -0.29 -1.23 112.91 119.96 3iss h THR 237 Ca 0.12 -0.78 -0.23 0.00 0.77 0.00 0.00 66.41 66.29 3iss h THR 237 Cb 0.32 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.21 3iss h THR 237 CO 0.01 0.31 -0.99 -0.26 0.37 0.00 0.00 175.52 174.96 3iss h PHE 238 N 0.97 0.49 -0.84 3.16 0.04 -1.22 -0.44 116.94 119.11 3iss h PHE 238 Ca 0.23 -0.29 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3iss h PHE 238 Cb 0.22 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.28 3iss h PHE 238 CO 0.02 1.13 0.55 -0.07 -0.60 0.00 0.00 178.31 179.34 3iss h LEU 239 N 0.16 0.94 -0.47 1.54 3.38 -1.21 -1.67 115.31 117.98 3iss h LEU 239 Ca -0.08 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 3iss h LEU 239 Cb 1.65 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 3iss h LEU 239 CO 0.16 0.67 -0.14 0.58 0.09 0.00 0.00 178.44 179.80 3iss h VAL 240 N 1.11 1.27 -0.73 1.22 2.07 -1.07 -1.77 116.25 118.35 3iss h VAL 240 Ca 0.32 -1.28 0.13 0.00 0.82 0.00 0.00 66.70 66.69 3iss h VAL 240 Cb -0.08 1.12 -0.09 0.00 -1.52 0.00 0.00 31.29 30.72 3iss h VAL 240 CO -0.09 0.44 0.29 0.00 0.02 0.00 0.00 177.57 178.24 3iss h ALA 241 N 0.87 1.01 -0.17 1.67 0.00 -0.63 -1.50 119.26 120.52 3iss h ALA 241 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3iss h ALA 241 Cb 0.70 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3iss h ALA 241 CO 0.05 -0.19 0.01 0.00 0.00 0.00 0.00 179.25 179.12 3iss h ALA 242 N 1.52 0.23 0.00 0.00 0.00 -1.05 -3.05 119.26 116.91 3iss h ALA 242 Ca 0.39 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3iss h ALA 242 Cb 0.57 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iss h ALA 242 CO -0.38 -0.08 -0.09 0.00 0.00 0.00 0.00 179.25 178.70 3iss h ALA 243 N 0.79 1.72 0.00 0.00 0.00 -0.59 -0.98 119.26 120.20 3iss h ALA 243 Ca 0.05 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3iss h ALA 243 Cb 0.35 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iss h ALA 243 CO 0.01 0.11 -1.21 0.44 0.00 0.00 0.00 179.25 178.60 3iss n ILE 244 N -4.25 0.87 0.46 0.00 -5.35 -0.63 -3.77 119.36 106.70 3iss n ILE 244 Ca -0.03 -0.61 0.09 0.00 -0.27 0.00 0.00 62.75 61.93 3iss n ILE 244 Cb 0.17 -0.52 0.26 0.00 -1.74 0.00 0.00 39.64 37.81 3iss n ILE 244 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3iss n SER 245 N -2.77 2.76 -3.05 7.28 3.41 -0.95 -4.92 113.62 115.38 3iss n SER 245 Ca -0.05 -1.95 -0.23 0.00 -0.26 0.00 0.00 58.87 56.39 3iss n SER 245 Cb 0.68 -0.30 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 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 1.01 -5.05 0.00 4.33 1.74 -0.96 -4.51 116.66 113.23 3iss n ARG 246 Ca 0.18 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.17 3iss n ARG 246 Cb 0.46 -5.79 0.00 0.00 -1.02 0.00 0.00 32.46 26.11 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 -1.55 3.29 3.30 -0.13 0.00 -0.41 -4.08 105.19 105.61 3iss n GLY 247 Ca -0.11 -2.01 -0.13 0.00 0.00 0.00 0.00 46.02 43.76 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 2.65 0.49 -0.03 1.61 -2.85 -1.22 -2.12 119.74 118.27 3iss s LYS 248 Ca 0.00 0.52 -0.16 0.00 -1.00 0.00 0.00 55.97 55.32 3iss s LYS 248 Cb 0.00 0.24 0.03 0.00 -2.06 0.00 0.00 37.83 36.04 3iss s LYS 248 CO 0.00 -0.07 0.36 -1.50 0.10 0.00 0.00 175.35 174.24 3iss s ILE 249 N 0.11 0.04 -0.10 3.79 2.07 -0.21 -1.53 121.20 125.37 3iss s ILE 249 Ca -0.01 -0.37 0.03 0.00 -1.41 0.00 0.00 60.65 58.90 3iss s ILE 249 Cb -0.03 -0.65 -0.00 0.00 0.13 0.00 0.00 42.46 41.91 3iss s ILE 249 CO 0.01 -0.20 -0.22 -0.63 -1.91 0.00 0.00 174.94 171.98 3iss s ILE 250 N -1.14 2.23 -0.22 2.00 -1.09 -0.68 -1.13 121.20 121.17 3iss s ILE 250 Ca -0.12 -0.96 -0.07 0.00 -2.23 0.00 0.00 60.65 57.27 3iss s ILE 250 Cb -0.04 -1.86 -0.03 0.00 -1.58 0.00 0.00 42.46 38.94 3iss s ILE 250 CO 0.04 0.55 0.07 0.00 -1.23 0.00 0.00 174.94 174.38 3iss s ARG 252 N 1.13 3.08 -0.44 0.00 1.81 0.47 -1.88 118.95 123.13 3iss s ARG 252 Ca 0.04 -0.51 -0.02 0.00 -1.72 0.00 0.00 55.73 53.52 3iss s ARG 252 Cb -0.14 -2.86 0.00 0.00 -0.45 0.00 0.00 34.95 31.50 3iss s ARG 252 CO 0.03 0.63 0.27 0.09 -0.68 0.00 0.00 175.30 175.64 3iss n ASN 253 N 0.96 -3.11 -4.96 0.23 4.13 -0.51 -0.58 115.26 111.42 3iss n ASN 253 Ca -0.11 -0.12 -0.19 0.00 1.68 0.00 0.00 54.58 55.84 3iss n ASN 253 Cb 0.52 -1.85 -0.01 0.00 -1.54 0.00 0.00 39.78 36.91 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 -2.91 4.32 -0.47 5.41 0.00 -0.08 -4.54 121.76 123.48 3iss s ALA 254 Ca 0.13 -1.73 0.03 0.00 0.00 0.00 0.00 51.96 50.40 3iss s ALA 254 Cb -0.06 -1.40 0.16 0.00 0.00 0.00 0.00 23.12 21.82 3iss s ALA 254 CO 0.17 -0.23 0.34 -1.14 0.00 0.00 0.00 175.76 174.90 3iss s GLN 255 N -4.25 1.27 0.35 0.00 0.74 -1.26 -4.29 119.66 112.22 3iss s GLN 255 Ca 0.51 -2.28 0.11 0.00 0.05 0.00 0.00 55.36 53.75 3iss s GLN 255 Cb -0.07 -1.99 0.87 0.00 1.10 0.00 0.00 33.01 32.92 3iss s GLN 255 CO 0.31 -1.31 1.81 -1.35 -0.55 0.00 0.00 175.29 174.20 3iss h PRO 256 N 5.91 0.61 0.00 1.67 0.11 -1.87 -0.90 132.00 137.54 3iss h PRO 256 Ca 0.17 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3iss h PRO 256 Cb 0.88 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3iss h PRO 256 CO 0.45 0.40 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3iss n ASP 257 N -4.65 0.00 0.01 -2.05 5.68 -1.26 -0.73 116.55 113.55 3iss n ASP 257 Ca 0.22 0.19 0.12 0.00 -0.50 0.00 0.00 54.79 54.82 3iss n ASP 257 Cb 0.62 -0.24 0.17 0.00 -1.14 0.00 0.00 41.12 40.53 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 -1.24 0.05 -1.58 2.12 -1.04 -0.34 -4.42 114.28 107.83 3iss n THR 258 Ca 0.01 -0.05 0.06 0.00 -2.04 0.00 0.00 64.05 62.04 3iss n THR 258 Cb 0.02 0.32 0.12 0.00 -1.82 0.00 0.00 70.33 68.97 3iss n THR 258 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3iss n LEU 259 N -1.60 1.90 -0.03 -4.42 4.77 0.09 -4.91 117.00 112.79 3iss n LEU 259 Ca 0.05 -2.86 -0.14 0.00 -0.03 0.00 0.00 56.01 53.03 3iss n LEU 259 Cb 0.35 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 41.03 3iss n LEU 259 CO 0.37 0.83 0.53 0.44 -1.33 0.00 0.00 177.39 178.23 3iss h ASP 260 N 0.44 -1.61 -0.63 -1.43 3.32 -1.77 -1.08 116.42 113.66 3iss h ASP 260 Ca -0.03 0.20 0.07 0.00 0.02 0.00 0.00 57.03 57.30 3iss h ASP 260 Cb 1.18 0.64 -0.06 0.00 0.22 0.00 0.00 39.33 41.32 3iss h ASP 260 CO 0.01 -0.45 0.30 0.00 -1.72 0.00 0.00 179.24 177.38 3iss h ALA 261 N -0.09 0.83 -0.45 3.45 0.00 -1.89 -1.00 119.26 120.12 3iss h ALA 261 Ca 0.06 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3iss h ALA 261 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iss h ALA 261 CO -0.46 -0.07 0.11 0.28 0.00 0.00 0.00 179.25 179.10 3iss h VAL 262 N 0.55 1.23 -0.55 0.00 2.07 -1.77 -2.06 116.25 115.72 3iss h VAL 262 Ca 0.30 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.90 3iss h VAL 262 Cb 0.28 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3iss h VAL 262 CO -0.23 0.29 -0.03 -0.07 0.02 0.00 0.00 177.57 177.55 3iss h LEU 263 N 0.59 0.96 -0.86 2.57 3.38 -0.90 -1.45 115.31 119.59 3iss h LEU 263 Ca 0.14 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3iss h LEU 263 Cb 0.32 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3iss h LEU 263 CO 0.00 1.03 0.50 0.00 0.09 0.00 0.00 178.44 180.06 3iss h ALA 264 N 1.07 1.10 -0.30 1.53 0.00 -1.05 -1.52 119.26 120.09 3iss h ALA 264 Ca 0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 3iss h ALA 264 Cb 0.56 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iss h ALA 264 CO 0.03 0.58 -0.35 -0.22 0.00 0.00 0.00 179.25 179.29 3iss h LYS 265 N 1.19 0.68 -0.69 0.00 1.63 -1.03 -2.04 116.57 116.32 3iss h LYS 265 Ca 0.31 -0.33 -0.07 0.00 -0.85 0.00 0.00 60.65 59.70 3iss h LYS 265 Cb -0.01 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.59 3iss h LYS 265 CO -0.05 0.93 0.15 -0.07 -3.45 0.00 0.00 179.45 176.96 3iss h LEU 266 N 0.57 1.06 -0.66 5.20 3.38 -0.90 -2.00 115.31 121.95 3iss h LEU 266 Ca 0.06 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.80 3iss h LEU 266 Cb 0.87 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3iss h LEU 266 CO 0.08 1.02 0.43 0.03 0.09 0.00 0.00 178.44 180.09 3iss h ARG 267 N 1.05 0.87 0.00 1.13 3.08 -0.98 -1.22 114.38 118.30 3iss h ARG 267 Ca 0.21 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 3iss h ARG 267 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3iss h ARG 267 CO 0.01 0.58 -0.05 -0.44 -1.07 0.00 0.00 179.97 179.00 3iss h ASP 268 N 0.89 0.00 0.57 7.04 3.32 -0.90 0.44 116.42 127.78 3iss h ASP 268 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iss h ASP 268 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 3iss h ASP 268 CO -0.05 0.05 -0.12 0.00 -1.72 0.00 0.00 179.24 177.40 3iss n ALA 269 N -2.33 2.72 0.00 3.45 0.00 -0.55 -4.72 120.51 119.07 3iss n ALA 269 Ca -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3iss n ALA 269 Cb 0.14 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.22 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 1.36 1.18 3.85 0.00 0.00 0.15 0.12 105.19 111.85 3iss n GLY 270 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 3iss n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 271 N -2.00 3.32 -0.43 4.61 0.00 -0.67 -4.88 121.76 121.70 3iss s ALA 271 Ca 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 3iss s ALA 271 Cb 0.00 -2.77 0.06 0.00 0.00 0.00 0.00 23.12 20.41 3iss s ALA 271 CO 0.00 0.30 0.32 0.34 0.00 0.00 0.00 175.76 176.71 3iss s ASP 272 N -2.35 5.94 -0.09 0.00 2.15 -0.25 -4.43 116.67 117.64 3iss s ASP 272 Ca 0.54 -1.27 0.03 0.00 0.43 0.00 0.00 52.55 52.28 3iss s ASP 272 Cb -0.10 -2.10 -0.01 0.00 -0.30 0.00 0.00 42.92 40.41 3iss s ASP 272 CO 0.18 -0.55 -0.20 -0.63 -0.17 0.00 0.00 175.17 173.81 3iss s ILE 273 N 1.57 2.50 0.08 4.11 1.01 -1.26 -0.95 121.20 128.27 3iss s ILE 273 Ca 0.03 -0.88 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3iss s ILE 273 Cb -0.22 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.23 3iss s ILE 273 CO 0.06 0.55 -0.19 -1.61 0.00 0.00 0.00 174.94 173.75 3iss s GLU 274 N 0.10 1.10 0.03 2.79 2.02 -0.75 -4.99 118.70 119.01 3iss s GLU 274 Ca -0.09 -1.07 0.07 0.00 0.02 0.00 0.00 54.97 53.90 3iss s GLU 274 Cb -0.15 -1.29 -0.02 0.00 0.10 0.00 0.00 34.13 32.76 3iss s GLU 274 CO 0.06 0.30 -0.20 0.14 0.02 0.00 0.00 175.26 175.58 3iss s VAL 275 N -1.10 1.61 0.00 2.63 -7.23 -1.26 -0.19 120.40 114.86 3iss s VAL 275 Ca 0.05 -1.10 0.00 0.00 -1.81 0.00 0.00 61.98 59.12 3iss s VAL 275 Cb -0.10 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3iss s VAL 275 CO 0.03 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 3iss n GLY 276 N 2.03 3.88 0.16 2.32 0.00 -0.21 -5.00 105.19 108.37 3iss n GLY 276 Ca -0.17 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 43.96 3iss n GLY 276 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iss h GLU 277 N 0.00 0.00 0.00 1.61 4.81 -2.01 -3.38 114.58 115.61 3iss h GLU 277 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3iss h GLU 277 Cb 0.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.17 3iss h GLU 277 CO 0.00 0.07 -0.64 -0.40 -0.73 0.00 0.00 179.01 177.30 3iss n ASP 278 N -2.91 0.20 -3.90 1.04 5.75 -1.26 -4.71 116.55 110.76 3iss n ASP 278 Ca 0.01 -1.90 -0.09 0.00 -0.01 0.00 0.00 54.79 52.80 3iss n ASP 278 Cb 0.58 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.49 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 0.18 -0.02 2.11 1.48 -1.26 -0.91 118.94 120.52 3iss s TRP 279 Ca 0.16 -0.52 0.02 0.00 -1.06 0.00 0.00 56.10 54.70 3iss s TRP 279 Cb 0.18 -0.12 0.00 0.00 -1.16 0.00 0.00 33.47 32.38 3iss s TRP 279 CO -0.08 -0.43 -0.08 0.42 -4.06 0.00 0.00 176.95 172.72 3iss s ILE 280 N -3.06 0.66 0.08 0.66 1.01 -0.78 -1.05 121.20 118.72 3iss s ILE 280 Ca -0.01 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.43 3iss s ILE 280 Cb 0.01 -0.60 -0.03 0.00 0.01 0.00 0.00 42.46 41.85 3iss s ILE 280 CO -0.07 0.21 -0.22 -0.94 0.00 0.00 0.00 174.94 173.92 3iss s SER 281 N 0.21 3.54 -0.03 3.58 1.04 0.73 -0.52 113.70 122.25 3iss s SER 281 Ca -0.03 -0.57 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3iss s SER 281 Cb -0.08 -0.42 0.03 0.00 0.10 0.00 0.00 66.02 65.65 3iss s SER 281 CO 0.00 0.22 0.07 -0.22 0.98 0.00 0.00 173.24 174.29 3iss s LEU 282 N -1.68 1.08 -0.05 2.42 0.20 -0.28 -1.81 118.68 118.55 3iss s LEU 282 Ca 0.14 0.12 0.01 0.00 0.69 0.00 0.00 54.13 55.10 3iss s LEU 282 Cb -0.10 0.09 0.02 0.00 -0.43 0.00 0.00 46.19 45.76 3iss s LEU 282 CO 0.06 -0.12 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.30 3iss s ASP 283 N 0.96 1.26 0.05 3.68 -1.08 -0.13 -1.05 116.67 120.36 3iss s ASP 283 Ca -0.08 -0.19 0.23 0.00 -0.52 0.00 0.00 52.55 51.99 3iss s ASP 283 Cb -0.11 -0.59 0.17 0.00 -1.46 0.00 0.00 42.92 40.93 3iss s ASP 283 CO -0.03 -0.02 1.14 0.23 0.52 0.00 0.00 175.17 177.00 3iss n MET 284 N 3.97 0.22 -3.80 4.34 2.81 -0.90 -1.09 117.12 122.66 3iss n MET 284 Ca -0.24 0.01 -0.24 0.00 -1.81 0.00 0.00 57.70 55.42 3iss n MET 284 Cb 0.51 -1.59 0.02 0.00 -0.71 0.00 0.00 33.22 31.45 3iss n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iss n HIS 285 N -1.87 -1.93 -0.70 2.03 8.25 -1.26 -1.43 115.22 118.30 3iss n HIS 285 Ca 0.03 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 3iss n HIS 285 Cb 0.41 -4.15 0.00 0.00 1.12 0.00 0.00 29.99 27.37 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 0.35 3.82 -1.41 0.00 -1.26 -4.97 105.19 100.05 3iss n GLY 286 Ca -0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.68 4.23 0.15 1.61 -0.14 -0.52 -4.96 119.74 119.43 3iss s LYS 287 Ca 0.00 1.07 -0.28 0.00 -1.36 0.00 0.00 55.97 55.40 3iss s LYS 287 Cb 0.00 -2.28 -0.07 0.00 -1.68 0.00 0.00 37.83 33.80 3iss s LYS 287 CO 0.00 0.03 0.88 0.50 -0.76 0.00 0.00 175.35 176.00 3iss s ARG 288 N -3.03 4.68 0.76 1.68 3.52 -1.26 -4.50 118.95 120.80 3iss s ARG 288 Ca 0.60 1.33 -0.14 0.00 -0.13 0.00 0.00 55.73 57.39 3iss s ARG 288 Cb -0.10 -3.32 0.05 0.00 -1.56 0.00 0.00 34.95 30.02 3iss s ARG 288 CO 0.15 0.39 1.19 -1.25 -0.81 0.00 0.00 175.30 174.97 3iss s PRO 289 N -0.61 2.01 -0.07 5.12 0.04 -1.26 -4.82 135.00 135.41 3iss s PRO 289 Ca 0.41 1.68 -0.05 0.00 0.04 0.00 0.00 61.00 63.09 3iss s PRO 289 Cb -0.24 -1.83 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3iss s PRO 289 CO 0.28 -1.92 0.15 0.15 0.04 0.00 0.00 177.00 175.71 3iss s LYS 290 N -4.08 3.39 0.44 4.56 -0.14 0.12 -1.40 119.74 122.64 3iss s LYS 290 Ca 0.72 -0.24 -0.25 0.00 -1.36 0.00 0.00 55.97 54.84 3iss s LYS 290 Cb -0.27 -3.11 -0.09 0.00 -1.68 0.00 0.00 37.83 32.67 3iss s LYS 290 CO 0.47 0.73 1.23 0.00 -0.76 0.00 0.00 175.35 177.02 3iss n ALA 291 N 1.53 1.12 -2.39 5.17 0.00 -0.64 -4.33 120.51 120.98 3iss n ALA 291 Ca -0.16 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 3iss n ALA 291 Cb 0.54 -2.24 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.23 1.46 -0.12 0.00 -7.23 -1.26 -4.84 120.40 107.18 3iss s VAL 292 Ca 0.63 -2.10 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3iss s VAL 292 Cb -0.50 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.05 3iss s VAL 292 CO 0.57 -0.35 -0.09 0.20 -0.31 0.00 0.00 175.10 175.11 3iss s ASN 293 N -3.38 4.36 0.03 4.85 0.02 -1.26 -3.37 114.94 116.19 3iss s ASN 293 Ca 0.28 -0.20 0.04 0.00 -1.02 0.00 0.00 52.86 51.96 3iss s ASN 293 Cb 0.04 -1.50 -0.02 0.00 0.02 0.00 0.00 41.25 39.79 3iss s ASN 293 CO 0.10 0.22 -0.12 -0.69 0.02 0.00 0.00 177.10 176.63 3iss s VAL 294 N 0.03 0.93 -0.16 1.60 1.01 -0.24 -4.99 120.40 118.58 3iss s VAL 294 Ca -0.02 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3iss s VAL 294 Cb -0.14 -0.84 0.04 0.00 0.00 0.00 0.00 36.38 35.44 3iss s VAL 294 CO 0.04 0.02 -0.05 -0.60 0.00 0.00 0.00 175.10 174.51 3iss s ARG 295 N -0.91 1.40 0.49 2.72 3.52 -1.26 -0.08 118.95 124.83 3iss s ARG 295 Ca 0.01 -0.50 -0.20 0.00 -0.13 0.00 0.00 55.73 54.91 3iss s ARG 295 Cb -0.07 -1.98 -0.08 0.00 -1.56 0.00 0.00 34.95 31.26 3iss s ARG 295 CO 0.01 -0.43 1.04 0.95 -0.81 0.00 0.00 175.30 176.06 3iss s THR 296 N 1.65 3.74 0.05 4.11 -4.23 -0.22 -4.33 115.64 116.41 3iss s THR 296 Ca 0.01 1.09 -0.28 0.00 -1.18 0.00 0.00 61.69 61.33 3iss s THR 296 Cb -0.15 -3.44 0.10 0.00 1.34 0.00 0.00 72.50 70.34 3iss s THR 296 CO -0.08 -0.23 1.16 0.00 -0.54 0.00 0.00 174.62 174.94 3iss s ALA 297 N -1.96 -2.02 0.66 3.99 0.00 -0.66 -3.50 121.76 118.28 3iss s ALA 297 Ca 0.67 0.44 -0.17 0.00 0.00 0.00 0.00 51.96 52.91 3iss s ALA 297 Cb -0.17 0.48 0.00 0.00 0.00 0.00 0.00 23.12 23.44 3iss s ALA 297 CO 0.20 -1.05 1.23 -2.14 0.00 0.00 0.00 175.76 174.00 3iss s PRO 298 N -2.72 2.53 0.31 0.00 0.02 -1.26 -4.40 135.00 129.49 3iss s PRO 298 Ca 0.14 1.86 -0.26 0.00 0.02 0.00 0.00 61.00 62.76 3iss s PRO 298 Cb 0.02 -1.87 -0.14 0.00 0.02 0.00 0.00 34.50 32.53 3iss s PRO 298 CO -0.01 -1.56 0.73 1.58 -0.33 0.00 0.00 177.00 177.41 3iss n HIS 299 N -2.12 0.23 -0.35 6.54 -0.00 -1.26 -2.00 115.22 116.25 3iss n HIS 299 Ca 0.14 0.74 -0.01 0.00 0.46 0.00 0.00 57.72 59.05 3iss n HIS 299 Cb 0.49 -2.09 0.24 0.00 -0.12 0.00 0.00 29.99 28.51 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 0.75 3.21 -1.14 1.57 -0.04 -1.26 -4.55 135.00 133.54 3iss n PRO 300 Ca 0.12 -2.13 -0.30 0.00 -0.04 0.00 0.00 63.50 61.15 3iss n PRO 300 Cb 0.33 -1.97 0.24 0.00 -0.04 0.00 0.00 33.50 32.06 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 -2.22 0.71 0.17 0.55 0.00 -0.85 -4.39 121.76 115.73 3iss s ALA 301 Ca 0.38 -1.03 -0.32 0.00 0.00 0.00 0.00 51.96 50.99 3iss s ALA 301 Cb 0.30 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 20.46 3iss s ALA 301 CO 0.10 -3.57 1.65 0.12 0.00 0.00 0.00 175.76 174.06 3iss s PHE 302 N -3.08 2.90 0.13 0.00 2.19 -1.26 -4.82 117.98 114.04 3iss s PHE 302 Ca 0.72 0.45 -0.28 0.00 0.33 0.00 0.00 56.93 58.15 3iss s PHE 302 Cb -0.08 -4.03 -0.07 0.00 -1.31 0.00 0.00 43.02 37.53 3iss s PHE 302 CO 0.56 -3.90 0.87 -1.25 1.83 0.00 0.00 175.22 173.32 3iss s PRO 303 N 1.36 4.65 0.40 10.12 0.05 -1.26 -1.65 135.00 148.66 3iss s PRO 303 Ca 0.73 1.30 0.14 0.00 0.05 0.00 0.00 61.00 63.21 3iss s PRO 303 Cb -0.46 -3.33 0.98 0.00 0.05 0.00 0.00 34.50 31.73 3iss s PRO 303 CO 0.32 0.36 1.88 0.00 0.05 0.00 0.00 177.00 179.61 3iss h THR 304 N 3.77 0.78 0.00 1.26 1.03 -1.93 -1.44 112.91 116.36 3iss h THR 304 Ca -0.44 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 65.78 3iss h THR 304 Cb 1.21 0.22 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 3iss h THR 304 CO 0.70 0.09 0.00 0.47 -0.01 0.00 0.00 175.52 176.77 3iss n ASP 305 N -4.52 0.00 -0.41 0.00 8.00 -1.26 -1.32 116.55 117.03 3iss n ASP 305 Ca 0.17 0.18 0.05 0.00 0.71 0.00 0.00 54.79 55.89 3iss n ASP 305 Cb 0.55 -0.29 0.05 0.00 -0.02 0.00 0.00 41.12 41.42 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 -1.29 0.74 -0.16 -1.24 2.81 -0.55 -4.77 117.12 112.66 3iss n MET 306 Ca 0.04 -1.22 -0.10 0.00 -1.81 0.00 0.00 57.70 54.61 3iss n MET 306 Cb 0.06 -1.19 -0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 1.88 0.83 -0.54 0.03 -0.00 -1.21 -2.33 115.11 113.76 3iss h GLN 307 Ca 0.00 -0.26 -0.11 0.00 -0.00 0.00 0.00 58.65 58.28 3iss h GLN 307 Cb 0.45 -0.08 -0.02 0.00 0.00 0.00 0.00 27.48 27.84 3iss h GLN 307 CO 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 178.83 179.61 3iss h ALA 308 N 0.92 0.81 -0.77 3.38 0.00 -1.86 -1.54 119.26 120.21 3iss h ALA 308 Ca 0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3iss h ALA 308 Cb 0.50 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 3iss h ALA 308 CO 0.02 0.67 0.45 1.96 0.00 0.00 0.00 179.25 182.35 3iss h GLN 309 N 0.90 1.05 0.00 0.00 7.50 -1.81 -1.65 115.11 121.10 3iss h GLN 309 Ca 0.14 -0.10 -0.03 0.00 0.50 0.00 0.00 58.65 59.16 3iss h GLN 309 Cb 0.65 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 3iss h GLN 309 CO 0.04 0.75 -0.16 0.74 -1.50 0.00 0.00 178.83 178.71 3iss h PHE 310 N 1.06 0.00 -0.64 2.96 -1.00 -1.22 -2.05 116.94 116.04 3iss h PHE 310 Ca 0.27 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 3iss h PHE 310 Cb -0.02 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.52 3iss h PHE 310 CO -0.01 0.16 0.11 1.15 -1.61 0.00 0.00 178.31 178.11 3iss h THR 311 N 0.00 1.26 -0.18 -1.55 2.02 -0.63 -1.44 112.91 112.39 3iss h THR 311 Ca -0.00 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 3iss h THR 311 Cb 0.95 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 3iss h THR 311 CO 0.02 0.38 -0.00 0.25 0.37 0.00 0.00 175.52 176.54 3iss h LEU 312 N 0.97 0.31 -0.43 2.58 5.85 -0.93 -1.22 115.31 122.44 3iss h LEU 312 Ca 0.19 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 58.68 3iss h LEU 312 Cb 0.43 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 3iss h LEU 312 CO 0.01 0.55 -0.42 0.25 -0.34 0.00 0.00 178.44 178.49 3iss h LEU 313 N 0.07 -1.41 -1.63 2.25 6.46 -1.29 0.27 115.31 120.02 3iss h LEU 313 Ca 0.05 0.22 0.08 0.00 -0.12 0.00 0.00 57.88 58.11 3iss h LEU 313 Cb 0.39 0.62 -0.03 0.00 -0.73 0.00 0.00 40.66 40.91 3iss h LEU 313 CO 0.01 -0.36 0.38 0.78 -0.62 0.00 0.00 178.44 178.63 3iss h ASN 314 N -0.31 0.38 1.06 1.25 2.35 -1.05 -2.24 115.58 117.03 3iss h ASN 314 Ca 0.15 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 3iss h ASN 314 Cb 0.58 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3iss h ASN 314 CO -0.59 0.24 0.00 -0.07 -1.65 0.00 0.00 177.43 175.36 3iss h LEU 315 N 0.43 0.00 -3.04 1.61 3.38 0.30 -2.55 115.31 115.44 3iss h LEU 315 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3iss h LEU 315 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 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 -2.55 1.71 -2.85 1.22 0.24 -0.89 -1.01 118.33 114.20 3iss n VAL 316 Ca 0.03 -1.85 -0.20 0.00 -2.04 0.00 0.00 64.34 60.27 3iss n VAL 316 Cb 0.32 -0.04 0.06 0.00 -1.47 0.00 0.00 33.84 32.71 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 -2.35 4.28 -0.34 2.33 0.00 -0.90 -4.70 121.76 120.08 3iss s ALA 317 Ca 0.26 -1.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 3iss s ALA 317 Cb 0.22 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.61 3iss s ALA 317 CO 0.04 -0.89 0.75 -2.00 0.00 0.00 0.00 175.76 173.66 3iss s GLU 318 N -4.75 3.82 0.00 0.00 2.12 -0.49 -4.03 118.70 115.37 3iss s GLU 318 Ca 0.61 0.35 0.00 0.00 0.36 0.00 0.00 54.97 56.29 3iss s GLU 318 Cb -0.07 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.54 3iss s GLU 318 CO 0.39 -0.75 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 3iss n GLY 319 N 4.44 -1.32 3.48 -1.50 0.00 -1.26 -1.61 105.19 107.42 3iss n GLY 319 Ca 0.02 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.61 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 3.64 0.06 2.61 2.01 -1.26 -1.73 115.64 120.97 3iss s THR 320 Ca 0.00 -0.46 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3iss s THR 320 Cb 0.00 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 3iss s THR 320 CO 0.00 0.52 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.53 3iss s GLY 321 N 0.19 0.63 0.17 4.40 0.00 -0.82 -4.76 107.32 107.14 3iss s GLY 321 Ca -0.04 -0.92 0.10 0.00 0.00 0.00 0.00 44.72 43.86 3iss s GLY 321 CO 0.03 -0.98 -0.19 -0.11 0.00 0.00 0.00 173.10 171.86 3iss s PHE 322 N -1.78 2.45 -0.13 1.90 -0.71 -1.22 -1.01 117.98 117.48 3iss s PHE 322 Ca -0.04 -0.30 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 3iss s PHE 322 Cb -0.07 -1.22 0.02 0.00 -1.21 0.00 0.00 43.02 40.54 3iss s PHE 322 CO -0.00 0.48 -0.12 0.42 -1.34 0.00 0.00 175.22 174.66 3iss s ILE 323 N -1.57 1.34 -0.13 -4.49 1.01 -0.58 -1.07 121.20 115.70 3iss s ILE 323 Ca 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3iss s ILE 323 Cb -0.09 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.08 3iss s ILE 323 CO 0.11 0.42 -0.07 -0.89 0.00 0.00 0.00 174.94 174.52 3iss s THR 324 N 1.47 3.67 -0.25 2.92 2.01 0.89 -0.64 115.64 125.71 3iss s THR 324 Ca 0.03 -0.45 -0.06 0.00 0.31 0.00 0.00 61.69 61.51 3iss s THR 324 Cb -0.13 -2.57 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 3iss s THR 324 CO -0.08 0.53 0.04 -0.70 -0.69 0.00 0.00 174.62 173.72 3iss s GLU 325 N 0.03 3.47 0.00 4.92 2.56 -0.55 -1.06 118.70 128.07 3iss s GLU 325 Ca -0.01 -0.59 0.11 0.00 0.00 0.00 0.00 54.97 54.48 3iss s GLU 325 Cb -0.14 -3.25 0.01 0.00 2.00 0.00 0.00 34.13 32.75 3iss s GLU 325 CO 0.03 -0.24 0.67 0.25 -0.56 0.00 0.00 175.26 175.41 3iss n THR 326 N 4.88 0.00 -0.12 -1.70 -2.24 -1.23 -4.56 114.28 109.30 3iss n THR 326 Ca -0.16 -0.40 -0.23 0.00 -2.27 0.00 0.00 64.05 60.98 3iss n THR 326 Cb 0.51 1.14 -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 -0.15 1.52 -3.89 2.28 0.31 -1.26 -4.82 118.33 112.31 3iss n VAL 327 Ca 0.05 -0.20 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 3iss n VAL 327 Cb 0.23 -2.02 -0.14 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 -2.55 2.90 -0.77 3.52 0.08 -1.26 -5.01 117.98 114.90 3iss s PHE 328 Ca -0.34 -2.72 0.19 0.00 0.12 0.00 0.00 56.93 54.18 3iss s PHE 328 Cb 0.11 -2.49 0.80 0.00 -0.57 0.00 0.00 43.02 40.87 3iss s PHE 328 CO 0.48 -0.85 1.59 0.39 -0.10 0.00 0.00 175.22 176.73 3iss n GLU 329 N 3.91 0.09 -0.59 0.44 1.02 -1.26 -2.22 120.64 122.03 3iss n GLU 329 Ca 0.04 0.32 0.03 0.00 -0.02 0.00 0.00 57.16 57.53 3iss n GLU 329 Cb 0.38 -1.67 0.23 0.00 -0.02 0.00 0.00 31.44 30.35 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 -1.84 3.18 -3.93 1.62 3.02 -1.22 -4.68 115.26 111.41 3iss n ASN 330 Ca 0.03 -3.36 -0.43 0.00 -0.03 0.00 0.00 54.58 50.79 3iss n ASN 330 Cb 0.21 -0.58 0.01 0.00 -0.61 0.00 0.00 39.78 38.80 3iss n ASN 330 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3iss n ARG 331 N -0.85 3.75 -0.35 3.52 0.63 -0.94 -4.53 116.66 117.88 3iss n ARG 331 Ca 0.27 -3.72 0.01 0.00 -0.92 0.00 0.00 57.85 53.49 3iss n ARG 331 Cb 0.95 -2.86 0.01 0.00 0.45 0.00 0.00 32.46 31.02 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 3.55 0.00 0.26 -0.14 3.72 -1.26 -4.86 117.46 118.73 3iss n PHE 332 Ca 0.37 -0.11 0.10 0.00 -0.05 0.00 0.00 57.45 57.76 3iss n PHE 332 Cb 0.36 -0.05 0.70 0.00 -0.94 0.00 0.00 39.48 39.55 3iss n PHE 332 CO 0.00 0.00 0.00 0.52 -0.05 0.00 0.00 176.76 177.23 3iss h MET 333 N 0.00 0.00 -0.22 -1.08 2.86 -1.97 -1.34 114.93 113.19 3iss h MET 333 Ca 0.00 0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3iss h MET 333 Cb 1.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.91 3iss h MET 333 CO 0.00 0.09 0.15 1.12 1.06 0.00 0.00 176.91 179.33 3iss h HIS 334 N 0.00 0.22 0.31 -0.22 -0.00 -1.94 -3.24 115.15 110.27 3iss h HIS 334 Ca -0.00 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 3iss h HIS 334 Cb 0.19 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 3iss h HIS 334 CO 0.00 0.13 -0.20 0.28 -0.00 0.00 0.00 177.93 178.14 3iss h VAL 335 N 0.23 0.58 -0.67 6.12 2.07 -1.63 -0.33 116.25 122.62 3iss h VAL 335 Ca 0.09 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.64 3iss h VAL 335 Cb 0.07 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 3iss h VAL 335 CO -0.02 0.00 0.44 -0.65 0.02 0.00 0.00 177.57 177.36 3iss h PRO 336 N -0.49 0.80 0.15 1.57 0.11 -1.72 -0.75 132.00 131.66 3iss h PRO 336 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3iss h PRO 336 Cb 0.42 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.35 3iss h PRO 336 CO 0.02 0.53 -0.07 0.93 -0.21 0.00 0.00 178.00 179.20 3iss h GLU 337 N 0.82 -0.19 -0.24 1.05 4.39 -1.50 -1.91 114.58 117.01 3iss h GLU 337 Ca 0.26 0.01 0.07 0.00 0.34 0.00 0.00 59.36 60.04 3iss h GLU 337 Cb 0.04 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3iss h GLU 337 CO -0.07 -0.06 0.19 -0.07 -1.16 0.00 0.00 179.01 177.83 3iss h LEU 338 N -0.27 0.00 -1.24 1.33 3.38 -0.65 0.92 115.31 118.77 3iss h LEU 338 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3iss h LEU 338 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3iss h LEU 338 CO 0.03 0.00 -0.36 0.28 0.09 0.00 0.00 178.44 178.48 3iss h SER 339 N 0.00 0.00 0.24 -0.43 0.02 -0.38 -0.90 113.55 112.10 3iss h SER 339 Ca 0.11 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3iss h SER 339 Cb 0.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 3iss h SER 339 CO -0.00 0.36 -0.10 0.03 -1.14 0.00 0.00 176.83 175.98 3iss h ARG 340 N 0.00 0.00 -0.60 3.45 3.08 -0.26 -2.22 114.38 117.82 3iss h ARG 340 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iss h ARG 340 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 3iss h ARG 340 CO 0.05 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 177.71 3iss n MET 341 N -3.81 2.67 -0.23 0.04 2.81 -0.41 -4.84 117.12 113.36 3iss n MET 341 Ca -0.02 -2.18 0.00 0.00 -1.81 0.00 0.00 57.70 53.69 3iss n MET 341 Cb 0.20 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 1.27 0.71 3.75 3.03 0.00 -0.83 -0.75 105.19 112.36 3iss n GLY 342 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.29 2.42 -0.34 4.61 0.00 -0.78 -4.97 121.76 120.40 3iss s ALA 343 Ca 0.00 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.76 3iss s ALA 343 Cb 0.00 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.78 3iss s ALA 343 CO 0.00 -1.35 0.09 -1.01 0.00 0.00 0.00 175.76 173.49 3iss s HIS 344 N -1.92 3.38 0.00 0.00 0.09 -1.26 -4.55 115.29 111.03 3iss s HIS 344 Ca 0.73 -2.00 -0.09 0.00 -0.00 0.00 0.00 55.06 53.70 3iss s HIS 344 Cb -0.27 -2.53 0.01 0.00 -0.00 0.00 0.00 32.58 29.79 3iss s HIS 344 CO 0.38 -0.85 0.18 0.00 -0.00 0.00 0.00 174.74 174.45 3iss s ALA 345 N 1.23 -0.43 0.10 -1.40 0.00 -1.26 -1.19 121.76 118.81 3iss s ALA 345 Ca 0.00 -0.05 0.07 0.00 0.00 0.00 0.00 51.96 51.99 3iss s ALA 345 Cb -0.21 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3iss s ALA 345 CO -0.02 -0.23 -0.19 -1.83 0.00 0.00 0.00 175.76 173.49 3iss s GLU 346 N -1.48 1.06 -0.27 0.00 1.03 -0.54 -4.98 118.70 113.52 3iss s GLU 346 Ca -0.14 -1.13 -0.05 0.00 0.03 0.00 0.00 54.97 53.68 3iss s GLU 346 Cb -0.07 -1.24 0.01 0.00 -0.80 0.00 0.00 34.13 32.04 3iss s GLU 346 CO 0.02 0.28 0.03 0.42 -1.33 0.00 0.00 175.26 174.68 3iss s ILE 347 N -1.27 3.59 -0.36 1.83 1.01 -1.26 0.36 121.20 125.09 3iss s ILE 347 Ca 0.05 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.83 3iss s ILE 347 Cb -0.10 -2.83 0.03 0.00 0.01 0.00 0.00 42.46 39.58 3iss s ILE 347 CO 0.04 0.14 0.16 -1.61 0.00 0.00 0.00 174.94 173.67 3iss s GLU 348 N 1.44 2.72 5.71 2.79 0.41 -0.18 -4.98 118.70 126.62 3iss s GLU 348 Ca 0.02 -1.14 0.00 0.00 -0.41 0.00 0.00 54.97 53.44 3iss s GLU 348 Cb -0.17 -3.61 0.00 0.00 -1.78 0.00 0.00 34.13 28.57 3iss s GLU 348 CO -0.00 -0.69 0.00 0.45 -0.49 0.00 0.00 175.26 174.53 3iss n SER 349 N 4.91 0.00 -1.26 -0.19 2.88 -1.26 -1.16 113.62 117.54 3iss n SER 349 Ca -0.12 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.37 3iss n SER 349 Cb 0.45 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 64.12 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 9.02 2.73 -4.08 -3.46 0.23 -1.26 -4.93 115.26 113.51 3iss n ASN 350 Ca 0.00 -3.70 -0.26 0.00 -0.53 0.00 0.00 54.58 50.09 3iss n ASN 350 Cb 0.00 -0.65 -0.16 0.00 -2.08 0.00 0.00 39.78 36.88 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 -3.22 1.32 -0.22 5.53 2.01 -0.31 -1.49 115.64 119.27 3iss s THR 351 Ca 0.46 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 3iss s THR 351 Cb 0.41 -1.17 -0.05 0.00 0.01 0.00 0.00 72.50 71.70 3iss s THR 351 CO 0.02 0.39 0.14 0.54 -0.69 0.00 0.00 174.62 175.02 3iss s VAL 352 N 0.39 5.36 -0.31 3.82 0.11 0.19 -1.01 120.40 128.95 3iss s VAL 352 Ca -0.11 0.18 -0.12 0.00 -2.93 0.00 0.00 61.98 59.00 3iss s VAL 352 Cb -0.14 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.20 3iss s VAL 352 CO 0.04 0.39 0.24 -0.63 -3.33 0.00 0.00 175.10 171.80 3iss s ILE 353 N 0.75 5.28 -0.09 7.04 1.01 0.16 -1.53 121.20 133.81 3iss s ILE 353 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 3iss s ILE 353 Cb -0.12 -3.63 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 3iss s ILE 353 CO 0.02 0.12 -0.06 0.00 0.00 0.00 0.00 174.94 175.02 3iss s HIS 355 N -0.51 3.36 0.24 0.00 3.76 -0.33 -1.95 115.29 119.86 3iss s HIS 355 Ca 0.08 -2.59 -0.31 0.00 -0.15 0.00 0.00 55.06 52.09 3iss s HIS 355 Cb -0.12 -2.38 -0.12 0.00 1.11 0.00 0.00 32.58 31.07 3iss s HIS 355 CO 0.02 -0.91 1.68 0.20 -0.85 0.00 0.00 174.74 174.89 3iss s GLY 356 N 1.05 1.50 0.29 -2.22 0.00 -0.71 -4.21 107.32 103.03 3iss s GLY 356 Ca 0.02 1.59 0.08 0.00 0.00 0.00 0.00 44.72 46.40 3iss s GLY 356 CO -0.08 2.77 0.20 -1.34 0.00 0.00 0.00 173.10 174.66 3iss s VAL 357 N 0.79 3.91 0.07 1.40 -7.23 -0.18 -4.71 120.40 114.45 3iss s VAL 357 Ca 0.71 -1.48 -0.18 0.00 -1.81 0.00 0.00 61.98 59.22 3iss s VAL 357 Cb -0.49 -3.23 -0.11 0.00 0.56 0.00 0.00 36.38 33.11 3iss s VAL 357 CO 0.37 -0.28 1.40 -0.33 -0.31 0.00 0.00 175.10 175.95 3iss h GLU 358 N 1.46 0.50 -2.80 4.82 4.39 -1.87 -3.38 114.58 117.71 3iss h GLU 358 Ca -0.46 -0.25 -0.11 0.00 0.34 0.00 0.00 59.36 58.88 3iss h GLU 358 Cb 1.25 -0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.69 3iss h GLU 358 CO 0.60 0.81 -0.19 -1.59 -1.16 0.00 0.00 179.01 177.48 3iss s LYS 359 N -4.44 0.69 0.46 2.33 -2.85 -1.26 -5.02 119.74 109.64 3iss s LYS 359 Ca -0.13 0.06 0.01 0.00 -1.00 0.00 0.00 55.97 54.91 3iss s LYS 359 Cb 0.07 0.31 0.00 0.00 -2.06 0.00 0.00 37.83 36.16 3iss s LYS 359 CO 0.78 -0.18 0.67 -0.51 0.10 0.00 0.00 175.35 176.21 3iss s LEU 360 N -0.93 3.61 -0.04 2.77 1.43 -1.26 -4.95 118.68 119.30 3iss s LEU 360 Ca -0.10 0.15 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 3iss s LEU 360 Cb -0.04 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 43.12 3iss s LEU 360 CO 0.04 -0.76 -0.21 -0.44 0.23 0.00 0.00 176.35 175.21 3iss s SER 361 N -4.26 3.43 0.60 2.29 0.01 0.07 0.31 113.70 116.15 3iss s SER 361 Ca 0.50 -0.38 -0.19 0.00 1.31 0.00 0.00 55.95 57.19 3iss s SER 361 Cb -0.10 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.44 3iss s SER 361 CO 0.37 0.31 1.24 0.61 0.41 0.00 0.00 173.24 176.18 3iss n GLY 362 N 2.54 0.42 3.81 3.44 0.00 -0.84 -4.42 105.19 110.13 3iss n GLY 362 Ca -0.17 -0.09 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.38 -1.62 -0.11 4.61 0.00 -1.11 -4.81 121.76 117.34 3iss s ALA 363 Ca 0.77 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 52.42 3iss s ALA 363 Cb -0.40 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 3iss s ALA 363 CO 0.45 -1.05 0.68 -0.65 0.00 0.00 0.00 175.76 175.19 3iss s GLN 364 N -2.72 4.36 0.09 0.00 -0.21 -1.26 -1.97 119.66 117.95 3iss s GLN 364 Ca 0.17 0.80 0.02 0.00 0.02 0.00 0.00 55.36 56.37 3iss s GLN 364 Cb -0.02 -3.49 -0.04 0.00 1.00 0.00 0.00 33.01 30.46 3iss s GLN 364 CO 0.04 -0.05 -0.07 0.14 -2.12 0.00 0.00 175.29 173.22 3iss s VAL 365 N 1.23 0.71 -0.16 1.09 -7.23 0.07 -4.95 120.40 111.16 3iss s VAL 365 Ca 0.35 -1.79 0.01 0.00 -1.81 0.00 0.00 61.98 58.73 3iss s VAL 365 Cb -0.17 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.27 3iss s VAL 365 CO 0.15 -0.77 -0.18 -0.32 -0.31 0.00 0.00 175.10 173.67 3iss s MET 366 N -3.42 3.12 0.39 4.82 1.75 -1.26 -0.46 119.30 124.25 3iss s MET 366 Ca 0.08 -0.79 -0.24 0.00 -1.25 0.00 0.00 55.69 53.50 3iss s MET 366 Cb 0.02 -2.58 -0.10 0.00 2.84 0.00 0.00 34.83 35.02 3iss s MET 366 CO -0.03 -0.05 1.00 0.00 -0.65 0.00 0.00 175.02 175.29 3iss s ALA 367 N 0.94 3.09 0.00 4.11 0.00 -0.87 -4.95 121.76 124.08 3iss s ALA 367 Ca -0.03 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.52 3iss s ALA 367 Cb -0.15 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.74 3iss s ALA 367 CO -0.03 -0.06 0.00 0.25 0.00 0.00 0.00 175.76 175.91 3iss n THR 368 N -0.11 0.00 -3.97 0.00 -2.24 -1.26 -4.85 114.28 101.86 3iss n THR 368 Ca 0.05 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.54 3iss n THR 368 Cb 0.51 0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 69.17 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 2.82 0.27 3.42 -1.08 -1.26 -5.02 116.67 115.82 3iss s ASP 369 Ca 0.00 -0.60 0.15 0.00 -0.52 0.00 0.00 52.55 51.58 3iss s ASP 369 Cb 0.00 -1.08 0.98 0.00 -1.46 0.00 0.00 42.92 41.36 3iss s ASP 369 CO 0.00 -0.12 1.15 -0.11 0.52 0.00 0.00 175.17 176.61 3iss n LEU 370 N 4.80 0.25 -0.06 -1.34 7.94 -1.26 -1.61 117.00 125.71 3iss n LEU 370 Ca -0.15 1.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.86 3iss n LEU 370 Cb 0.49 -0.59 -0.06 0.00 0.53 0.00 0.00 43.42 43.79 3iss n LEU 370 CO 0.19 -1.35 -0.92 0.54 -1.11 0.00 0.00 177.39 174.74 3iss n ARG 371 N -4.64 0.31 -0.01 1.96 5.12 -1.26 -4.14 116.66 113.98 3iss n ARG 371 Ca 0.28 0.08 -0.01 0.00 -1.93 0.00 0.00 57.85 56.27 3iss n ARG 371 Cb 0.93 -1.19 0.26 0.00 -1.16 0.00 0.00 32.46 31.31 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 1.29 0.00 7.54 0.00 -1.80 -2.69 119.26 123.49 3iss h ALA 372 Ca -0.29 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3iss h ALA 372 Cb 1.40 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3iss h ALA 372 CO -0.08 0.48 0.00 0.43 0.00 0.00 0.00 179.25 180.08 3iss n SER 373 N -4.24 0.55 0.15 0.00 7.64 -0.64 -1.69 113.62 115.40 3iss n SER 373 Ca 0.01 0.66 0.17 0.00 1.01 0.00 0.00 58.87 60.72 3iss n SER 373 Cb 0.28 -0.77 0.77 0.00 -1.01 0.00 0.00 64.21 63.48 3iss n SER 373 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3iss h ALA 374 N 2.24 2.02 0.00 -0.43 0.00 -1.70 0.50 119.26 121.88 3iss h ALA 374 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iss h ALA 374 Cb 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 3iss h ALA 374 CO 0.00 -0.39 -0.16 0.66 0.00 0.00 0.00 179.25 179.36 3iss h SER 375 N 0.00 0.00 -0.41 0.00 4.64 -1.54 -1.18 113.55 115.06 3iss h SER 375 Ca 0.13 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 3iss h SER 375 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3iss h SER 375 CO -0.00 0.16 -0.23 -0.07 -0.87 0.00 0.00 176.83 175.82 3iss h LEU 376 N 0.00 0.91 -0.14 5.97 3.38 -1.10 0.30 115.31 124.62 3iss h LEU 376 Ca -0.00 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.55 3iss h LEU 376 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3iss h LEU 376 CO 0.02 1.12 0.06 0.58 0.09 0.00 0.00 178.44 180.31 3iss h VAL 377 N 0.69 1.16 -0.52 1.22 2.07 -1.38 -1.50 116.25 117.98 3iss h VAL 377 Ca 0.09 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.21 3iss h VAL 377 Cb 0.80 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 3iss h VAL 377 CO 0.07 0.15 0.17 -0.07 0.02 0.00 0.00 177.57 177.91 3iss h LEU 378 N 0.07 0.16 -0.86 2.57 4.07 -1.19 -1.38 115.31 118.75 3iss h LEU 378 Ca 0.05 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.14 3iss h LEU 378 Cb 0.18 0.06 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 3iss h LEU 378 CO -0.00 0.11 0.53 0.00 -1.08 0.00 0.00 178.44 178.00 3iss h ALA 379 N 1.36 1.19 -0.99 1.53 0.00 -0.68 -1.68 119.26 119.99 3iss h ALA 379 Ca 0.26 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.24 3iss h ALA 379 Cb 0.29 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 3iss h ALA 379 CO -0.27 0.27 0.63 0.78 0.00 0.00 0.00 179.25 180.66 3iss h GLY 380 N 0.97 1.54 1.91 0.00 0.00 -0.20 -0.39 103.07 106.89 3iss h GLY 380 Ca 0.38 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 3iss h GLY 380 CO -0.18 0.28 -0.12 0.00 0.00 0.00 0.00 176.54 176.51 3iss n ILE 382 N -4.33 0.00 -1.59 0.00 -5.35 -0.76 -1.74 119.36 105.59 3iss n ILE 382 Ca -0.02 -0.29 -0.31 0.00 -0.27 0.00 0.00 62.75 61.86 3iss n ILE 382 Cb 0.23 1.10 0.05 0.00 -1.74 0.00 0.00 39.64 39.28 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 -1.90 2.68 -0.54 -1.28 0.00 -0.23 -4.51 121.76 115.98 3iss s ALA 383 Ca 0.09 0.04 -0.26 0.00 0.00 0.00 0.00 51.96 51.83 3iss s ALA 383 Cb 0.11 -3.16 0.03 0.00 0.00 0.00 0.00 23.12 20.10 3iss s ALA 383 CO 0.42 -1.23 1.03 -2.00 0.00 0.00 0.00 175.76 173.98 3iss s GLU 384 N -5.07 3.45 0.00 0.00 2.56 0.15 -1.72 118.70 118.07 3iss s GLU 384 Ca 0.58 0.03 0.00 0.00 0.00 0.00 0.00 54.97 55.58 3iss s GLU 384 Cb -0.14 -4.01 0.00 0.00 2.00 0.00 0.00 34.13 31.99 3iss s GLU 384 CO 0.55 -1.48 0.00 0.41 -0.56 0.00 0.00 175.26 174.17 3iss n GLY 385 N 5.05 0.44 3.37 -1.50 0.00 -0.09 -1.99 105.19 110.47 3iss n GLY 385 Ca 0.05 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 43.95 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 3.18 -0.06 2.61 2.01 -1.26 -1.03 115.64 121.09 3iss s THR 386 Ca 0.00 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.45 3iss s THR 386 Cb 0.00 -2.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.13 3iss s THR 386 CO 0.00 0.51 -0.22 -0.89 -0.69 0.00 0.00 174.62 173.33 3iss s THR 387 N 0.54 2.34 -0.21 -0.82 2.01 -0.15 -2.73 115.64 116.63 3iss s THR 387 Ca -0.07 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.95 3iss s THR 387 Cb -0.15 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.49 3iss s THR 387 CO 0.03 0.57 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.74 3iss s VAL 388 N -0.24 2.79 -0.48 3.82 1.01 -0.83 -0.44 120.40 126.03 3iss s VAL 388 Ca -0.01 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 3iss s VAL 388 Cb -0.13 -2.27 0.07 0.00 0.00 0.00 0.00 36.38 34.05 3iss s VAL 388 CO 0.03 0.42 0.41 -0.69 0.00 0.00 0.00 175.10 175.27 3iss s VAL 389 N 1.38 5.22 0.40 2.92 1.01 0.35 -0.75 120.40 130.92 3iss s VAL 389 Ca 0.04 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 3iss s VAL 389 Cb -0.14 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 32.00 3iss s VAL 389 CO -0.07 -0.60 1.01 -0.62 0.00 0.00 0.00 175.10 174.82 3iss s ASP 390 N 2.65 6.84 -0.33 3.32 2.15 0.40 -1.69 116.67 130.01 3iss s ASP 390 Ca 0.05 1.92 -0.02 0.00 0.43 0.00 0.00 52.55 54.93 3iss s ASP 390 Cb -0.24 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 3iss s ASP 390 CO 0.07 -0.43 0.29 -1.14 -0.17 0.00 0.00 175.17 173.79 3iss n ARG 391 N -0.19 -1.95 0.00 4.34 0.63 -1.17 -2.05 116.66 116.27 3iss n ARG 391 Ca 0.05 0.20 0.09 0.00 -0.92 0.00 0.00 57.85 57.27 3iss n ARG 391 Cb 0.51 -3.33 0.51 0.00 0.45 0.00 0.00 32.46 30.60 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 -3.11 0.00 0.27 5.15 -5.35 -1.23 -3.29 119.36 111.79 3iss n ILE 392 Ca 0.00 0.00 0.10 0.00 -0.27 0.00 0.00 62.75 62.59 3iss n ILE 392 Cb 0.51 -0.55 0.72 0.00 -1.74 0.00 0.00 39.64 38.58 3iss n ILE 392 CO 0.00 0.00 0.00 0.10 -1.76 0.00 0.00 176.55 174.89 3iss h TYR 393 N 0.00 0.00 0.01 4.28 -0.00 -1.90 0.85 116.97 120.20 3iss h TYR 393 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 58.73 58.76 3iss h TYR 393 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.69 3iss h TYR 393 CO 0.00 0.03 -0.19 0.45 -0.00 0.00 0.00 178.16 178.45 3iss h HIS 394 N 0.00 -0.50 -0.38 0.10 3.86 -1.93 -2.71 115.15 113.60 3iss h HIS 394 Ca -0.00 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3iss h HIS 394 Cb 0.07 0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 3iss h HIS 394 CO 0.00 -0.27 0.19 0.82 0.86 0.00 0.00 177.93 179.53 3iss h ILE 395 N -0.31 1.13 0.00 2.45 2.04 -1.11 -0.89 117.51 120.81 3iss h ILE 395 Ca 0.06 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 3iss h ILE 395 Cb 0.38 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3iss h ILE 395 CO -0.17 0.14 -0.06 0.44 0.00 0.00 0.00 178.15 178.50 3iss h ASP 396 N 0.52 0.00 0.93 1.72 3.32 -0.99 -0.33 116.42 121.58 3iss h ASP 396 Ca 0.13 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 3iss h ASP 396 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3iss h ASP 396 CO -0.02 0.06 -0.25 0.03 -1.72 0.00 0.00 179.24 177.34 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -0.92 -2.72 114.38 117.38 3iss h ARG 397 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3iss h ARG 397 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3iss h ARG 397 CO 0.01 0.25 -1.28 0.41 -1.07 0.00 0.00 179.97 178.28 3iss n GLY 398 N 0.18 -0.24 3.07 0.04 0.00 -0.28 -3.74 105.19 104.22 3iss n GLY 398 Ca 0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.26 1.15 -0.61 1.61 2.02 -0.38 -4.95 117.35 113.92 3iss s TYR 399 Ca -0.02 -0.25 -0.28 0.00 -0.37 0.00 0.00 57.07 56.15 3iss s TYR 399 Cb 0.03 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.85 3iss s TYR 399 CO 0.21 -0.06 1.23 -2.00 -1.57 0.00 0.00 175.55 173.36 3iss s GLU 400 N -0.12 3.43 -0.97 -0.62 2.12 -1.26 -4.40 118.70 116.88 3iss s GLU 400 Ca 0.02 0.16 -0.12 0.00 0.36 0.00 0.00 54.97 55.39 3iss s GLU 400 Cb -0.07 -4.06 -0.00 0.00 0.26 0.00 0.00 34.13 30.27 3iss s GLU 400 CO 0.00 -1.80 0.71 0.54 -0.54 0.00 0.00 175.26 174.17 3iss n ARG 401 N 8.66 -1.25 0.19 4.30 1.74 -1.26 -4.87 116.66 124.17 3iss n ARG 401 Ca 0.08 0.73 0.04 0.00 -0.77 0.00 0.00 57.85 57.93 3iss n ARG 401 Cb 0.49 -3.78 0.38 0.00 -1.02 0.00 0.00 32.46 28.53 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 -1.00 1.11 -0.15 0.55 2.10 -1.96 -2.95 117.51 115.21 3iss h ILE 402 Ca -0.53 -1.33 -0.12 0.00 1.08 0.00 0.00 64.86 63.96 3iss h ILE 402 Cb 1.30 1.75 -0.01 0.00 -1.09 0.00 0.00 36.82 38.77 3iss h ILE 402 CO 0.41 0.36 -0.44 1.05 -1.08 0.00 0.00 178.15 178.45 3iss h GLU 403 N 0.00 0.37 -0.14 2.19 9.09 -1.97 -1.53 114.58 122.59 3iss h GLU 403 Ca -0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 59.36 59.19 3iss h GLU 403 Cb 0.72 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.82 3iss h GLU 403 CO 0.05 0.74 0.01 -0.44 0.05 0.00 0.00 179.01 179.42 3iss h ASP 404 N 0.30 0.24 -0.74 3.06 3.32 -1.89 -0.59 116.42 120.12 3iss h ASP 404 Ca 0.02 -0.29 -0.04 0.00 0.02 0.00 0.00 57.03 56.74 3iss h ASP 404 Cb 0.90 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3iss h ASP 404 CO 0.08 0.47 0.29 0.11 -1.72 0.00 0.00 179.24 178.47 3iss h LYS 405 N 0.00 1.11 -0.44 3.56 1.57 -1.52 -1.68 116.57 119.16 3iss h LYS 405 Ca 0.04 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.50 3iss h LYS 405 Cb 0.34 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3iss h LYS 405 CO 0.01 0.91 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.55 3iss h LEU 406 N 1.07 0.91 -0.71 2.94 3.38 -1.21 -2.94 115.31 118.75 3iss h LEU 406 Ca 0.25 -0.39 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3iss h LEU 406 Cb 0.22 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3iss h LEU 406 CO -0.02 1.10 0.43 -0.09 0.09 0.00 0.00 178.44 179.95 3iss h ARG 407 N 0.72 0.96 0.00 1.13 2.43 -1.00 -0.54 114.38 118.09 3iss h ARG 407 Ca 0.10 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3iss h ARG 407 Cb 0.73 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3iss h ARG 407 CO 0.06 0.68 0.00 0.00 -1.51 0.00 0.00 179.97 179.19 3iss n ALA 408 N -2.32 1.46 0.39 2.80 0.00 -0.64 -0.29 120.51 121.91 3iss n ALA 408 Ca 0.06 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.56 3iss n ALA 408 Cb 0.05 -1.12 0.14 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.36 2.89 0.00 0.00 4.77 -0.32 -4.70 117.00 118.28 3iss n LEU 409 Ca 0.03 -1.35 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3iss n LEU 409 Cb 0.07 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3iss n LEU 409 CO 0.06 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.33 3iss n GLY 410 N 1.09 0.87 3.75 -0.72 0.00 0.60 -1.57 105.19 109.21 3iss n GLY 410 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.88 4.61 0.00 -0.55 -4.78 121.76 121.60 3iss s ALA 411 Ca 0.00 0.99 -0.17 0.00 0.00 0.00 0.00 51.96 52.78 3iss s ALA 411 Cb 0.00 -3.39 0.16 0.00 0.00 0.00 0.00 23.12 19.89 3iss s ALA 411 CO 0.00 -0.34 0.99 1.21 0.00 0.00 0.00 175.76 177.62 3iss s ASN 412 N -0.38 6.65 -0.06 0.00 3.84 -1.26 -4.34 114.94 119.39 3iss s ASN 412 Ca 0.49 -2.22 -0.07 0.00 0.21 0.00 0.00 52.86 51.27 3iss s ASN 412 Cb -0.34 -2.33 0.02 0.00 -0.55 0.00 0.00 41.25 38.05 3iss s ASN 412 CO 0.41 -0.91 0.19 -0.51 -2.79 0.00 0.00 177.10 173.50 3iss s ILE 413 N 1.85 0.01 -0.04 -5.21 2.07 -1.26 -0.04 121.20 118.58 3iss s ILE 413 Ca 0.27 -0.10 -0.09 0.00 -1.41 0.00 0.00 60.65 59.31 3iss s ILE 413 Cb -0.07 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.23 3iss s ILE 413 CO -0.08 -0.05 0.22 -1.83 -1.91 0.00 0.00 174.94 171.29 3iss s GLU 414 N -0.12 0.43 -0.24 3.50 -1.05 -0.08 -4.98 118.70 116.16 3iss s GLU 414 Ca -0.02 -0.01 -0.10 0.00 -0.15 0.00 0.00 54.97 54.69 3iss s GLU 414 Cb -0.02 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.82 3iss s GLU 414 CO 0.01 -0.09 0.14 0.50 0.95 0.00 0.00 175.26 176.76 3iss s ARG 415 N -0.67 3.96 0.31 -4.83 3.52 -1.26 -0.97 118.95 119.01 3iss s ARG 415 Ca -0.08 -0.33 0.11 0.00 -0.13 0.00 0.00 55.73 55.30 3iss s ARG 415 Cb -0.04 -3.48 -0.06 0.00 -1.56 0.00 0.00 34.95 29.81 3iss s ARG 415 CO 0.02 -0.01 -0.13 0.14 -0.81 0.00 0.00 175.30 174.51 3iss s VAL 416 N 1.21 2.41 -0.41 7.11 -7.23 -0.54 -4.96 120.40 117.99 3iss s VAL 416 Ca 0.06 -2.27 0.04 0.00 -1.81 0.00 0.00 61.98 58.01 3iss s VAL 416 Cb -0.14 -2.51 0.47 0.00 0.56 0.00 0.00 36.38 34.75 3iss s VAL 416 CO 0.05 -0.29 1.51 0.29 -0.31 0.00 0.00 175.10 176.35 3iss n LYS 417 N -0.73 3.04 0.00 4.82 4.76 -1.26 -1.66 118.16 127.12 3iss n LYS 417 Ca -0.05 -3.73 0.00 0.00 -2.87 0.00 0.00 58.31 51.66 3iss n LYS 417 Cb 0.62 -2.21 0.00 0.00 -1.84 0.00 0.00 35.03 31.60 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44