#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 4.29 0.05 7.83 1.11 -1.26 -3.99 116.67 124.70 3iss s ASP 2 Ca 0.00 2.30 -0.02 0.00 0.18 0.00 0.00 52.55 55.01 3iss s ASP 2 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 3iss s ASP 2 CO 0.00 -2.20 -0.01 -0.54 1.18 0.00 0.00 175.17 173.60 3iss s LYS 3 N -3.96 0.63 -0.19 8.23 1.02 -0.64 -3.60 119.74 121.23 3iss s LYS 3 Ca 0.73 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 55.47 3iss s LYS 3 Cb -0.28 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.22 3iss s LYS 3 CO 0.45 -0.12 0.04 -0.06 -0.92 0.00 0.00 175.35 174.74 3iss s PHE 4 N -3.88 3.15 -0.20 3.18 0.08 -0.25 -1.60 117.98 118.47 3iss s PHE 4 Ca 0.07 -0.14 -0.10 0.00 0.12 0.00 0.00 56.93 56.87 3iss s PHE 4 Cb 0.07 -2.09 -0.05 0.00 -0.57 0.00 0.00 43.02 40.39 3iss s PHE 4 CO -0.10 -0.02 0.14 0.50 -0.10 0.00 0.00 175.22 175.64 3iss s ARG 5 N 0.68 4.19 -0.03 0.44 3.52 0.50 -0.79 118.95 127.47 3iss s ARG 5 Ca 0.02 -0.20 0.04 0.00 -0.13 0.00 0.00 55.73 55.46 3iss s ARG 5 Cb -0.14 -3.42 -0.00 0.00 -1.56 0.00 0.00 34.95 29.83 3iss s ARG 5 CO 0.02 0.30 -0.13 0.08 -0.81 0.00 0.00 175.30 174.76 3iss s VAL 6 N 0.36 1.07 -0.14 7.11 1.01 0.45 -0.82 120.40 129.43 3iss s VAL 6 Ca 0.09 -0.54 0.02 0.00 0.00 0.00 0.00 61.98 61.55 3iss s VAL 6 Cb -0.11 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3iss s VAL 6 CO -0.02 0.31 -0.19 -1.10 0.00 0.00 0.00 175.10 174.11 3iss s GLN 7 N -0.03 3.12 0.32 2.72 -1.52 0.06 -0.81 119.66 123.52 3iss s GLN 7 Ca -0.00 -0.81 0.05 0.00 -1.95 0.00 0.00 55.36 52.64 3iss s GLN 7 Cb -0.08 -2.51 -0.02 0.00 -0.22 0.00 0.00 33.01 30.18 3iss s GLN 7 CO 0.01 0.02 0.33 0.41 -0.25 0.00 0.00 175.29 175.81 3iss n GLY 8 N 4.00 2.73 3.83 3.09 0.00 -0.17 -4.13 105.19 114.53 3iss n GLY 8 Ca -0.19 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3iss n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iss s PRO 9 N -3.12 3.32 -0.15 1.61 0.04 -0.71 -0.87 135.00 135.13 3iss s PRO 9 Ca 0.34 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 3iss s PRO 9 Cb 0.01 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3iss s PRO 9 CO 0.24 -0.79 0.40 -0.08 0.04 0.00 0.00 177.00 176.81 3iss s THR 10 N -2.87 -0.01 -0.33 1.26 -1.32 -0.57 -4.99 115.64 106.81 3iss s THR 10 Ca 0.59 0.03 -0.15 0.00 -1.21 0.00 0.00 61.69 60.94 3iss s THR 10 Cb -0.13 -0.57 -0.02 0.00 -1.51 0.00 0.00 72.50 70.27 3iss s THR 10 CO 0.47 0.01 0.38 -0.75 -2.21 0.00 0.00 174.62 172.51 3iss s LYS 11 N 0.54 3.68 -0.29 7.08 2.20 -1.26 -4.59 119.74 127.10 3iss s LYS 11 Ca -0.03 -0.29 -0.25 0.00 -0.36 0.00 0.00 55.97 55.04 3iss s LYS 11 Cb -0.04 -3.77 0.00 0.00 -1.51 0.00 0.00 37.83 32.51 3iss s LYS 11 CO -0.03 -0.47 0.88 -0.51 -0.36 0.00 0.00 175.35 174.85 3iss s LEU 12 N 2.06 4.05 0.11 5.43 1.43 -1.26 -4.70 118.68 125.81 3iss s LEU 12 Ca 0.13 0.88 -0.15 0.00 -1.03 0.00 0.00 54.13 53.96 3iss s LEU 12 Cb -0.16 -3.24 0.03 0.00 0.03 0.00 0.00 46.19 42.85 3iss s LEU 12 CO 0.11 -0.66 0.36 0.00 0.23 0.00 0.00 176.35 176.39 3iss s GLN 13 N 3.10 1.01 0.00 1.70 -2.07 -0.27 -3.39 119.66 119.74 3iss s GLN 13 Ca 0.37 -0.74 0.00 0.00 -1.82 0.00 0.00 55.36 53.16 3iss s GLN 13 Cb -0.14 0.44 0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3iss s GLN 13 CO 0.12 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.12 3iss n GLY 14 N -0.15 0.23 3.19 2.60 0.00 -0.54 -4.43 105.19 106.09 3iss n GLY 14 Ca -0.16 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.04 3iss n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iss s GLU 15 N -0.71 1.03 -0.02 1.61 -1.05 -1.26 -1.57 118.70 116.73 3iss s GLU 15 Ca 0.00 -1.50 -0.06 0.00 -0.15 0.00 0.00 54.97 53.26 3iss s GLU 15 Cb 0.00 0.03 0.01 0.00 -0.44 0.00 0.00 34.13 33.73 3iss s GLU 15 CO 0.00 -0.22 0.14 0.54 0.95 0.00 0.00 175.26 176.67 3iss s VAL 16 N -3.89 0.05 -0.25 1.83 0.11 -0.44 -4.82 120.40 112.98 3iss s VAL 16 Ca 0.25 -0.44 -0.10 0.00 -2.93 0.00 0.00 61.98 58.76 3iss s VAL 16 Cb 0.07 -0.35 -0.05 0.00 -1.53 0.00 0.00 36.38 34.53 3iss s VAL 16 CO 0.04 -0.24 0.15 -0.89 -3.33 0.00 0.00 175.10 170.82 3iss s THR 17 N -0.83 5.18 0.05 5.04 2.01 -1.26 -0.42 115.64 125.41 3iss s THR 17 Ca -0.09 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3iss s THR 17 Cb -0.05 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3iss s THR 17 CO 0.01 0.33 1.11 -0.63 -0.69 0.00 0.00 174.62 174.75 3iss s ILE 18 N 1.23 4.33 0.83 1.82 -1.09 0.31 -4.94 121.20 123.70 3iss s ILE 18 Ca 0.07 1.70 -0.12 0.00 -2.23 0.00 0.00 60.65 60.07 3iss s ILE 18 Cb -0.14 -4.09 0.09 0.00 -1.58 0.00 0.00 42.46 36.74 3iss s ILE 18 CO 0.06 0.15 1.13 -0.44 -1.23 0.00 0.00 174.94 174.61 3iss s SER 19 N 0.93 4.23 0.68 3.58 0.01 -1.26 -4.83 113.70 117.04 3iss s SER 19 Ca 0.55 1.02 -0.16 0.00 1.31 0.00 0.00 55.95 58.67 3iss s SER 19 Cb -0.26 -1.64 0.01 0.00 0.21 0.00 0.00 66.02 64.34 3iss s SER 19 CO 0.29 -2.10 1.19 -0.83 0.41 0.00 0.00 173.24 172.20 3iss s GLY 20 N -4.18 2.40 -0.16 3.44 0.00 -1.24 -1.73 107.32 105.85 3iss s GLY 20 Ca 0.62 0.84 -0.29 0.00 0.00 0.00 0.00 44.72 45.89 3iss s GLY 20 CO 0.52 1.23 1.75 0.00 0.00 0.00 0.00 173.10 176.61 3iss s ALA 21 N -1.97 3.28 0.25 3.20 0.00 0.20 -4.36 121.76 122.37 3iss s ALA 21 Ca 0.74 0.69 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 3iss s ALA 21 Cb -0.28 -3.87 0.51 0.00 0.00 0.00 0.00 23.12 19.48 3iss s ALA 21 CO 0.42 -1.95 1.73 -0.22 0.00 0.00 0.00 175.76 175.74 3iss h LYS 22 N 11.17 0.47 -0.21 0.00 3.64 -1.91 -0.00 116.57 129.73 3iss h LYS 22 Ca -0.38 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 3iss h LYS 22 Cb 1.18 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 3iss h LYS 22 CO 0.98 0.31 0.00 0.09 -2.27 0.00 0.00 179.45 178.56 3iss n ASN 23 N -4.98 1.34 -0.10 4.20 3.02 -1.26 -1.99 115.26 115.49 3iss n ASN 23 Ca 0.16 -1.86 -0.16 0.00 -0.03 0.00 0.00 54.58 52.68 3iss n ASN 23 Cb 0.45 -0.14 -0.09 0.00 -0.61 0.00 0.00 39.78 39.38 3iss n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iss n ALA 24 N 0.18 1.56 -0.10 5.41 0.00 -0.67 -4.46 120.51 122.44 3iss n ALA 24 Ca 0.11 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.61 3iss n ALA 24 Cb 0.24 0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.16 0.24 0.15 0.00 0.00 -0.89 -2.32 119.26 116.28 3iss h ALA 25 Ca -0.48 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3iss h ALA 25 Cb 1.67 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 3iss h ALA 25 CO -0.12 -0.45 -0.13 -0.07 0.00 0.00 0.00 179.25 178.48 3iss h LEU 26 N 0.01 -0.33 -1.15 0.00 4.07 -1.65 0.37 115.31 116.63 3iss h LEU 26 Ca 0.17 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 3iss h LEU 26 Cb 0.25 0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 3iss h LEU 26 CO -0.35 -0.20 -0.09 -0.65 -1.08 0.00 0.00 178.44 176.07 3iss h PRO 27 N -0.29 0.48 -0.12 1.13 0.11 -1.77 -2.87 132.00 128.67 3iss h PRO 27 Ca -0.00 -0.13 -0.03 0.00 0.11 0.00 0.00 66.00 65.95 3iss h PRO 27 Cb 0.27 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 3iss h PRO 27 CO -0.02 0.58 -0.02 0.82 -0.21 0.00 0.00 178.00 179.15 3iss h ILE 28 N 0.45 1.28 -0.98 4.15 2.04 -1.00 -0.06 117.51 123.40 3iss h ILE 28 Ca 0.09 -0.94 0.19 0.00 1.00 0.00 0.00 64.86 65.20 3iss h ILE 28 Cb 0.44 1.66 -0.09 0.00 -0.74 0.00 0.00 36.82 38.09 3iss h ILE 28 CO 0.02 0.27 0.61 -0.07 0.00 0.00 0.00 178.15 178.99 3iss h LEU 29 N -0.07 0.67 0.00 1.44 4.07 -0.85 -1.31 115.31 119.26 3iss h LEU 29 Ca 0.03 0.07 -0.22 0.00 0.08 0.00 0.00 57.88 57.85 3iss h LEU 29 Cb 0.43 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 42.09 3iss h LEU 29 CO 0.01 0.25 -1.06 -0.26 -1.08 0.00 0.00 178.44 176.30 3iss h PHE 30 N 0.66 0.01 0.00 1.13 0.04 -1.28 -3.05 116.94 114.45 3iss h PHE 30 Ca 0.54 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 61.28 3iss h PHE 30 Cb 0.98 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.12 3iss h PHE 30 CO -0.00 1.01 -0.13 0.00 -0.60 0.00 0.00 178.31 178.58 3iss h ALA 31 N 0.99 1.22 0.00 2.45 0.00 -0.06 -2.70 119.26 121.17 3iss h ALA 31 Ca -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iss h ALA 31 Cb 1.79 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.56 3iss h ALA 31 CO 0.13 0.17 -0.01 0.00 0.00 0.00 0.00 179.25 179.53 3iss h ALA 32 N 1.87 1.32 0.00 0.00 0.00 -1.16 -1.14 119.26 120.15 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 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3iss h ALA 32 CO 0.02 0.01 0.02 -0.07 0.00 0.00 0.00 179.25 179.23 3iss h LEU 33 N 0.00 0.00 0.00 0.00 3.38 -1.63 -0.55 115.31 116.51 3iss h LEU 33 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3iss h LEU 33 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3iss h LEU 33 CO 0.00 0.00 -0.53 -0.07 0.09 0.00 0.00 178.44 177.94 3iss h LEU 34 N 0.00 0.00 -9.74 1.67 3.38 -1.43 -3.47 115.31 105.72 3iss h LEU 34 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3iss h LEU 34 Cb 0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iss h LEU 34 CO 0.00 0.45 0.49 0.00 0.09 0.00 0.00 178.44 179.47 3iss s ALA 35 N -2.99 3.40 -0.78 1.53 0.00 -0.21 -4.44 121.76 118.26 3iss s ALA 35 Ca 0.04 0.88 0.21 0.00 0.00 0.00 0.00 51.96 53.09 3iss s ALA 35 Cb 0.07 -3.34 -0.20 0.00 0.00 0.00 0.00 23.12 19.65 3iss s ALA 35 CO 0.74 -0.20 0.85 0.39 0.00 0.00 0.00 175.76 177.54 3iss n GLU 36 N 1.70 0.15 -4.44 0.00 1.02 0.20 -4.45 120.64 114.81 3iss n GLU 36 Ca 0.01 -0.04 -0.24 0.00 -0.02 0.00 0.00 57.16 56.87 3iss n GLU 36 Cb 0.45 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.12 1.80 1.11 3.49 0.41 -1.23 -4.63 118.70 116.54 3iss s GLU 37 Ca 0.05 -1.71 -0.18 0.00 -0.41 0.00 0.00 54.97 52.72 3iss s GLU 37 Cb 0.16 -1.84 0.12 0.00 -1.78 0.00 0.00 34.13 30.78 3iss s GLU 37 CO 0.87 0.33 0.12 -2.30 -0.49 0.00 0.00 175.26 173.79 3iss n PRO 38 N -0.68 -1.56 -3.64 0.39 -0.02 -1.26 -3.75 135.00 124.48 3iss n PRO 38 Ca -0.05 -0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 60.90 3iss n PRO 38 Cb 0.60 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.26 3iss n PRO 38 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iss s VAL 39 N -2.26 0.00 -0.15 -1.45 0.11 -0.75 -2.27 120.40 113.63 3iss s VAL 39 Ca 0.57 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.63 3iss s VAL 39 Cb -0.14 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.73 3iss s VAL 39 CO 0.66 0.00 -0.19 -0.70 -3.33 0.00 0.00 175.10 171.54 3iss s GLU 40 N 1.12 2.77 -0.23 1.54 2.12 -0.09 -1.24 118.70 124.69 3iss s GLU 40 Ca -0.06 -0.75 -0.07 0.00 0.36 0.00 0.00 54.97 54.45 3iss s GLU 40 Cb -0.05 -2.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.95 3iss s GLU 40 CO -0.12 -0.14 0.06 0.42 -0.54 0.00 0.00 175.26 174.94 3iss s ILE 41 N 1.16 4.35 0.20 -3.70 1.09 0.15 -1.64 121.20 122.81 3iss s ILE 41 Ca 0.00 -0.17 0.03 0.00 -1.10 0.00 0.00 60.65 59.41 3iss s ILE 41 Cb -0.14 -3.01 -0.03 0.00 -1.06 0.00 0.00 42.46 38.22 3iss s ILE 41 CO -0.08 0.37 0.34 -1.10 -0.10 0.00 0.00 174.94 174.37 3iss s GLN 42 N 1.31 3.46 -1.16 2.79 -0.21 0.15 0.95 119.66 126.94 3iss s GLN 42 Ca 0.05 -0.59 -0.05 0.00 0.02 0.00 0.00 55.36 54.78 3iss s GLN 42 Cb -0.15 -2.90 0.01 0.00 1.00 0.00 0.00 33.01 30.97 3iss s GLN 42 CO 0.03 0.45 1.00 -1.71 -2.12 0.00 0.00 175.29 172.95 3iss n ASN 43 N -0.91 -4.53 -4.72 5.90 5.15 -0.94 -1.75 115.26 113.47 3iss n ASN 43 Ca -0.07 -0.51 -0.38 0.00 -0.60 0.00 0.00 54.58 53.02 3iss n ASN 43 Cb 0.55 -4.59 -0.06 0.00 -0.53 0.00 0.00 39.78 35.15 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 -3.30 5.19 0.59 3.44 1.01 -1.15 -3.59 120.40 122.59 3iss s VAL 44 Ca 0.34 0.91 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 3iss s VAL 44 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3iss s VAL 44 CO 0.65 0.32 1.15 -2.16 0.00 0.00 0.00 175.10 175.06 3iss s PRO 45 N 0.70 3.10 -0.83 2.72 0.04 -1.26 -4.74 135.00 134.73 3iss s PRO 45 Ca 0.25 1.62 -0.18 0.00 0.04 0.00 0.00 61.00 62.73 3iss s PRO 45 Cb -0.15 -1.97 0.14 0.00 0.04 0.00 0.00 34.50 32.57 3iss s PRO 45 CO 0.10 -1.06 0.96 0.15 0.04 0.00 0.00 177.00 177.19 3iss s LYS 46 N -3.49 3.47 0.07 4.56 1.02 -1.26 -4.86 119.74 119.26 3iss s LYS 46 Ca 0.73 -1.80 0.05 0.00 0.02 0.00 0.00 55.97 54.97 3iss s LYS 46 Cb -0.25 -4.64 -0.03 0.00 -0.52 0.00 0.00 37.83 32.39 3iss s LYS 46 CO 0.32 -1.62 -0.14 -0.51 -0.92 0.00 0.00 175.35 172.48 3iss s LEU 47 N 2.16 2.28 0.41 3.17 1.43 -1.26 -4.44 118.68 122.42 3iss s LEU 47 Ca 0.25 -0.63 0.07 0.00 -1.03 0.00 0.00 54.13 52.79 3iss s LEU 47 Cb -0.10 -0.53 0.85 0.00 0.03 0.00 0.00 46.19 46.44 3iss s LEU 47 CO -0.05 -0.07 2.05 0.50 0.23 0.00 0.00 176.35 179.01 3iss h LYS 48 N 4.26 0.55 -0.07 1.70 1.63 -1.65 -1.63 116.57 121.36 3iss h LYS 48 Ca -0.41 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.33 3iss h LYS 48 Cb 1.19 -0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 3iss h LYS 48 CO 0.40 0.37 -0.10 -0.44 -3.45 0.00 0.00 179.45 176.23 3iss h ASP 49 N 0.57 0.09 -0.19 4.20 5.19 -1.83 0.36 116.42 124.82 3iss h ASP 49 Ca 0.16 -0.01 -0.12 0.00 -0.62 0.00 0.00 57.03 56.44 3iss h ASP 49 Cb -0.04 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3iss h ASP 49 CO -0.04 0.20 -0.34 0.58 -3.12 0.00 0.00 179.24 176.53 3iss h VAL 50 N 0.09 1.34 -0.18 -1.35 2.07 -1.62 -2.54 116.25 114.06 3iss h VAL 50 Ca 0.02 -1.57 0.05 0.00 0.82 0.00 0.00 66.70 66.02 3iss h VAL 50 Cb 0.24 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.85 3iss h VAL 50 CO 0.01 0.48 -0.13 0.44 0.02 0.00 0.00 177.57 178.40 3iss h ASP 51 N 0.22 -0.41 -1.00 0.57 3.32 -0.93 -0.45 116.42 117.74 3iss h ASP 51 Ca 0.01 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.20 3iss h ASP 51 Cb 0.93 0.21 -0.06 0.00 0.22 0.00 0.00 39.33 40.63 3iss h ASP 51 CO 0.08 -0.17 0.65 0.74 -1.72 0.00 0.00 179.24 178.82 3iss h THR 52 N -0.13 1.12 -0.27 0.35 2.02 -1.01 0.05 112.91 115.03 3iss h THR 52 Ca 0.11 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.86 3iss h THR 52 Cb 0.29 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3iss h THR 52 CO -0.26 0.22 0.13 0.28 0.37 0.00 0.00 175.52 176.26 3iss h SER 53 N 1.21 0.36 -0.12 4.18 0.02 -0.93 -1.59 113.55 116.67 3iss h SER 53 Ca 0.42 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 3iss h SER 53 Cb 0.11 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 3iss h SER 53 CO -0.16 0.39 0.08 0.24 -1.14 0.00 0.00 176.83 176.24 3iss h MET 54 N 0.31 0.16 -0.73 3.45 2.07 -0.58 0.53 114.93 120.13 3iss h MET 54 Ca 0.09 -0.01 0.14 0.00 -2.07 0.00 0.00 59.70 57.85 3iss h MET 54 Cb 0.13 -0.04 -0.09 0.00 -1.87 0.00 0.00 31.60 29.73 3iss h MET 54 CO -0.01 0.12 0.28 -0.22 1.07 0.00 0.00 176.91 178.15 3iss h LYS 55 N 0.15 0.41 0.05 1.72 1.63 -0.89 0.14 116.57 119.79 3iss h LYS 55 Ca 0.04 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 3iss h LYS 55 Cb -0.00 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.54 3iss h LYS 55 CO -0.01 0.27 -0.02 1.25 -3.45 0.00 0.00 179.45 177.49 3iss h LEU 56 N 0.43 -0.06 -0.34 5.20 5.85 -0.73 -1.75 115.31 123.91 3iss h LEU 56 Ca 0.40 -0.25 0.08 0.00 0.84 0.00 0.00 57.88 58.95 3iss h LEU 56 Cb 0.59 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.56 3iss h LEU 56 CO -0.40 0.22 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.65 3iss h LEU 57 N -0.33 -0.65 -0.34 2.25 4.07 -0.20 -1.50 115.31 118.61 3iss h LEU 57 Ca -0.01 0.14 0.05 0.00 0.08 0.00 0.00 57.88 58.14 3iss h LEU 57 Cb 0.30 0.34 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 3iss h LEU 57 CO 0.01 -0.23 0.09 -1.28 -1.08 0.00 0.00 178.44 175.95 3iss h SER 58 N -0.15 0.05 -0.42 -0.43 0.87 -0.74 -0.83 113.55 111.92 3iss h SER 58 Ca 0.17 0.05 0.11 0.00 -1.23 0.00 0.00 61.79 60.90 3iss h SER 58 Cb 0.41 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3iss h SER 58 CO -0.43 0.07 0.30 -0.61 -0.53 0.00 0.00 176.83 175.62 3iss h GLN 59 N 0.21 0.04 0.00 2.24 4.15 -0.48 0.28 115.11 121.55 3iss h GLN 59 Ca 0.16 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3iss h GLN 59 Cb 0.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 3iss h GLN 59 CO -0.19 0.02 0.00 1.28 -1.93 0.00 0.00 178.83 178.01 3iss n LEU 60 N -4.42 0.39 0.00 -2.39 4.77 -0.36 -4.80 117.00 110.18 3iss n LEU 60 Ca 0.07 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 3iss n LEU 60 Cb 0.47 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3iss n LEU 60 CO 0.36 -0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3iss n GLY 61 N 1.28 1.17 3.87 -0.72 0.00 0.99 -2.17 105.19 109.60 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 3.24 -0.30 4.61 0.00 -0.92 -3.78 121.76 122.62 3iss s ALA 62 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.72 3iss s ALA 62 Cb 0.00 -2.86 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 3iss s ALA 62 CO 0.00 -0.15 0.39 0.15 0.00 0.00 0.00 175.76 176.16 3iss s LYS 63 N -4.05 3.85 -0.02 0.00 3.01 0.63 -4.19 119.74 118.96 3iss s LYS 63 Ca 0.54 -0.10 0.04 0.00 -1.01 0.00 0.00 55.97 55.44 3iss s LYS 63 Cb -0.10 -3.71 -0.01 0.00 -1.01 0.00 0.00 37.83 33.00 3iss s LYS 63 CO 0.33 -0.39 -0.14 0.08 0.51 0.00 0.00 175.35 175.75 3iss s VAL 64 N 2.10 1.11 0.12 3.17 1.01 -1.26 -0.34 120.40 126.31 3iss s VAL 64 Ca 0.15 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3iss s VAL 64 Cb -0.16 -0.94 0.07 0.00 0.00 0.00 0.00 36.38 35.35 3iss s VAL 64 CO 0.11 0.32 0.60 -1.83 0.00 0.00 0.00 175.10 174.30 3iss s GLU 65 N -0.13 1.22 0.31 2.72 -1.05 -0.64 -5.00 118.70 116.12 3iss s GLU 65 Ca 0.02 -0.35 -0.12 0.00 -0.15 0.00 0.00 54.97 54.37 3iss s GLU 65 Cb -0.07 0.56 0.01 0.00 -0.44 0.00 0.00 34.13 34.19 3iss s GLU 65 CO 0.00 -0.50 0.58 -0.98 0.95 0.00 0.00 175.26 175.31 3iss s ARG 66 N -3.25 1.83 0.00 -4.83 1.70 -1.26 0.11 118.95 113.25 3iss s ARG 66 Ca -0.01 -1.39 0.00 0.00 -0.47 0.00 0.00 55.73 53.86 3iss s ARG 66 Cb -0.01 0.52 0.00 0.00 -0.57 0.00 0.00 34.95 34.89 3iss s ARG 66 CO -0.08 -0.80 0.24 -0.25 -1.08 0.00 0.00 175.30 173.33 3iss n ASP 67 N -0.88 0.00 0.00 -2.89 8.00 -1.26 -4.98 116.55 114.54 3iss n ASP 67 Ca -0.03 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.71 3iss n ASP 67 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 3iss n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3iss n GLY 68 N 0.07 0.02 3.31 0.44 0.00 -1.26 -5.14 105.19 102.62 3iss n GLY 68 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.24 2.35 -0.09 1.61 0.01 -1.26 -2.20 113.70 112.88 3iss s SER 69 Ca 0.00 -0.95 0.01 0.00 1.31 0.00 0.00 55.95 56.32 3iss s SER 69 Cb 0.00 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 66.10 3iss s SER 69 CO 0.00 -0.17 -0.10 -0.69 0.41 0.00 0.00 173.24 172.70 3iss s VAL 70 N -2.69 3.42 -0.19 3.43 1.01 0.27 -4.37 120.40 121.27 3iss s VAL 70 Ca 0.17 -0.56 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3iss s VAL 70 Cb -0.02 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3iss s VAL 70 CO 0.05 0.56 0.03 -1.00 0.00 0.00 0.00 175.10 174.74 3iss s HIS 71 N -0.34 3.13 -0.10 5.22 3.76 0.31 -0.67 115.29 126.60 3iss s HIS 71 Ca 0.04 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 54.77 3iss s HIS 71 Cb -0.13 -2.08 0.01 0.00 1.11 0.00 0.00 32.58 31.50 3iss s HIS 71 CO 0.02 -0.05 -0.14 0.42 -0.85 0.00 0.00 174.74 174.14 3iss s ILE 72 N 0.70 1.37 -0.31 0.60 1.01 -0.38 -1.63 121.20 122.57 3iss s ILE 72 Ca 0.01 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3iss s ILE 72 Cb -0.14 -1.25 0.08 0.00 0.01 0.00 0.00 42.46 41.16 3iss s ILE 72 CO 0.02 0.41 -0.00 -0.62 0.00 0.00 0.00 174.94 174.75 3iss s ASP 73 N 0.93 4.72 -0.20 3.58 -1.08 0.54 -1.80 116.67 123.36 3iss s ASP 73 Ca -0.08 -1.71 0.16 0.00 -0.52 0.00 0.00 52.55 50.39 3iss s ASP 73 Cb -0.15 -1.63 0.65 0.00 -1.46 0.00 0.00 42.92 40.33 3iss s ASP 73 CO -0.00 -0.30 1.56 0.00 0.52 0.00 0.00 175.17 176.94 3iss n ALA 74 N 4.42 3.35 -0.13 3.66 0.00 -1.26 -0.27 120.51 130.27 3iss n ALA 74 Ca -0.06 -2.11 -0.12 0.00 0.00 0.00 0.00 53.44 51.15 3iss n ALA 74 Cb 0.42 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 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 2.77 0.75 -0.81 0.00 3.08 -1.82 -3.23 114.38 115.12 3iss h ARG 75 Ca 0.00 -0.31 -0.11 0.00 0.07 0.00 0.00 59.98 59.63 3iss h ARG 75 Cb 1.65 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 31.61 3iss h ARG 75 CO 0.33 0.92 0.13 -0.25 -1.07 0.00 0.00 179.97 180.03 3iss n ASP 76 N -4.32 3.97 -4.69 7.04 8.00 -1.26 -4.93 116.55 120.35 3iss n ASP 76 Ca -0.02 -2.76 -0.42 0.00 0.71 0.00 0.00 54.79 52.30 3iss n ASP 76 Cb 0.38 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.80 3iss n ASP 76 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iss s VAL 77 N -2.19 2.58 0.00 2.53 1.01 -1.22 -4.73 120.40 118.38 3iss s VAL 77 Ca 0.37 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.50 3iss s VAL 77 Cb 0.29 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.58 3iss s VAL 77 CO 0.10 0.00 0.00 -0.46 0.00 0.00 0.00 175.10 174.74 3iss n ASN 78 N 5.41 0.00 -4.38 3.32 6.94 -0.92 -5.01 115.26 120.62 3iss n ASN 78 Ca 0.17 -0.64 -0.30 0.00 -0.02 0.00 0.00 54.58 53.79 3iss n ASN 78 Cb 0.38 0.00 -0.14 0.00 -2.36 0.00 0.00 39.78 37.67 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 2.33 -0.13 3.53 0.11 -0.94 -5.06 120.40 120.24 3iss s VAL 79 Ca 0.00 -1.45 0.16 0.00 -2.93 0.00 0.00 61.98 57.76 3iss s VAL 79 Cb 0.00 -1.96 0.39 0.00 -1.53 0.00 0.00 36.38 33.28 3iss s VAL 79 CO 0.00 0.28 1.19 0.49 -3.33 0.00 0.00 175.10 173.73 3iss n PHE 80 N 1.46 0.00 -4.66 1.54 3.72 -1.26 -4.70 117.46 113.57 3iss n PHE 80 Ca -0.17 -1.08 -0.25 0.00 -0.05 0.00 0.00 57.45 55.90 3iss n PHE 80 Cb 0.52 -0.20 -0.16 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 0.52 3.48 0.59 0.00 0.00 0.22 -4.90 121.76 121.67 3iss s ALA 82 Ca -0.13 -1.92 -0.17 0.00 0.00 0.00 0.00 51.96 49.75 3iss s ALA 82 Cb -0.15 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.77 3iss s ALA 82 CO 0.04 -1.81 1.08 -1.25 0.00 0.00 0.00 175.76 173.82 3iss s PRO 83 N 2.04 3.24 0.28 0.00 0.04 -1.26 -2.31 135.00 137.02 3iss s PRO 83 Ca 0.09 1.35 -0.06 0.00 0.04 0.00 0.00 61.00 62.41 3iss s PRO 83 Cb -0.22 -2.01 0.50 0.00 0.04 0.00 0.00 34.50 32.82 3iss s PRO 83 CO 0.09 -0.89 1.57 -0.92 0.04 0.00 0.00 177.00 176.88 3iss h TYR 84 N 0.60 -0.42 -0.24 0.56 3.20 -1.97 -1.53 116.97 117.17 3iss h TYR 84 Ca -0.48 0.08 0.07 0.00 3.14 0.00 0.00 58.73 61.55 3iss h TYR 84 Cb 1.23 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.83 3iss h TYR 84 CO 0.56 -0.42 0.18 -0.44 -1.64 0.00 0.00 178.16 176.40 3iss h ASP 85 N 0.00 0.00 0.00 -2.11 3.32 -2.00 -1.61 116.42 114.02 3iss h ASP 85 Ca 0.49 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.48 3iss h ASP 85 Cb 0.81 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 3iss h ASP 85 CO -0.98 0.00 -0.50 -0.07 -1.72 0.00 0.00 179.24 175.96 3iss h LEU 86 N 0.00 0.00 -1.16 1.55 4.07 -1.65 -3.37 115.31 114.75 3iss h LEU 86 Ca 0.12 -0.36 0.22 0.00 0.08 0.00 0.00 57.88 57.94 3iss h LEU 86 Cb 0.48 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.12 3iss h LEU 86 CO -0.00 0.96 0.62 0.58 -1.08 0.00 0.00 178.44 179.52 3iss h VAL 87 N -1.00 0.62 0.00 1.22 2.07 -1.36 0.23 116.25 118.03 3iss h VAL 87 Ca -0.10 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 3iss h VAL 87 Cb 0.73 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3iss h VAL 87 CO -0.06 0.11 -0.12 0.07 0.02 0.00 0.00 177.57 177.59 3iss h LYS 88 N 0.59 0.00 0.00 1.57 2.10 -1.47 -1.84 116.57 117.52 3iss h LYS 88 Ca 0.59 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.24 3iss h LYS 88 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3iss h LYS 88 CO -0.36 0.12 -0.63 0.25 -2.00 0.00 0.00 179.45 176.83 3iss n THR 89 N -3.59 0.07 -3.14 0.07 -2.24 0.79 -4.77 114.28 101.46 3iss n THR 89 Ca -0.02 -0.07 0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3iss n THR 89 Cb 0.25 0.27 -0.00 0.00 -2.10 0.00 0.00 70.33 68.75 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 -3.05 0.44 0.00 -0.78 -2.45 -0.71 -5.03 119.30 107.73 3iss s MET 90 Ca 0.09 0.31 0.04 0.00 -1.25 0.00 0.00 55.69 54.88 3iss s MET 90 Cb 0.16 0.17 0.16 0.00 1.25 0.00 0.00 34.83 36.57 3iss s MET 90 CO 0.73 -0.79 1.10 2.89 1.05 0.00 0.00 175.02 180.00 3iss n ARG 91 N 5.13 0.01 0.26 4.11 1.85 -1.12 -1.62 116.66 125.27 3iss n ARG 91 Ca 0.07 0.41 0.17 0.00 -1.00 0.00 0.00 57.85 57.50 3iss n ARG 91 Cb 0.56 -1.50 0.65 0.00 -1.05 0.00 0.00 32.46 31.12 3iss n ARG 91 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3iss h ALA 92 N 2.13 1.00 -1.05 2.89 0.00 -1.96 -2.73 119.26 119.55 3iss h ALA 92 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 54.91 55.21 3iss h ALA 92 Cb 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 92 CO 0.00 0.00 0.89 0.77 0.00 0.00 0.00 179.25 180.91 3iss h SER 93 N 0.00 0.00 -0.38 0.00 0.02 -1.64 0.76 113.55 112.31 3iss h SER 93 Ca 0.00 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.06 3iss h SER 93 Cb 0.51 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3iss h SER 93 CO 0.00 0.00 0.51 -0.29 -1.14 0.00 0.00 176.83 175.91 3iss h ILE 94 N 0.00 0.26 0.00 3.27 6.09 -1.74 -0.12 117.51 125.27 3iss h ILE 94 Ca 0.50 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.99 3iss h ILE 94 Cb 2.27 0.58 0.00 0.00 0.47 0.00 0.00 36.82 40.13 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 -3.48 0.35 -0.03 2.19 8.01 0.26 -2.04 117.44 122.70 3iss n TRP 95 Ca 0.07 0.16 -0.06 0.00 -1.31 0.00 0.00 57.50 56.36 3iss n TRP 95 Cb 0.67 -0.75 0.14 0.00 -2.01 0.00 0.00 31.31 29.36 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 2.21 0.98 -0.35 6.99 0.00 -1.24 -3.34 119.26 124.51 3iss h ALA 96 Ca 0.00 -0.36 0.06 0.00 0.00 0.00 0.00 54.91 54.61 3iss h ALA 96 Cb 0.17 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3iss h ALA 96 CO 0.00 0.60 -0.47 1.25 0.00 0.00 0.00 179.25 180.63 3iss h LEU 97 N 0.54 -1.54 0.05 0.00 5.85 -1.63 -2.57 115.31 116.01 3iss h LEU 97 Ca 0.08 0.22 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3iss h LEU 97 Cb 0.71 0.65 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 3iss h LEU 97 CO 0.05 -0.39 -0.37 1.23 -0.34 0.00 0.00 178.44 178.62 3iss h GLY 98 N -0.39 -1.20 0.49 3.75 0.00 -1.79 -2.16 103.07 101.79 3iss h GLY 98 Ca 0.11 0.62 0.07 0.00 0.00 0.00 0.00 47.33 48.14 3iss h GLY 98 CO -0.55 -0.33 0.20 -2.55 0.00 0.00 0.00 176.54 173.31 3iss h PRO 99 N -0.50 0.37 -0.55 4.80 0.11 -1.73 -1.59 132.00 132.92 3iss h PRO 99 Ca 0.00 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 66.17 3iss h PRO 99 Cb 0.51 -0.08 -0.07 0.00 0.11 0.00 0.00 31.00 31.47 3iss h PRO 99 CO -0.22 0.25 0.17 -0.07 -0.21 0.00 0.00 178.00 177.92 3iss h LEU 100 N 0.38 0.14 -0.54 2.35 3.38 -1.19 -0.95 115.31 118.89 3iss h LEU 100 Ca 0.26 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 3iss h LEU 100 Cb 0.29 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3iss h LEU 100 CO -0.26 0.10 -0.56 0.58 0.09 0.00 0.00 178.44 178.39 3iss h VAL 101 N 0.34 1.33 -0.57 1.22 2.07 -0.96 -0.16 116.25 119.52 3iss h VAL 101 Ca 0.27 -1.83 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 3iss h VAL 101 Cb 0.33 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 3iss h VAL 101 CO -0.30 0.56 -0.00 0.00 0.02 0.00 0.00 177.57 177.85 3iss h ALA 102 N 1.01 0.77 0.07 1.67 0.00 -0.55 -2.19 119.26 120.04 3iss h ALA 102 Ca 0.00 -0.31 -0.36 0.00 0.00 0.00 0.00 54.91 54.25 3iss h ALA 102 Cb 1.10 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3iss h ALA 102 CO 0.10 0.60 -2.08 -2.13 0.00 0.00 0.00 179.25 175.74 3iss n ARG 103 N -4.23 0.70 0.00 0.00 0.63 -0.43 -4.54 116.66 108.80 3iss n ARG 103 Ca 0.02 0.26 0.07 0.00 -0.92 0.00 0.00 57.85 57.29 3iss n ARG 103 Cb 0.34 -1.65 0.04 0.00 0.45 0.00 0.00 32.46 31.64 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 -3.57 0.00 -0.90 -0.14 3.72 -0.08 -4.99 117.46 111.50 3iss n PHE 104 Ca -0.37 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 3iss n PHE 104 Cb 0.98 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.52 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 0.89 0.66 3.29 1.37 0.00 -0.82 -4.98 105.19 105.60 3iss n GLY 105 Ca 0.07 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 -0.31 1.05 -0.30 1.61 -2.07 -1.25 -1.05 119.66 117.34 3iss s GLN 106 Ca 0.00 -1.11 -0.22 0.00 -1.82 0.00 0.00 55.36 52.20 3iss s GLN 106 Cb 0.00 0.36 0.18 0.00 -1.09 0.00 0.00 33.01 32.46 3iss s GLN 106 CO 0.00 -0.37 1.32 0.20 -1.32 0.00 0.00 175.29 175.12 3iss s GLY 107 N -2.94 0.33 -0.19 2.60 0.00 -0.73 -2.95 107.32 103.45 3iss s GLY 107 Ca 0.13 3.46 -0.00 0.00 0.00 0.00 0.00 44.72 48.32 3iss s GLY 107 CO -0.04 2.16 -0.06 1.20 0.00 0.00 0.00 173.10 176.36 3iss s GLN 108 N 0.37 1.60 -0.06 2.90 1.11 0.15 -0.58 119.66 125.16 3iss s GLN 108 Ca 0.02 -0.68 0.05 0.00 0.01 0.00 0.00 55.36 54.76 3iss s GLN 108 Cb -0.04 -2.22 -0.01 0.00 -1.01 0.00 0.00 33.01 29.73 3iss s GLN 108 CO -0.13 -0.47 -0.22 0.08 0.01 0.00 0.00 175.29 174.56 3iss s VAL 109 N 1.54 1.85 0.22 1.09 1.01 -0.76 -0.61 120.40 124.74 3iss s VAL 109 Ca -0.01 -0.95 -0.31 0.00 0.00 0.00 0.00 61.98 60.71 3iss s VAL 109 Cb -0.16 -1.58 -0.11 0.00 0.00 0.00 0.00 36.38 34.53 3iss s VAL 109 CO -0.08 0.52 1.65 -0.55 0.00 0.00 0.00 175.10 176.65 3iss s SER 110 N -0.05 6.42 -0.12 3.32 0.15 -0.98 -0.23 113.70 122.21 3iss s SER 110 Ca -0.05 2.84 -0.29 0.00 0.70 0.00 0.00 55.95 59.15 3iss s SER 110 Cb -0.13 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.53 3iss s SER 110 CO 0.04 -0.92 1.46 -0.22 1.20 0.00 0.00 173.24 174.79 3iss s LEU 111 N 0.68 4.23 0.41 3.45 1.98 0.10 -4.83 118.68 124.71 3iss s LEU 111 Ca 0.70 1.93 -0.27 0.00 -2.89 0.00 0.00 54.13 53.61 3iss s LEU 111 Cb -0.48 -3.54 -0.10 0.00 0.66 0.00 0.00 46.19 42.74 3iss s LEU 111 CO 0.36 -0.86 1.45 -2.84 -1.89 0.00 0.00 176.35 172.57 3iss s PRO 112 N 3.81 3.90 0.00 0.98 0.02 -1.26 -5.00 135.00 137.45 3iss s PRO 112 Ca 0.64 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.14 3iss s PRO 112 Cb -0.27 -2.81 0.00 0.00 0.02 0.00 0.00 34.50 31.44 3iss s PRO 112 CO 0.22 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 3iss n GLY 113 N 0.53 1.67 3.76 0.52 0.00 -1.26 -5.02 105.19 105.39 3iss n GLY 113 Ca 0.03 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 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 2.99 0.16 -0.02 0.00 -1.26 -4.92 107.32 104.27 3iss s GLY 114 Ca 0.00 0.80 0.10 0.00 0.00 0.00 0.00 44.72 45.61 3iss s GLY 114 CO 0.00 1.35 -0.16 0.00 0.00 0.00 0.00 173.10 174.30 3iss h THR 116 N 3.11 0.00 0.00 0.00 1.35 -1.96 -3.26 112.91 112.15 3iss h THR 116 Ca -0.48 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 3iss h THR 116 Cb 1.19 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 3iss h THR 116 CO 0.50 0.00 -0.26 2.30 -0.25 0.00 0.00 175.52 177.81 3iss n ILE 117 N -2.73 0.02 -0.48 6.82 -5.35 -1.26 -4.91 119.36 111.46 3iss n ILE 117 Ca 0.04 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3iss n ILE 117 Cb 0.42 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3iss n ILE 117 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iss n GLY 118 N 1.49 0.49 3.71 3.28 0.00 -1.23 -3.43 105.19 109.50 3iss n GLY 118 Ca 0.06 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 3iss n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iss s ALA 119 N -1.06 3.65 -0.37 4.61 0.00 -1.26 -4.32 121.76 123.01 3iss s ALA 119 Ca 0.00 1.16 0.13 0.00 0.00 0.00 0.00 51.96 53.25 3iss s ALA 119 Cb 0.00 -3.60 0.39 0.00 0.00 0.00 0.00 23.12 19.91 3iss s ALA 119 CO 0.00 -0.81 0.84 0.54 0.00 0.00 0.00 175.76 176.33 3iss n ARG 120 N 4.54 1.35 -1.05 0.00 1.74 -1.26 -5.05 116.66 116.93 3iss n ARG 120 Ca 0.13 -3.52 -0.31 0.00 -0.77 0.00 0.00 57.85 53.38 3iss n ARG 120 Cb 0.41 -1.63 0.12 0.00 -1.02 0.00 0.00 32.46 30.35 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 -2.80 1.73 -0.17 5.56 0.04 -1.26 -4.98 135.00 133.11 3iss s PRO 121 Ca 0.37 1.41 0.14 0.00 0.04 0.00 0.00 61.00 62.96 3iss s PRO 121 Cb 0.38 -1.82 0.37 0.00 0.04 0.00 0.00 34.50 33.48 3iss s PRO 121 CO -0.05 -2.08 1.19 1.33 0.04 0.00 0.00 177.00 177.43 3iss n VAL 122 N -3.70 1.96 -0.33 -0.36 0.24 -1.26 -4.80 118.33 110.08 3iss n VAL 122 Ca 0.11 -2.79 0.17 0.00 -2.04 0.00 0.00 64.34 59.79 3iss n VAL 122 Cb 0.52 -0.16 0.41 0.00 -1.47 0.00 0.00 33.84 33.14 3iss n VAL 122 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3iss h ASP 123 N 0.69 0.62 0.39 -1.34 2.03 -2.00 -1.01 116.42 115.80 3iss h ASP 123 Ca -0.01 0.10 -0.10 0.00 -0.73 0.00 0.00 57.03 56.28 3iss h ASP 123 Cb 1.05 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.53 3iss h ASP 123 CO 0.00 0.17 -0.45 -0.07 -1.03 0.00 0.00 179.24 177.87 3iss h LEU 124 N 0.58 0.09 0.27 0.15 3.38 -1.99 0.31 115.31 118.10 3iss h LEU 124 Ca 0.59 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 3iss h LEU 124 Cb 1.18 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3iss h LEU 124 CO -0.36 0.53 -0.13 0.45 0.09 0.00 0.00 178.44 179.02 3iss h HIS 125 N 0.07 -0.34 0.17 1.13 3.86 -1.54 -1.99 115.15 116.52 3iss h HIS 125 Ca 0.00 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3iss h HIS 125 Cb 0.82 0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.38 3iss h HIS 125 CO 0.01 -0.01 -0.24 0.82 0.86 0.00 0.00 177.93 179.37 3iss h ILE 126 N -0.70 0.48 -0.91 2.45 2.04 -1.39 -2.12 117.51 117.36 3iss h ILE 126 Ca -0.04 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.92 3iss h ILE 126 Cb 0.48 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 36.96 3iss h ILE 126 CO 0.06 0.00 0.55 -1.28 0.00 0.00 0.00 178.15 177.48 3iss h SER 127 N -0.47 0.81 -0.64 1.72 0.87 -1.01 -1.21 113.55 113.60 3iss h SER 127 Ca 0.01 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.56 3iss h SER 127 Cb 0.46 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3iss h SER 127 CO -0.10 0.45 0.19 1.23 -0.53 0.00 0.00 176.83 178.07 3iss h GLY 128 N 0.91 1.09 1.10 5.77 0.00 -1.08 -1.35 103.07 109.51 3iss h GLY 128 Ca 0.44 -0.66 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3iss h GLY 128 CO -0.25 0.62 -0.11 1.41 0.00 0.00 0.00 176.54 178.21 3iss h LEU 129 N 0.94 1.05 -1.03 3.11 3.38 -0.79 -2.35 115.31 119.62 3iss h LEU 129 Ca 0.21 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3iss h LEU 129 Cb 0.32 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3iss h LEU 129 CO -0.00 1.16 0.28 -0.33 0.09 0.00 0.00 178.44 179.63 3iss h GLU 130 N 0.92 0.97 0.00 1.13 5.08 -1.04 -1.27 114.58 120.38 3iss h GLU 130 Ca 0.14 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3iss h GLU 130 Cb 0.69 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3iss h GLU 130 CO 0.05 0.78 -0.08 0.37 -1.00 0.00 0.00 179.01 179.13 3iss h GLN 131 N 0.95 0.00 -0.33 2.33 4.15 -1.02 -1.04 115.11 120.16 3iss h GLN 131 Ca 0.23 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.65 3iss h GLN 131 Cb 0.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.86 3iss h GLN 131 CO -0.02 0.08 0.00 1.28 -1.93 0.00 0.00 178.83 178.24 3iss n LEU 132 N -3.24 1.94 0.00 -2.39 4.77 -0.56 -4.76 117.00 112.76 3iss n LEU 132 Ca 0.00 -0.93 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 3iss n LEU 132 Cb 0.33 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3iss n LEU 132 CO 0.29 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 3iss n GLY 133 N 1.11 0.44 3.80 -0.72 0.00 -0.40 -1.50 105.19 107.92 3iss n GLY 133 Ca 0.13 0.00 -0.34 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 -2.00 2.87 -0.17 4.61 0.00 -0.73 -4.86 121.76 121.48 3iss s ALA 134 Ca 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 51.96 52.46 3iss s ALA 134 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3iss s ALA 134 CO 0.00 -0.35 0.04 0.99 0.00 0.00 0.00 175.76 176.44 3iss s THR 135 N -2.06 4.60 -0.06 0.00 2.01 -0.09 -4.24 115.64 115.78 3iss s THR 135 Ca 0.66 -0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.58 3iss s THR 135 Cb -0.16 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3iss s THR 135 CO 0.22 0.47 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.88 3iss s ILE 136 N 0.33 1.03 0.09 1.82 1.01 -1.26 -1.68 121.20 122.54 3iss s ILE 136 Ca 0.02 -0.42 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3iss s ILE 136 Cb -0.13 -0.95 -0.04 0.00 0.01 0.00 0.00 42.46 41.35 3iss s ILE 136 CO 0.01 0.33 -0.07 -0.54 0.00 0.00 0.00 174.94 174.67 3iss s LYS 137 N 0.69 0.81 -0.25 2.79 1.02 -0.58 -4.97 119.74 119.26 3iss s LYS 137 Ca -0.14 -1.29 0.00 0.00 0.02 0.00 0.00 55.97 54.56 3iss s LYS 137 Cb -0.15 -0.23 0.04 0.00 -0.52 0.00 0.00 37.83 36.96 3iss s LYS 137 CO 0.03 -0.01 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.19 3iss s LEU 138 N -2.91 3.18 -0.03 3.17 2.96 -1.26 0.44 118.68 124.23 3iss s LEU 138 Ca 0.10 -1.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.01 3iss s LEU 138 Cb 0.04 -1.61 -0.00 0.00 0.50 0.00 0.00 46.19 45.12 3iss s LEU 138 CO -0.04 -0.14 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.13 3iss s GLU 139 N 1.25 1.12 -1.28 1.98 2.02 -0.64 -4.82 118.70 118.32 3iss s GLU 139 Ca -0.02 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.58 3iss s GLU 139 Cb -0.17 -1.03 0.00 0.00 0.10 0.00 0.00 34.13 33.03 3iss s GLU 139 CO -0.06 0.17 0.00 0.39 0.02 0.00 0.00 175.26 175.78 3iss n GLU 140 N 3.15 -1.83 -0.67 1.61 1.02 -1.26 -0.28 120.64 122.38 3iss n GLU 140 Ca -0.17 0.72 0.00 0.00 -0.02 0.00 0.00 57.16 57.69 3iss n GLU 140 Cb 0.54 -5.20 0.00 0.00 -0.02 0.00 0.00 31.44 26.76 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 -0.63 0.82 3.70 0.62 0.00 -1.26 -5.04 105.19 103.41 3iss n GLY 141 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.23 3.33 -0.38 1.61 2.02 0.62 -0.72 117.35 120.60 3iss s TYR 142 Ca 0.00 0.22 -0.25 0.00 -0.37 0.00 0.00 57.07 56.67 3iss s TYR 142 Cb 0.00 -2.02 0.01 0.00 -0.40 0.00 0.00 41.96 39.55 3iss s TYR 142 CO 0.00 0.33 0.87 0.54 -1.57 0.00 0.00 175.55 175.72 3iss s VAL 143 N -0.08 4.63 -0.31 0.71 0.11 0.68 -1.62 120.40 124.52 3iss s VAL 143 Ca 0.07 0.99 -0.08 0.00 -2.93 0.00 0.00 61.98 60.03 3iss s VAL 143 Cb -0.12 -4.30 0.01 0.00 -1.53 0.00 0.00 36.38 30.44 3iss s VAL 143 CO 0.01 -0.55 0.12 -0.54 -3.33 0.00 0.00 175.10 170.81 3iss s LYS 144 N 3.37 3.05 0.11 1.54 1.02 0.17 -1.82 119.74 127.17 3iss s LYS 144 Ca 0.35 -0.90 0.06 0.00 0.02 0.00 0.00 55.97 55.51 3iss s LYS 144 Cb -0.12 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3iss s LYS 144 CO 0.19 -0.50 -0.05 0.00 -0.92 0.00 0.00 175.35 174.07 3iss s ALA 145 N 1.52 3.12 -0.07 5.17 0.00 0.26 -1.53 121.76 130.22 3iss s ALA 145 Ca 0.02 -1.23 -0.30 0.00 0.00 0.00 0.00 51.96 50.46 3iss s ALA 145 Cb -0.18 -1.01 0.07 0.00 0.00 0.00 0.00 23.12 22.00 3iss s ALA 145 CO 0.04 0.63 0.67 -1.54 0.00 0.00 0.00 175.76 175.56 3iss s SER 146 N -2.40 -0.65 -0.11 0.00 1.04 -0.67 -1.78 113.70 109.13 3iss s SER 146 Ca 0.24 0.76 -0.07 0.00 0.48 0.00 0.00 55.95 57.37 3iss s SER 146 Cb -0.11 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.67 3iss s SER 146 CO 0.16 -0.57 0.27 0.54 0.98 0.00 0.00 173.24 174.63 3iss s VAL 147 N -1.04 -0.03 -0.67 5.02 0.11 -0.21 -0.92 120.40 122.66 3iss s VAL 147 Ca -0.10 0.10 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 3iss s VAL 147 Cb -0.01 -0.41 0.01 0.00 -1.53 0.00 0.00 36.38 34.45 3iss s VAL 147 CO 0.09 0.04 1.45 -0.62 -3.33 0.00 0.00 175.10 172.73 3iss s ASP 148 N 0.97 5.94 0.24 3.54 2.15 -1.26 -4.71 116.67 123.54 3iss s ASP 148 Ca -0.07 -0.10 0.00 0.00 0.43 0.00 0.00 52.55 52.82 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 -1.94 0.00 0.61 -0.17 0.00 0.00 175.17 173.61 3iss n GLY 149 N 5.43 0.75 3.57 2.66 0.00 -1.26 -4.96 105.19 111.39 3iss n GLY 149 Ca 0.09 -1.21 -0.26 0.00 0.00 0.00 0.00 46.02 44.64 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 1.90 0.84 1.61 1.70 -1.26 -4.67 118.95 119.06 3iss s ARG 150 Ca 0.00 -1.91 -0.11 0.00 -0.47 0.00 0.00 55.73 53.24 3iss s ARG 150 Cb 0.00 -1.76 0.09 0.00 -0.57 0.00 0.00 34.95 32.71 3iss s ARG 150 CO 0.00 0.12 1.09 -0.51 -1.08 0.00 0.00 175.30 174.92 3iss s LEU 151 N -3.65 2.57 -0.11 -1.89 1.43 -1.26 -4.80 118.68 110.97 3iss s LEU 151 Ca 0.33 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3iss s LEU 151 Cb 0.02 -4.11 -0.00 0.00 0.03 0.00 0.00 46.19 42.14 3iss s LEU 151 CO 0.17 -2.30 -0.22 -0.54 0.23 0.00 0.00 176.35 173.69 3iss s LYS 152 N -4.97 3.10 0.39 1.70 1.02 -0.56 -0.05 119.74 120.37 3iss s LYS 152 Ca 0.62 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.52 3iss s LYS 152 Cb -0.17 -2.37 -0.12 0.00 -0.52 0.00 0.00 37.83 34.64 3iss s LYS 152 CO 0.56 0.16 0.74 0.41 -0.92 0.00 0.00 175.35 176.30 3iss n GLY 153 N 3.60 -0.97 3.35 -3.33 0.00 -0.30 -4.59 105.19 102.95 3iss n GLY 153 Ca -0.19 0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.32 -0.52 -0.49 4.61 0.00 -1.10 -4.76 121.76 118.17 3iss s ALA 154 Ca 0.63 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.94 3iss s ALA 154 Cb -0.63 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.27 3iss s ALA 154 CO 0.58 -0.65 0.68 -1.58 0.00 0.00 0.00 175.76 174.78 3iss s HIS 155 N -3.88 3.01 -0.25 0.00 2.46 -1.26 -0.82 115.29 114.56 3iss s HIS 155 Ca 0.09 -0.31 -0.03 0.00 0.47 0.00 0.00 55.06 55.28 3iss s HIS 155 Cb 0.02 -3.56 0.01 0.00 -0.13 0.00 0.00 32.58 28.93 3iss s HIS 155 CO -0.06 -1.03 -0.04 0.42 -2.47 0.00 0.00 174.74 171.56 3iss s ILE 156 N 2.89 3.16 -0.31 0.89 1.01 0.48 -4.96 121.20 124.36 3iss s ILE 156 Ca 0.20 -0.82 -0.11 0.00 0.00 0.00 0.00 60.65 59.91 3iss s ILE 156 Cb -0.17 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.73 3iss s ILE 156 CO 0.15 0.25 0.20 -0.69 0.00 0.00 0.00 174.94 174.86 3iss s VAL 157 N 1.39 5.12 -0.05 2.92 1.01 -1.26 -0.99 120.40 128.54 3iss s VAL 157 Ca 0.02 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 3iss s VAL 157 Cb -0.16 -3.55 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3iss s VAL 157 CO -0.03 0.10 0.99 -0.04 0.00 0.00 0.00 175.10 176.12 3iss s MET 158 N 1.71 4.49 0.15 2.72 1.00 -0.85 -4.95 119.30 123.57 3iss s MET 158 Ca 0.06 1.40 -0.17 0.00 0.00 0.00 0.00 55.69 56.99 3iss s MET 158 Cb -0.17 -3.50 0.03 0.00 0.00 0.00 0.00 34.83 31.19 3iss s MET 158 CO 0.10 -0.18 1.76 0.22 0.00 0.00 0.00 175.02 176.92 3iss h ASP 159 N 6.94 0.18 -4.55 3.03 1.82 -1.93 -3.44 116.42 118.47 3iss h ASP 159 Ca -0.36 0.03 -0.39 0.00 -0.39 0.00 0.00 57.03 55.91 3iss h ASP 159 Cb 1.18 -0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.05 3iss h ASP 159 CO 0.80 0.14 -0.58 -1.59 -1.61 0.00 0.00 179.24 176.40 3iss s LYS 160 N -6.16 1.54 -0.18 0.28 -2.85 -1.26 -5.12 119.74 105.98 3iss s LYS 160 Ca -0.13 -1.86 -0.28 0.00 -1.00 0.00 0.00 55.97 52.70 3iss s LYS 160 Cb 0.11 -0.20 -0.00 0.00 -2.06 0.00 0.00 37.83 35.68 3iss s LYS 160 CO 0.71 -0.39 0.97 0.08 0.10 0.00 0.00 175.35 176.82 3iss s VAL 161 N -3.65 4.76 -0.04 1.79 1.01 -1.26 -4.99 120.40 118.03 3iss s VAL 161 Ca 0.36 1.92 -0.02 0.00 0.00 0.00 0.00 61.98 64.24 3iss s VAL 161 Cb 0.06 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.21 3iss s VAL 161 CO 0.16 -0.07 0.06 -0.55 0.00 0.00 0.00 175.10 174.69 3iss s SER 162 N 1.17 0.77 0.06 3.32 0.15 -1.26 -5.00 113.70 112.91 3iss s SER 162 Ca 0.43 0.09 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 3iss s SER 162 Cb -0.16 -0.09 -0.16 0.00 -1.71 0.00 0.00 66.02 63.89 3iss s SER 162 CO 0.11 -0.21 1.60 0.58 1.20 0.00 0.00 173.24 176.52 3iss h VAL 163 N 6.39 1.11 -0.12 4.45 2.07 -1.95 -2.07 116.25 126.13 3iss h VAL 163 Ca -0.23 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 66.97 3iss h VAL 163 Cb 1.12 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3iss h VAL 163 CO 0.25 0.09 0.05 1.23 0.02 0.00 0.00 177.57 179.21 3iss h GLY 164 N -0.14 0.15 1.24 2.17 0.00 -2.00 -2.08 103.07 102.41 3iss h GLY 164 Ca 0.00 -0.03 -0.16 0.00 0.00 0.00 0.00 47.33 47.13 3iss h GLY 164 CO -0.00 0.03 -0.46 0.00 0.00 0.00 0.00 176.54 176.11 3iss h ALA 165 N 1.07 0.60 -0.73 3.60 0.00 -1.92 -1.23 119.26 120.64 3iss h ALA 165 Ca 0.05 -0.48 0.09 0.00 0.00 0.00 0.00 54.91 54.57 3iss h ALA 165 Cb 0.02 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.64 3iss h ALA 165 CO -0.04 0.68 0.39 1.15 0.00 0.00 0.00 179.25 181.42 3iss h THR 166 N 0.65 0.89 -0.23 0.00 2.02 -1.27 -0.81 112.91 114.16 3iss h THR 166 Ca 0.04 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3iss h THR 166 Cb 1.04 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 3iss h THR 166 CO 0.10 0.12 -0.05 0.58 0.37 0.00 0.00 175.52 176.65 3iss h VAL 167 N 0.67 1.28 -0.20 3.16 2.07 -1.12 -1.59 116.25 120.52 3iss h VAL 167 Ca 0.35 -1.03 0.05 0.00 0.82 0.00 0.00 66.70 66.90 3iss h VAL 167 Cb 0.33 1.49 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 3iss h VAL 167 CO -0.25 0.32 -0.17 0.74 0.02 0.00 0.00 177.57 178.23 3iss h THR 168 N 0.18 0.54 -0.18 2.57 2.02 -0.68 -1.17 112.91 116.18 3iss h THR 168 Ca 0.06 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3iss h THR 168 Cb 0.50 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3iss h THR 168 CO 0.02 0.00 -0.06 0.40 0.37 0.00 0.00 175.52 176.26 3iss h ILE 169 N -0.18 1.29 -0.60 3.11 2.04 -1.19 -2.20 117.51 119.78 3iss h ILE 169 Ca 0.12 -1.05 0.07 0.00 1.00 0.00 0.00 64.86 65.01 3iss h ILE 169 Cb 0.36 1.61 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 3iss h ILE 169 CO -0.31 0.31 0.27 -0.03 0.00 0.00 0.00 178.15 178.40 3iss h MET 170 N 0.06 0.48 -0.31 2.37 4.05 -1.11 -1.07 114.93 119.41 3iss h MET 170 Ca 0.04 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.39 3iss h MET 170 Cb 0.51 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.19 3iss h MET 170 CO 0.02 0.32 -0.00 0.00 0.23 0.00 0.00 176.91 177.48 3iss h ALA 172 N 0.84 1.44 0.00 0.00 0.00 -1.00 -2.86 119.26 117.68 3iss h ALA 172 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3iss h ALA 172 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3iss h ALA 172 CO 0.02 0.40 -0.24 0.00 0.00 0.00 0.00 179.25 179.43 3iss h ALA 173 N 1.55 1.08 0.00 0.00 0.00 -1.09 -3.14 119.26 117.67 3iss h ALA 173 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iss h ALA 173 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3iss h ALA 173 CO 0.00 0.30 0.00 1.79 0.00 0.00 0.00 179.25 181.35 3iss h THR 174 N 0.00 0.00 -0.06 0.00 1.35 -1.49 -0.56 112.91 112.15 3iss h THR 174 Ca -0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 3iss h THR 174 Cb 0.69 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.99 3iss h THR 174 CO 0.03 0.00 -0.19 0.18 -0.25 0.00 0.00 175.52 175.29 3iss n LEU 175 N -2.89 2.80 -5.00 3.87 4.77 -1.19 -2.01 117.00 117.36 3iss n LEU 175 Ca -0.03 -3.45 -0.18 0.00 -0.03 0.00 0.00 56.01 52.32 3iss n LEU 175 Cb 0.07 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.68 3iss n LEU 175 CO 0.18 1.02 0.22 0.00 -1.33 0.00 0.00 177.39 177.47 3iss s ALA 176 N -3.04 4.32 -0.49 -1.18 0.00 -0.22 -4.50 121.76 116.64 3iss s ALA 176 Ca 0.36 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.51 3iss s ALA 176 Cb 0.33 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.70 3iss s ALA 176 CO -0.00 -0.43 1.01 -1.21 0.00 0.00 0.00 175.76 175.13 3iss s GLU 177 N -4.48 3.55 0.34 0.00 2.02 0.93 -4.09 118.70 116.96 3iss s GLU 177 Ca 0.56 0.21 0.00 0.00 0.02 0.00 0.00 54.97 55.75 3iss s GLU 177 Cb -0.10 -3.95 0.00 0.00 0.10 0.00 0.00 34.13 30.18 3iss s GLU 177 CO 0.35 -1.35 0.00 0.41 0.02 0.00 0.00 175.26 174.68 3iss n GLY 178 N 4.96 -1.21 3.57 -1.39 0.00 -1.26 -1.14 105.19 108.71 3iss n GLY 178 Ca 0.07 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 3iss n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 179 N 0.00 4.33 -0.02 2.61 2.01 -1.26 -0.74 115.64 122.57 3iss s THR 179 Ca 0.00 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.80 3iss s THR 179 Cb 0.00 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.55 3iss s THR 179 CO 0.00 0.48 0.03 -0.89 -0.69 0.00 0.00 174.62 173.55 3iss s THR 180 N 0.34 4.41 -0.16 -0.82 2.01 0.42 -2.72 115.64 119.11 3iss s THR 180 Ca -0.01 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 3iss s THR 180 Cb -0.13 -2.97 0.05 0.00 0.01 0.00 0.00 72.50 69.45 3iss s THR 180 CO 0.02 0.40 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 3iss s ILE 181 N -1.10 0.73 -0.28 1.82 1.01 -0.00 -0.97 121.20 122.41 3iss s ILE 181 Ca 0.20 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.25 3iss s ILE 181 Cb -0.12 -1.03 -0.03 0.00 0.01 0.00 0.00 42.46 41.29 3iss s ILE 181 CO 0.10 0.02 0.37 -0.63 0.00 0.00 0.00 174.94 174.80 3iss s ILE 182 N 1.79 5.17 0.09 2.92 1.01 -0.14 -0.39 121.20 131.65 3iss s ILE 182 Ca 0.01 0.46 0.03 0.00 0.00 0.00 0.00 60.65 61.15 3iss s ILE 182 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 3iss s ILE 182 CO -0.07 0.11 0.10 -0.70 0.00 0.00 0.00 174.94 174.38 3iss s GLU 183 N 2.06 2.94 -1.12 2.79 2.56 -0.16 -1.46 118.70 126.32 3iss s GLU 183 Ca 0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 54.97 54.37 3iss s GLU 183 Cb -0.16 -2.75 0.01 0.00 2.00 0.00 0.00 34.13 33.23 3iss s GLU 183 CO 0.10 0.56 0.70 -1.71 -0.56 0.00 0.00 175.26 174.36 3iss n ASN 184 N 0.32 -5.25 -4.83 -1.70 4.05 -0.24 -2.01 115.26 105.60 3iss n ASN 184 Ca -0.08 -0.32 -0.32 0.00 0.45 0.00 0.00 54.58 54.30 3iss n ASN 184 Cb 0.52 -3.97 -0.01 0.00 1.23 0.00 0.00 39.78 37.55 3iss n ASN 184 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3iss s ALA 185 N -3.15 2.94 0.30 5.20 0.00 0.36 -4.63 121.76 122.78 3iss s ALA 185 Ca 0.35 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 52.27 3iss s ALA 185 Cb -0.15 -3.16 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 3iss s ALA 185 CO 0.43 -0.48 1.27 0.00 0.00 0.00 0.00 175.76 176.98 3iss s ALA 186 N -2.58 3.49 -1.98 0.00 0.00 -1.26 -4.51 121.76 114.92 3iss s ALA 186 Ca 0.61 1.17 0.22 0.00 0.00 0.00 0.00 51.96 53.96 3iss s ALA 186 Cb -0.12 -3.45 0.61 0.00 0.00 0.00 0.00 23.12 20.16 3iss s ALA 186 CO 0.34 -0.53 1.51 0.54 0.00 0.00 0.00 175.76 177.63 3iss n ARG 187 N 1.20 2.71 -1.59 0.00 3.00 -1.26 -4.66 116.66 116.06 3iss n ARG 187 Ca 0.01 -2.61 -0.47 0.00 -0.01 0.00 0.00 57.85 54.77 3iss n ARG 187 Cb 0.42 -1.55 -0.03 0.00 0.00 0.00 0.00 32.46 31.30 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 1.60 1.29 -0.35 5.56 4.71 -1.26 -4.60 120.64 127.59 3iss n GLU 188 Ca 0.24 0.46 0.24 0.00 -0.01 0.00 0.00 57.16 58.08 3iss n GLU 188 Cb 0.61 -1.92 0.51 0.00 -1.01 0.00 0.00 31.44 29.63 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 3.01 0.36 0.00 3.49 0.11 -1.96 0.19 132.00 137.20 3iss h PRO 189 Ca -0.42 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3iss h PRO 189 Cb 1.34 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3iss h PRO 189 CO 0.68 0.24 -0.12 0.93 -0.21 0.00 0.00 178.00 179.51 3iss h GLU 190 N 0.37 0.00 0.02 1.05 3.07 -1.88 -1.26 114.58 115.94 3iss h GLU 190 Ca 0.65 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 59.28 3iss h GLU 190 Cb 1.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.55 3iss h GLU 190 CO -0.38 0.12 -0.98 0.82 -1.40 0.00 0.00 179.01 177.20 3iss h ILE 191 N 0.00 1.42 -0.23 3.13 2.04 -0.95 -1.79 117.51 121.13 3iss h ILE 191 Ca -0.00 -2.54 -0.01 0.00 1.00 0.00 0.00 64.86 63.31 3iss h ILE 191 Cb 0.39 2.49 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 3iss h ILE 191 CO 0.02 0.75 0.10 0.58 0.00 0.00 0.00 178.15 179.60 3iss h VAL 192 N 0.20 1.16 -0.65 1.67 2.07 -1.21 -1.56 116.25 117.93 3iss h VAL 192 Ca -0.09 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3iss h VAL 192 Cb 1.63 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 3iss h VAL 192 CO 0.17 0.16 0.36 -0.78 0.02 0.00 0.00 177.57 177.49 3iss h ASP 193 N 0.23 0.81 -0.77 0.57 3.58 -1.19 -0.51 116.42 119.13 3iss h ASP 193 Ca 0.08 -0.09 -0.03 0.00 0.42 0.00 0.00 57.03 57.41 3iss h ASP 193 Cb 0.16 -0.20 -0.04 0.00 1.72 0.00 0.00 39.33 40.97 3iss h ASP 193 CO -0.01 0.67 0.38 0.74 -2.88 0.00 0.00 179.24 178.14 3iss h THR 194 N 0.88 1.24 -0.31 2.25 2.02 -1.23 -0.82 112.91 116.94 3iss h THR 194 Ca 0.23 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.72 3iss h THR 194 Cb 0.04 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3iss h THR 194 CO -0.04 0.29 0.13 0.00 0.37 0.00 0.00 175.52 176.27 3iss h ALA 195 N 1.20 0.40 -0.48 6.16 0.00 -0.78 -1.76 119.26 124.00 3iss h ALA 195 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iss h ALA 195 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3iss h ALA 195 CO -0.04 -0.01 0.22 -0.91 0.00 0.00 0.00 179.25 178.51 3iss h ASN 196 N 0.36 0.61 -0.37 0.00 2.35 -0.79 -0.19 115.58 117.54 3iss h ASN 196 Ca 0.10 -0.06 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3iss h ASN 196 Cb 0.17 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 3iss h ASN 196 CO -0.01 0.54 0.15 0.15 -1.65 0.00 0.00 177.43 176.61 3iss h PHE 197 N 0.68 0.57 -0.52 1.19 3.57 -1.04 -2.26 116.94 119.13 3iss h PHE 197 Ca 0.17 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.64 3iss h PHE 197 Cb 0.10 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 3iss h PHE 197 CO 0.01 0.51 0.33 -0.07 -2.23 0.00 0.00 178.31 176.86 3iss h LEU 198 N 0.46 0.57 -0.98 0.59 3.38 -0.64 -2.26 115.31 116.42 3iss h LEU 198 Ca 0.12 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3iss h LEU 198 Cb 0.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 3iss h LEU 198 CO -0.01 0.41 0.65 0.40 0.09 0.00 0.00 178.44 179.97 3iss h ILE 199 N 0.68 1.25 -0.48 1.22 2.04 -1.04 -1.16 117.51 120.01 3iss h ILE 199 Ca 0.20 -0.45 0.09 0.00 1.00 0.00 0.00 64.86 65.70 3iss h ILE 199 Cb -0.05 -0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 35.81 3iss h ILE 199 CO -0.06 0.24 0.33 0.74 0.00 0.00 0.00 178.15 179.40 3iss h THR 200 N 1.32 0.88 -0.00 -0.27 2.02 -0.83 0.13 112.91 116.16 3iss h THR 200 Ca 0.36 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.46 3iss h THR 200 Cb -0.15 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3iss h THR 200 CO -0.08 0.04 -0.06 0.18 0.37 0.00 0.00 175.52 175.98 3iss n LEU 201 N -4.46 0.23 0.00 2.58 4.77 -0.55 -4.87 117.00 114.70 3iss n LEU 201 Ca 0.07 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3iss n LEU 201 Cb 0.38 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3iss n LEU 201 CO 0.35 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 3iss n GLY 202 N 1.26 1.31 3.88 -0.72 0.00 0.46 -1.19 105.19 110.20 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 3.03 -0.39 4.61 0.00 -0.58 -4.93 121.76 121.50 3iss s ALA 203 Ca 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 51.96 51.67 3iss s ALA 203 Cb 0.00 -2.97 0.11 0.00 0.00 0.00 0.00 23.12 20.26 3iss s ALA 203 CO 0.00 -0.92 0.12 0.15 0.00 0.00 0.00 175.76 175.11 3iss s LYS 204 N -5.23 1.68 0.01 0.00 1.02 -1.26 -4.33 119.74 111.64 3iss s LYS 204 Ca 0.56 -1.99 0.04 0.00 0.02 0.00 0.00 55.97 54.60 3iss s LYS 204 Cb -0.11 -3.31 -0.01 0.00 -0.52 0.00 0.00 37.83 33.87 3iss s LYS 204 CO 0.51 -1.00 -0.13 0.42 -0.92 0.00 0.00 175.35 174.23 3iss s ILE 205 N 0.76 1.06 0.00 2.17 1.01 -1.26 -0.97 121.20 123.97 3iss s ILE 205 Ca 0.11 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 3iss s ILE 205 Cb -0.21 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.36 3iss s ILE 205 CO -0.06 0.20 0.17 -0.94 0.00 0.00 0.00 174.94 174.31 3iss s SER 206 N -0.57 -0.00 0.00 3.58 1.04 -0.24 -4.90 113.70 112.61 3iss s SER 206 Ca 0.04 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.28 3iss s SER 206 Cb -0.06 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.29 3iss s SER 206 CO 0.00 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 3iss n GLY 207 N 1.32 0.76 3.66 7.32 0.00 -1.26 -0.22 105.19 116.77 3iss n GLY 207 Ca -0.22 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 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 1.98 -0.08 1.61 0.00 -1.26 -0.80 117.38 116.82 3iss n GLN 208 Ca 0.00 0.71 0.00 0.00 0.00 0.00 0.00 57.00 57.71 3iss n GLN 208 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 27.88 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 2.27 1.04 3.84 2.61 0.00 -1.26 -4.93 105.19 108.75 3iss n GLY 209 Ca 0.12 0.00 -0.27 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 -2.46 1.81 -1.02 2.61 -4.23 0.02 -4.78 115.64 107.58 3iss s THR 210 Ca 0.00 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.10 3iss s THR 210 Cb 0.00 -2.43 0.18 0.00 1.34 0.00 0.00 72.50 71.60 3iss s THR 210 CO 0.00 0.00 1.67 -0.90 -0.54 0.00 0.00 174.62 174.85 3iss n ASP 211 N -1.53 0.00 -4.00 3.99 5.68 -1.26 -4.62 116.55 114.81 3iss n ASP 211 Ca -0.04 0.47 -0.31 0.00 -0.50 0.00 0.00 54.79 54.41 3iss n ASP 211 Cb 0.65 -0.49 -0.16 0.00 -1.14 0.00 0.00 41.12 39.98 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 -2.98 2.06 -0.15 0.11 3.52 -1.26 -0.48 118.95 119.77 3iss s ARG 212 Ca 0.11 -0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 54.81 3iss s ARG 212 Cb 0.14 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 31.05 3iss s ARG 212 CO 0.38 -0.43 -0.07 0.42 -0.81 0.00 0.00 175.30 174.79 3iss s ILE 213 N 1.38 3.64 -0.19 4.11 1.01 -0.53 -4.33 121.20 126.28 3iss s ILE 213 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3iss s ILE 213 Cb -0.16 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 3iss s ILE 213 CO -0.08 0.50 -0.11 -0.69 0.00 0.00 0.00 174.94 174.57 3iss s VAL 214 N 0.34 2.95 -0.17 2.92 1.01 0.69 -0.97 120.40 127.17 3iss s VAL 214 Ca -0.06 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3iss s VAL 214 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3iss s VAL 214 CO 0.04 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 3iss s ILE 215 N 1.15 2.46 -0.35 2.22 1.09 -0.14 -1.08 121.20 126.55 3iss s ILE 215 Ca 0.01 -0.82 -0.13 0.00 -1.10 0.00 0.00 60.65 58.61 3iss s ILE 215 Cb -0.14 -2.04 -0.01 0.00 -1.06 0.00 0.00 42.46 39.20 3iss s ILE 215 CO -0.03 0.52 0.24 -0.70 -0.10 0.00 0.00 174.94 174.86 3iss s GLU 216 N 1.05 3.40 0.36 2.79 2.56 -0.15 -0.44 118.70 128.28 3iss s GLU 216 Ca -0.01 -0.71 -0.28 0.00 0.00 0.00 0.00 54.97 53.97 3iss s GLU 216 Cb -0.14 -3.80 -0.11 0.00 2.00 0.00 0.00 34.13 32.07 3iss s GLU 216 CO -0.05 -0.48 1.46 0.20 -0.56 0.00 0.00 175.26 175.83 3iss s GLY 217 N 1.70 2.91 0.36 -1.50 0.00 0.08 -3.99 107.32 106.88 3iss s GLY 217 Ca 0.06 1.52 0.06 0.00 0.00 0.00 0.00 44.72 46.36 3iss s GLY 217 CO 0.10 2.21 0.00 -1.34 0.00 0.00 0.00 173.10 174.08 3iss s VAL 218 N -1.06 1.76 -0.26 1.40 -7.23 -0.85 -4.68 120.40 109.47 3iss s VAL 218 Ca 0.53 -2.04 0.23 0.00 -1.81 0.00 0.00 61.98 58.88 3iss s VAL 218 Cb -0.45 -2.84 0.03 0.00 0.56 0.00 0.00 36.38 33.67 3iss s VAL 218 CO 0.60 -0.06 1.09 1.05 -0.31 0.00 0.00 175.10 177.48 3iss h GLU 219 N 1.95 0.00 -2.29 4.82 4.11 -1.91 -3.39 114.58 117.88 3iss h GLU 219 Ca -0.42 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.99 3iss h GLU 219 Cb 1.24 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 30.32 3iss h GLU 219 CO 0.75 0.00 0.27 -0.98 0.07 0.00 0.00 179.01 179.12 3iss s ARG 220 N -3.35 1.05 0.08 1.06 1.70 -1.26 -5.04 118.95 113.18 3iss s ARG 220 Ca 0.00 -0.04 0.08 0.00 -0.47 0.00 0.00 55.73 55.30 3iss s ARG 220 Cb 0.09 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.92 3iss s ARG 220 CO 0.78 -0.39 -0.16 -0.51 -1.08 0.00 0.00 175.30 173.95 3iss s LEU 221 N -1.80 2.76 0.00 -1.89 1.43 -1.26 -4.94 118.68 112.98 3iss s LEU 221 Ca -0.04 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3iss s LEU 221 Cb -0.00 -1.61 0.00 0.00 0.03 0.00 0.00 46.19 44.61 3iss s LEU 221 CO -0.00 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3iss n GLY 222 N 1.10 1.74 0.00 -3.19 0.00 -0.33 -0.63 105.19 103.88 3iss n GLY 222 Ca -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3iss n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iss n GLY 223 N 5.00 5.65 0.00 -0.02 0.00 -1.25 -3.15 105.19 111.42 3iss n GLY 223 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 3.22 -0.03 3.03 -0.02 0.00 -0.96 -4.59 105.19 105.85 3iss n GLY 224 Ca 0.00 -1.57 -0.22 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.62 1.00 -0.07 1.61 1.01 -1.26 -0.91 120.40 119.16 3iss s VAL 225 Ca 0.00 -0.46 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3iss s VAL 225 Cb 0.00 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.52 3iss s VAL 225 CO 0.00 0.31 0.17 -0.47 0.00 0.00 0.00 175.10 175.11 3iss s TYR 226 N 0.26 -0.20 -0.22 5.22 5.04 -0.65 -5.00 117.35 121.80 3iss s TYR 226 Ca -0.05 0.50 -0.09 0.00 -2.44 0.00 0.00 57.07 54.98 3iss s TYR 226 Cb -0.11 0.03 -0.05 0.00 0.35 0.00 0.00 41.96 42.19 3iss s TYR 226 CO 0.01 -0.12 0.12 0.50 -1.34 0.00 0.00 175.55 174.72 3iss s ARG 227 N 0.47 4.02 0.25 4.97 3.52 -1.26 0.33 118.95 131.25 3iss s ARG 227 Ca -0.03 -0.30 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 3iss s ARG 227 Cb -0.05 -3.41 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 3iss s ARG 227 CO -0.02 0.12 1.05 0.08 -0.81 0.00 0.00 175.30 175.72 3iss s VAL 228 N 0.84 3.74 0.97 7.11 1.01 -0.72 -4.94 120.40 128.40 3iss s VAL 228 Ca 0.06 1.70 -0.12 0.00 0.00 0.00 0.00 61.98 63.62 3iss s VAL 228 Cb -0.13 -4.08 0.17 0.00 0.00 0.00 0.00 36.38 32.34 3iss s VAL 228 CO 0.02 0.38 1.09 -1.48 0.00 0.00 0.00 175.10 175.11 3iss s LEU 229 N -1.15 1.96 0.59 3.92 2.34 -1.26 -4.66 118.68 120.42 3iss s LEU 229 Ca 0.44 1.59 -0.18 0.00 0.06 0.00 0.00 54.13 56.04 3iss s LEU 229 Cb -0.30 -3.86 -0.03 0.00 -0.56 0.00 0.00 46.19 41.44 3iss s LEU 229 CO 0.37 -3.13 1.15 -2.84 -1.06 0.00 0.00 176.35 170.85 3iss s PRO 230 N -4.78 3.06 -0.52 1.48 0.02 -1.26 -0.63 135.00 132.37 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 -0.20 -1.96 0.03 0.00 0.02 0.00 0.00 34.50 32.38 3iss s PRO 230 CO 0.59 -1.09 1.14 0.34 -0.33 0.00 0.00 177.00 177.65 3iss s ASP 231 N -1.90 6.53 0.37 2.53 -1.08 -0.71 -4.33 116.67 118.09 3iss s ASP 231 Ca 0.73 0.26 0.13 0.00 -0.52 0.00 0.00 52.55 53.14 3iss s ASP 231 Cb -0.25 -2.54 0.72 0.00 -1.46 0.00 0.00 42.92 39.38 3iss s ASP 231 CO 0.33 -1.33 1.82 0.08 0.52 0.00 0.00 175.17 176.59 3iss h ARG 232 N 9.36 0.00 -0.16 4.34 0.11 -1.93 -1.43 114.38 124.67 3iss h ARG 232 Ca -0.24 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.74 3iss h ARG 232 Cb 1.06 -0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.14 3iss h ARG 232 CO 1.14 0.37 -0.28 0.82 0.10 0.00 0.00 179.97 182.13 3iss h ILE 233 N 0.00 1.35 -0.87 0.08 1.08 -1.96 -0.32 117.51 116.88 3iss h ILE 233 Ca -0.00 -1.53 0.02 0.00 -0.39 0.00 0.00 64.86 62.96 3iss h ILE 233 Cb 0.66 1.95 -0.05 0.00 -3.07 0.00 0.00 36.82 36.31 3iss h ILE 233 CO 0.05 0.46 0.57 -0.08 -0.69 0.00 0.00 178.15 178.45 3iss h GLU 234 N 0.10 1.09 -0.08 2.37 4.81 -1.91 -1.30 114.58 119.65 3iss h GLU 234 Ca 0.01 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3iss h GLU 234 Cb 0.87 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 3iss h GLU 234 CO 0.06 0.72 0.03 1.15 -0.73 0.00 0.00 179.01 180.24 3iss h THR 235 N 1.12 0.98 -0.41 0.32 2.02 -1.08 -2.29 112.91 113.57 3iss h THR 235 Ca 0.34 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.47 3iss h THR 235 Cb -0.05 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3iss h THR 235 CO -0.10 0.01 0.15 1.23 0.37 0.00 0.00 175.52 177.18 3iss h GLY 236 N 0.07 0.63 1.07 2.16 0.00 -0.76 -2.01 103.07 104.23 3iss h GLY 236 Ca 0.03 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 3iss h GLY 236 CO -0.03 0.29 0.10 -0.84 0.00 0.00 0.00 176.54 176.06 3iss h THR 237 N 0.59 1.26 0.02 4.70 2.02 -0.70 -0.02 112.91 120.77 3iss h THR 237 Ca 0.14 -1.05 -0.24 0.00 0.77 0.00 0.00 66.41 66.03 3iss h THR 237 Cb 0.14 0.64 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3iss h THR 237 CO -0.01 0.39 -1.00 -0.26 0.37 0.00 0.00 175.52 175.01 3iss h PHE 238 N 1.04 0.73 -1.00 3.16 0.04 -1.26 -1.06 116.94 118.59 3iss h PHE 238 Ca 0.20 -0.41 0.03 0.00 2.80 0.00 0.00 57.97 60.59 3iss h PHE 238 Cb 0.45 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 38.47 3iss h PHE 238 CO 0.03 1.24 0.66 -0.07 -0.60 0.00 0.00 178.31 179.58 3iss h LEU 239 N 0.26 1.12 -0.52 1.54 3.38 -1.14 -1.95 115.31 118.00 3iss h LEU 239 Ca -0.10 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 3iss h LEU 239 Cb 1.65 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 42.13 3iss h LEU 239 CO 0.18 0.78 -0.39 0.58 0.09 0.00 0.00 178.44 179.68 3iss h VAL 240 N 1.30 1.28 -0.72 1.22 2.07 -0.92 -2.22 116.25 118.27 3iss h VAL 240 Ca 0.39 -1.56 0.12 0.00 0.82 0.00 0.00 66.70 66.47 3iss h VAL 240 Cb -0.05 1.45 -0.09 0.00 -1.52 0.00 0.00 31.29 31.08 3iss h VAL 240 CO -0.11 0.51 0.30 0.00 0.02 0.00 0.00 177.57 178.29 3iss h ALA 241 N 0.92 1.00 -0.19 1.67 0.00 -0.50 -1.68 119.26 120.48 3iss h ALA 241 Ca 0.05 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3iss h ALA 241 Cb 0.94 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 3iss h ALA 241 CO 0.09 -0.17 -0.13 0.00 0.00 0.00 0.00 179.25 179.04 3iss h ALA 242 N 1.50 0.27 0.00 0.00 0.00 -1.22 -3.06 119.26 116.74 3iss h ALA 242 Ca 0.38 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iss h ALA 242 Cb 0.52 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iss h ALA 242 CO -0.35 0.14 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 3iss h ALA 243 N 0.67 1.57 0.00 0.00 0.00 -0.78 -1.10 119.26 119.62 3iss h ALA 243 Ca 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3iss h ALA 243 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3iss h ALA 243 CO 0.04 0.12 -1.23 0.44 0.00 0.00 0.00 179.25 178.62 3iss n ILE 244 N -4.03 0.52 -0.31 0.00 -5.35 -0.69 -3.86 119.36 105.64 3iss n ILE 244 Ca -0.02 -0.55 0.11 0.00 -0.27 0.00 0.00 62.75 62.02 3iss n ILE 244 Cb 0.19 -0.29 0.32 0.00 -1.74 0.00 0.00 39.64 38.12 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 -2.60 3.94 -3.39 7.28 3.41 -0.91 -4.93 113.62 116.41 3iss n SER 245 Ca -0.01 -2.07 -0.24 0.00 -0.26 0.00 0.00 58.87 56.29 3iss n SER 245 Cb 0.57 -0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.51 -5.76 0.00 4.33 1.74 -1.01 -4.48 116.66 112.99 3iss n ARG 246 Ca 0.24 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 58.10 3iss n ARG 246 Cb 0.64 -5.69 0.00 0.00 -1.02 0.00 0.00 32.46 26.39 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 -1.66 3.62 3.36 -0.13 0.00 -0.46 -4.12 105.19 105.79 3iss n GLY 247 Ca -0.04 -1.98 -0.14 0.00 0.00 0.00 0.00 46.02 43.86 3iss n GLY 247 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iss s LYS 248 N 2.64 0.65 -0.05 1.61 2.20 -1.22 -2.15 119.74 123.42 3iss s LYS 248 Ca 0.00 0.38 -0.22 0.00 -0.36 0.00 0.00 55.97 55.76 3iss s LYS 248 Cb 0.00 0.31 0.05 0.00 -1.51 0.00 0.00 37.83 36.68 3iss s LYS 248 CO 0.00 -0.13 0.50 -1.50 -0.36 0.00 0.00 175.35 173.85 3iss s ILE 249 N -0.37 0.03 -0.08 5.43 2.07 -0.47 -1.46 121.20 126.34 3iss s ILE 249 Ca -0.05 -0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.02 3iss s ILE 249 Cb -0.03 -0.80 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 3iss s ILE 249 CO 0.03 -0.12 -0.23 -0.63 -1.91 0.00 0.00 174.94 172.09 3iss s ILE 250 N -1.07 1.91 -0.21 2.00 -1.09 -0.61 -1.44 121.20 120.69 3iss s ILE 250 Ca -0.11 -0.95 -0.07 0.00 -2.23 0.00 0.00 60.65 57.29 3iss s ILE 250 Cb -0.03 -1.64 -0.03 0.00 -1.58 0.00 0.00 42.46 39.18 3iss s ILE 250 CO 0.06 0.53 0.05 0.00 -1.23 0.00 0.00 174.94 174.35 3iss s ARG 252 N 0.97 2.91 -0.93 0.00 1.81 0.44 -1.86 118.95 122.29 3iss s ARG 252 Ca 0.03 -0.69 -0.02 0.00 -1.72 0.00 0.00 55.73 53.34 3iss s ARG 252 Cb -0.14 -2.74 0.00 0.00 -0.45 0.00 0.00 34.95 31.62 3iss s ARG 252 CO 0.03 0.56 0.79 0.09 -0.68 0.00 0.00 175.30 176.08 3iss n ASN 253 N 0.39 -2.81 -4.81 0.23 4.13 -0.66 -0.53 115.26 111.22 3iss n ASN 253 Ca -0.08 -0.45 -0.22 0.00 1.68 0.00 0.00 54.58 55.50 3iss n ASN 253 Cb 0.52 -3.97 -0.05 0.00 -1.54 0.00 0.00 39.78 34.74 3iss n ASN 253 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iss s ALA 254 N -3.26 3.78 -0.42 5.41 0.00 -0.21 -4.41 121.76 122.64 3iss s ALA 254 Ca 0.11 -1.89 0.02 0.00 0.00 0.00 0.00 51.96 50.20 3iss s ALA 254 Cb -0.05 -0.82 0.15 0.00 0.00 0.00 0.00 23.12 22.40 3iss s ALA 254 CO 0.55 -0.11 0.27 -1.14 0.00 0.00 0.00 175.76 175.33 3iss s GLN 255 N -3.99 1.02 0.33 0.00 0.74 -1.26 -4.27 119.66 112.24 3iss s GLN 255 Ca 0.43 -1.89 0.08 0.00 0.05 0.00 0.00 55.36 54.03 3iss s GLN 255 Cb -0.02 -1.83 0.79 0.00 1.10 0.00 0.00 33.01 33.05 3iss s GLN 255 CO 0.25 -1.24 1.82 -1.35 -0.55 0.00 0.00 175.29 174.22 3iss h PRO 256 N 6.47 0.70 0.00 1.67 0.11 -1.87 -1.83 132.00 137.25 3iss h PRO 256 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3iss h PRO 256 Cb 0.92 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3iss h PRO 256 CO 0.40 0.46 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 3iss n ASP 257 N -4.65 0.00 0.02 -2.05 5.68 -1.26 -1.05 116.55 113.23 3iss n ASP 257 Ca 0.21 0.31 0.12 0.00 -0.50 0.00 0.00 54.79 54.94 3iss n ASP 257 Cb 0.55 -0.33 0.28 0.00 -1.14 0.00 0.00 41.12 40.48 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 -1.33 0.10 -1.72 2.12 -1.04 -0.69 -4.34 114.28 107.37 3iss n THR 258 Ca 0.01 -0.07 0.05 0.00 -2.04 0.00 0.00 64.05 61.99 3iss n THR 258 Cb 0.01 0.04 0.08 0.00 -1.82 0.00 0.00 70.33 68.64 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 -1.66 1.26 -0.18 -4.42 4.77 -0.21 -4.89 117.00 111.67 3iss n LEU 259 Ca 0.05 -2.20 -0.11 0.00 -0.03 0.00 0.00 56.01 53.72 3iss n LEU 259 Cb 0.36 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.18 3iss n LEU 259 CO 0.34 0.59 0.53 0.44 -1.33 0.00 0.00 177.39 177.96 3iss h ASP 260 N 0.28 -1.69 -0.65 -1.43 3.32 -1.76 -0.53 116.42 113.96 3iss h ASP 260 Ca -0.04 0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.27 3iss h ASP 260 Cb 1.30 0.73 -0.03 0.00 0.22 0.00 0.00 39.33 41.54 3iss h ASP 260 CO 0.02 -0.37 0.42 0.00 -1.72 0.00 0.00 179.24 177.59 3iss h ALA 261 N 0.29 0.83 -0.37 3.45 0.00 -1.89 -1.52 119.26 120.05 3iss h ALA 261 Ca 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3iss h ALA 261 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3iss h ALA 261 CO -0.65 0.23 0.13 0.28 0.00 0.00 0.00 179.25 179.25 3iss h VAL 262 N 0.86 1.20 -0.60 0.00 2.07 -1.77 -2.15 116.25 115.86 3iss h VAL 262 Ca 0.24 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 3iss h VAL 262 Cb -0.07 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 3iss h VAL 262 CO -0.06 0.22 0.30 -0.07 0.02 0.00 0.00 177.57 177.97 3iss h LEU 263 N 0.45 0.78 -0.95 2.57 3.38 -0.74 -1.64 115.31 119.15 3iss h LEU 263 Ca 0.12 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3iss h LEU 263 Cb 0.21 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 3iss h LEU 263 CO -0.01 0.68 0.62 0.00 0.09 0.00 0.00 178.44 179.83 3iss h ALA 264 N 1.13 1.23 -0.22 1.53 0.00 -1.19 -1.16 119.26 120.58 3iss h ALA 264 Ca 0.21 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 3iss h ALA 264 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3iss h ALA 264 CO -0.03 0.55 -0.40 -0.22 0.00 0.00 0.00 179.25 179.16 3iss h LYS 265 N 1.25 0.51 -0.50 0.00 1.63 -0.96 -2.12 116.57 116.37 3iss h LYS 265 Ca 0.36 -0.25 -0.08 0.00 -0.85 0.00 0.00 60.65 59.83 3iss h LYS 265 Cb -0.08 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.53 3iss h LYS 265 CO -0.10 0.82 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.66 3iss h LEU 266 N 0.42 0.87 -0.64 5.20 3.38 -0.65 -1.96 115.31 121.93 3iss h LEU 266 Ca 0.04 -0.31 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3iss h LEU 266 Cb 0.88 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3iss h LEU 266 CO 0.08 0.96 0.39 0.03 0.09 0.00 0.00 178.44 179.99 3iss h ARG 267 N 0.75 0.75 0.00 1.13 3.08 -0.99 -0.85 114.38 118.25 3iss h ARG 267 Ca 0.14 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3iss h ARG 267 Cb 0.52 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3iss h ARG 267 CO 0.03 0.49 -0.03 -0.44 -1.07 0.00 0.00 179.97 178.95 3iss h ASP 268 N 0.77 0.00 0.78 7.04 3.32 -1.05 0.15 116.42 127.43 3iss h ASP 268 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3iss h ASP 268 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3iss h ASP 268 CO -0.11 0.03 -0.03 0.00 -1.72 0.00 0.00 179.24 177.41 3iss n ALA 269 N -2.45 2.47 0.00 3.45 0.00 -0.40 -4.72 120.51 118.85 3iss n ALA 269 Ca -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3iss n ALA 269 Cb 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.11 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 1.41 1.28 3.85 0.00 0.00 0.53 0.31 105.19 112.56 3iss n GLY 270 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 3.23 -0.39 4.61 0.00 -0.73 -4.88 121.76 121.61 3iss s ALA 271 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 3iss s ALA 271 Cb 0.00 -2.88 0.03 0.00 0.00 0.00 0.00 23.12 20.26 3iss s ALA 271 CO 0.00 0.11 0.23 0.34 0.00 0.00 0.00 175.76 176.44 3iss s ASP 272 N -2.62 5.84 -0.08 0.00 2.15 -0.28 -4.42 116.67 117.27 3iss s ASP 272 Ca 0.56 -0.98 0.05 0.00 0.43 0.00 0.00 52.55 52.60 3iss s ASP 272 Cb -0.10 -2.06 -0.00 0.00 -0.30 0.00 0.00 42.92 40.46 3iss s ASP 272 CO 0.22 -0.41 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.96 3iss s ILE 273 N 1.58 1.96 0.09 4.11 1.01 -1.26 -0.84 121.20 127.86 3iss s ILE 273 Ca 0.03 -0.98 0.07 0.00 0.00 0.00 0.00 60.65 59.77 3iss s ILE 273 Cb -0.19 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3iss s ILE 273 CO 0.08 0.54 -0.19 -1.61 0.00 0.00 0.00 174.94 173.76 3iss s GLU 274 N 0.15 1.03 0.01 2.79 2.02 -0.67 -4.99 118.70 119.04 3iss s GLU 274 Ca -0.12 -1.11 0.06 0.00 0.02 0.00 0.00 54.97 53.82 3iss s GLU 274 Cb -0.16 -1.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.85 3iss s GLU 274 CO 0.06 0.28 -0.18 0.14 0.02 0.00 0.00 175.26 175.58 3iss s VAL 275 N -1.24 1.39 0.00 2.63 -7.23 -1.26 -0.17 120.40 114.52 3iss s VAL 275 Ca 0.04 -0.88 0.00 0.00 -1.81 0.00 0.00 61.98 59.33 3iss s VAL 275 Cb -0.10 -1.18 0.00 0.00 0.56 0.00 0.00 36.38 35.66 3iss s VAL 275 CO 0.04 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 3iss n GLY 276 N 2.36 3.15 0.15 2.32 0.00 -0.09 -5.00 105.19 108.08 3iss n GLY 276 Ca -0.16 -1.99 0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.14 0.00 -0.13 0.00 0.00 59.36 59.09 3iss h GLU 277 Cb 0.00 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.12 3iss h GLU 277 CO 0.00 0.20 -0.73 -0.40 -0.73 0.00 0.00 179.01 177.35 3iss n ASP 278 N -2.99 0.32 -3.82 1.04 5.75 -1.26 -4.70 116.55 110.89 3iss n ASP 278 Ca -0.00 -1.95 -0.11 0.00 -0.01 0.00 0.00 54.79 52.72 3iss n ASP 278 Cb 0.65 -0.12 -0.08 0.00 -1.03 0.00 0.00 41.12 40.54 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 -0.01 -0.02 2.11 1.48 -1.26 -1.04 118.94 120.20 3iss s TRP 279 Ca 0.20 -0.15 0.03 0.00 -1.06 0.00 0.00 56.10 55.12 3iss s TRP 279 Cb 0.23 0.01 -0.00 0.00 -1.16 0.00 0.00 33.47 32.54 3iss s TRP 279 CO -0.10 -0.43 -0.12 0.42 -4.06 0.00 0.00 176.95 172.66 3iss s ILE 280 N -2.35 0.95 0.09 0.66 1.01 -0.78 -0.91 121.20 119.87 3iss s ILE 280 Ca -0.07 -0.48 0.09 0.00 0.00 0.00 0.00 60.65 60.19 3iss s ILE 280 Cb -0.02 -0.81 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 3iss s ILE 280 CO -0.03 0.28 -0.23 -0.94 0.00 0.00 0.00 174.94 174.03 3iss s SER 281 N -0.07 3.54 -0.04 3.58 1.04 0.75 -0.41 113.70 122.09 3iss s SER 281 Ca 0.01 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.82 3iss s SER 281 Cb -0.07 -0.40 0.03 0.00 0.10 0.00 0.00 66.02 65.69 3iss s SER 281 CO 0.00 0.21 0.09 -0.22 0.98 0.00 0.00 173.24 174.30 3iss s LEU 282 N -1.80 0.89 -0.07 2.42 0.20 -0.52 -1.67 118.68 118.13 3iss s LEU 282 Ca 0.15 0.18 0.01 0.00 0.69 0.00 0.00 54.13 55.15 3iss s LEU 282 Cb -0.10 0.16 0.02 0.00 -0.43 0.00 0.00 46.19 45.83 3iss s LEU 282 CO 0.06 -0.14 -0.07 -0.62 -0.29 0.00 0.00 176.35 175.29 3iss s ASP 283 N 1.12 1.52 0.04 3.68 -1.08 -0.02 -1.37 116.67 120.56 3iss s ASP 283 Ca -0.09 -0.22 0.25 0.00 -0.52 0.00 0.00 52.55 51.97 3iss s ASP 283 Cb -0.12 -0.65 0.45 0.00 -1.46 0.00 0.00 42.92 41.13 3iss s ASP 283 CO -0.05 -0.05 1.38 0.23 0.52 0.00 0.00 175.17 177.20 3iss n MET 284 N 4.22 0.11 -3.90 4.34 2.81 -0.92 -1.12 117.12 122.66 3iss n MET 284 Ca -0.20 0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.45 3iss n MET 284 Cb 0.51 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.46 3iss n MET 284 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3iss n HIS 285 N -1.72 -1.88 -0.75 2.03 8.25 -1.26 -1.10 115.22 118.79 3iss n HIS 285 Ca 0.05 0.82 0.00 0.00 -0.26 0.00 0.00 57.72 58.32 3iss n HIS 285 Cb 0.37 -3.90 0.00 0.00 1.12 0.00 0.00 29.99 27.59 3iss n HIS 285 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3iss n GLY 286 N -1.73 0.37 3.83 -1.41 0.00 -1.26 -4.97 105.19 100.02 3iss n GLY 286 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.70 4.14 0.15 1.61 -0.14 -0.26 -4.95 119.74 119.59 3iss s LYS 287 Ca 0.00 0.97 -0.25 0.00 -1.36 0.00 0.00 55.97 55.32 3iss s LYS 287 Cb 0.00 -2.25 -0.08 0.00 -1.68 0.00 0.00 37.83 33.82 3iss s LYS 287 CO 0.00 0.01 0.78 0.50 -0.76 0.00 0.00 175.35 175.88 3iss s ARG 288 N -3.19 4.56 0.65 1.68 3.52 -1.26 -4.49 118.95 120.43 3iss s ARG 288 Ca 0.59 1.15 -0.17 0.00 -0.13 0.00 0.00 55.73 57.18 3iss s ARG 288 Cb -0.09 -3.27 -0.00 0.00 -1.56 0.00 0.00 34.95 30.02 3iss s ARG 288 CO 0.16 0.54 1.18 -1.25 -0.81 0.00 0.00 175.30 175.12 3iss s PRO 289 N -1.04 2.66 -0.04 5.12 0.04 -1.26 -4.82 135.00 135.66 3iss s PRO 289 Ca 0.36 1.70 -0.10 0.00 0.04 0.00 0.00 61.00 62.99 3iss s PRO 289 Cb -0.23 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3iss s PRO 289 CO 0.26 -1.42 0.29 0.15 0.04 0.00 0.00 177.00 176.31 3iss s LYS 290 N -3.70 3.67 0.38 4.56 -0.14 0.15 -0.96 119.74 123.70 3iss s LYS 290 Ca 0.74 0.11 -0.26 0.00 -1.36 0.00 0.00 55.97 55.20 3iss s LYS 290 Cb -0.27 -3.17 -0.11 0.00 -1.68 0.00 0.00 37.83 32.59 3iss s LYS 290 CO 0.39 0.71 1.20 0.00 -0.76 0.00 0.00 175.35 176.89 3iss n ALA 291 N 1.70 0.93 -2.44 5.17 0.00 -0.70 -4.34 120.51 120.83 3iss n ALA 291 Ca -0.15 0.30 -0.21 0.00 0.00 0.00 0.00 53.44 53.37 3iss n ALA 291 Cb 0.53 -2.20 -0.10 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.17 1.48 -0.11 0.00 -7.23 -1.26 -4.86 120.40 107.26 3iss s VAL 292 Ca 0.59 -2.07 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 3iss s VAL 292 Cb -0.55 -2.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.79 3iss s VAL 292 CO 0.59 -0.19 -0.14 0.20 -0.31 0.00 0.00 175.10 175.25 3iss s ASN 293 N -3.46 3.92 0.01 4.85 0.02 -1.26 -3.23 114.94 115.78 3iss s ASN 293 Ca 0.32 -0.33 0.03 0.00 -1.02 0.00 0.00 52.86 51.86 3iss s ASN 293 Cb 0.06 -1.45 -0.01 0.00 0.02 0.00 0.00 41.25 39.87 3iss s ASN 293 CO 0.13 0.20 -0.09 -0.69 0.02 0.00 0.00 177.10 176.67 3iss s VAL 294 N 0.15 0.71 -0.18 1.60 1.01 -0.51 -4.99 120.40 118.20 3iss s VAL 294 Ca -0.08 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3iss s VAL 294 Cb -0.15 -0.64 0.03 0.00 0.00 0.00 0.00 36.38 35.63 3iss s VAL 294 CO 0.05 0.05 -0.12 -0.60 0.00 0.00 0.00 175.10 174.48 3iss s ARG 295 N -0.61 2.14 0.40 2.72 3.52 -1.26 0.20 118.95 126.06 3iss s ARG 295 Ca 0.01 -0.71 -0.24 0.00 -0.13 0.00 0.00 55.73 54.66 3iss s ARG 295 Cb -0.05 -2.27 -0.09 0.00 -1.56 0.00 0.00 34.95 30.98 3iss s ARG 295 CO 0.00 -0.34 1.05 0.95 -0.81 0.00 0.00 175.30 176.15 3iss s THR 296 N 1.44 3.75 0.15 4.11 -4.23 -0.40 -4.29 115.64 116.16 3iss s THR 296 Ca 0.02 1.33 -0.25 0.00 -1.18 0.00 0.00 61.69 61.61 3iss s THR 296 Cb -0.15 -3.69 0.07 0.00 1.34 0.00 0.00 72.50 70.07 3iss s THR 296 CO -0.09 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 174.97 3iss s ALA 297 N -1.67 -1.68 0.76 3.99 0.00 -0.29 -3.68 121.76 119.19 3iss s ALA 297 Ca 0.58 0.14 -0.15 0.00 0.00 0.00 0.00 51.96 52.53 3iss s ALA 297 Cb -0.22 0.63 0.05 0.00 0.00 0.00 0.00 23.12 23.58 3iss s ALA 297 CO 0.27 -1.05 1.18 -2.30 0.00 0.00 0.00 175.76 173.86 3iss n PRO 298 N -0.48 0.43 -1.57 0.00 -0.02 -1.26 -4.35 135.00 127.75 3iss n PRO 298 Ca -0.06 0.21 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 3iss n PRO 298 Cb 0.61 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 3iss n PRO 298 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3iss n HIS 299 N -2.89 0.71 -0.10 6.00 -0.00 -1.26 -1.90 115.22 115.78 3iss n HIS 299 Ca 0.14 0.57 0.02 0.00 0.46 0.00 0.00 57.72 58.91 3iss n HIS 299 Cb 0.50 -2.16 0.22 0.00 -0.12 0.00 0.00 29.99 28.43 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 0.20 3.10 -1.03 1.57 -0.04 -1.26 -4.54 135.00 133.01 3iss n PRO 300 Ca 0.10 -1.80 -0.30 0.00 -0.04 0.00 0.00 63.50 61.46 3iss n PRO 300 Cb 0.39 -1.92 0.25 0.00 -0.04 0.00 0.00 33.50 32.19 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 -2.00 0.50 0.09 0.55 0.00 -0.80 -4.35 121.76 115.74 3iss s ALA 301 Ca 0.31 -1.01 -0.31 0.00 0.00 0.00 0.00 51.96 50.96 3iss s ALA 301 Cb 0.24 -2.86 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 3iss s ALA 301 CO 0.09 -3.73 1.59 0.12 0.00 0.00 0.00 175.76 173.83 3iss s PHE 302 N -2.97 2.67 0.13 0.00 2.19 -1.26 -4.79 117.98 113.96 3iss s PHE 302 Ca 0.71 0.49 -0.28 0.00 0.33 0.00 0.00 56.93 58.18 3iss s PHE 302 Cb -0.09 -3.90 -0.07 0.00 -1.31 0.00 0.00 43.02 37.65 3iss s PHE 302 CO 0.56 -3.50 0.90 -1.25 1.83 0.00 0.00 175.22 173.75 3iss s PRO 303 N 2.17 4.68 0.47 10.12 0.05 -1.26 -1.14 135.00 150.09 3iss s PRO 303 Ca 0.71 1.35 0.16 0.00 0.05 0.00 0.00 61.00 63.27 3iss s PRO 303 Cb -0.39 -3.34 1.14 0.00 0.05 0.00 0.00 34.50 31.96 3iss s PRO 303 CO 0.31 0.34 2.02 0.00 0.05 0.00 0.00 177.00 179.73 3iss h THR 304 N 3.76 0.90 0.00 1.26 1.03 -1.93 -0.76 112.91 117.16 3iss h THR 304 Ca -0.44 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.87 3iss h THR 304 Cb 1.21 0.62 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 3iss h THR 304 CO 0.70 0.05 0.00 0.47 -0.01 0.00 0.00 175.52 176.73 3iss n ASP 305 N -4.46 0.14 -0.57 0.00 8.00 -1.26 -1.40 116.55 117.01 3iss n ASP 305 Ca 0.07 0.55 0.08 0.00 0.71 0.00 0.00 54.79 56.19 3iss n ASP 305 Cb 0.35 -0.58 0.05 0.00 -0.02 0.00 0.00 41.12 40.92 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 -1.68 1.24 -0.08 -1.24 2.81 -0.30 -4.74 117.12 113.14 3iss n MET 306 Ca 0.01 -1.31 -0.10 0.00 -1.81 0.00 0.00 57.70 54.50 3iss n MET 306 Cb 0.09 -1.28 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 3iss n MET 306 CO 0.00 0.00 0.00 0.37 1.51 0.00 0.00 175.97 177.85 3iss h GLN 307 N 2.78 0.38 -0.35 0.03 -0.00 -1.23 -2.43 115.11 114.29 3iss h GLN 307 Ca 0.00 -0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 58.49 3iss h GLN 307 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 3iss h GLN 307 CO 0.00 0.36 -0.22 0.00 0.00 0.00 0.00 178.83 178.97 3iss h ALA 308 N 1.00 0.94 -0.43 3.38 0.00 -1.85 -0.73 119.26 121.56 3iss h ALA 308 Ca 0.09 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3iss h ALA 308 Cb 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3iss h ALA 308 CO -0.01 0.61 0.27 1.96 0.00 0.00 0.00 179.25 182.08 3iss h GLN 309 N 0.61 0.54 0.00 0.00 7.50 -1.81 -1.85 115.11 120.10 3iss h GLN 309 Ca 0.09 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.15 3iss h GLN 309 Cb 0.71 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.11 3iss h GLN 309 CO 0.05 0.36 -0.24 0.74 -1.50 0.00 0.00 178.83 178.24 3iss h PHE 310 N 0.55 0.00 -0.37 2.96 -1.00 -1.12 -1.98 116.94 115.99 3iss h PHE 310 Ca 0.17 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.93 3iss h PHE 310 Cb -0.03 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 3iss h PHE 310 CO -0.06 0.24 0.18 1.15 -1.61 0.00 0.00 178.31 178.21 3iss h THR 311 N 0.00 1.16 -0.20 -1.55 2.02 -0.77 -1.72 112.91 111.85 3iss h THR 311 Ca -0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3iss h THR 311 Cb 0.88 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 3iss h THR 311 CO 0.03 0.17 0.13 0.25 0.37 0.00 0.00 175.52 176.47 3iss h LEU 312 N 0.45 0.24 -0.29 2.58 5.85 -0.80 -1.53 115.31 121.82 3iss h LEU 312 Ca 0.13 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3iss h LEU 312 Cb 0.11 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 3iss h LEU 312 CO -0.02 0.20 -0.43 0.25 -0.34 0.00 0.00 178.44 178.11 3iss h LEU 313 N 0.26 -1.38 -1.93 2.25 6.46 -1.28 0.21 115.31 119.90 3iss h LEU 313 Ca 0.07 0.20 0.08 0.00 -0.12 0.00 0.00 57.88 58.11 3iss h LEU 313 Cb -0.00 0.59 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 3iss h LEU 313 CO -0.01 -0.39 0.24 0.78 -0.62 0.00 0.00 178.44 178.43 3iss h ASN 314 N -0.40 0.07 1.24 1.25 2.35 -1.01 -1.96 115.58 117.12 3iss h ASN 314 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3iss h ASN 314 Cb 0.60 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.96 3iss h ASN 314 CO -0.50 0.04 0.00 -0.07 -1.65 0.00 0.00 177.43 175.26 3iss h LEU 315 N 0.08 0.00 -3.03 1.61 3.38 0.09 -2.70 115.31 114.74 3iss h LEU 315 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3iss h LEU 315 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3iss h LEU 315 CO -0.01 0.00 0.00 1.33 0.09 0.00 0.00 178.44 179.85 3iss n VAL 316 N -2.45 1.67 -2.91 1.22 0.24 -0.78 -1.06 118.33 114.26 3iss n VAL 316 Ca 0.04 -1.82 -0.20 0.00 -2.04 0.00 0.00 64.34 60.32 3iss n VAL 316 Cb 0.36 -0.01 0.06 0.00 -1.47 0.00 0.00 33.84 32.78 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 -2.28 4.41 -0.34 2.33 0.00 -0.92 -4.69 121.76 120.27 3iss s ALA 317 Ca 0.25 -1.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.07 3iss s ALA 317 Cb 0.21 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3iss s ALA 317 CO 0.04 -0.88 0.69 -2.00 0.00 0.00 0.00 175.76 173.61 3iss s GLU 318 N -4.72 3.80 0.00 0.00 2.12 -0.14 -4.05 118.70 115.71 3iss s GLU 318 Ca 0.61 0.26 0.00 0.00 0.36 0.00 0.00 54.97 56.21 3iss s GLU 318 Cb -0.07 -3.78 0.00 0.00 0.26 0.00 0.00 34.13 30.55 3iss s GLU 318 CO 0.39 -0.71 0.00 0.41 -0.54 0.00 0.00 175.26 174.81 3iss n GLY 319 N 4.50 -1.25 3.41 -1.50 0.00 -1.26 -1.72 105.19 107.37 3iss n GLY 319 Ca 0.01 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.59 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 3.20 0.03 2.61 2.01 -1.26 -1.51 115.64 120.71 3iss s THR 320 Ca 0.00 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.40 3iss s THR 320 Cb 0.00 -2.34 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 3iss s THR 320 CO 0.00 0.53 -0.06 -0.83 -0.69 0.00 0.00 174.62 173.57 3iss s GLY 321 N 0.13 0.41 0.20 4.40 0.00 -0.85 -4.74 107.32 106.86 3iss s GLY 321 Ca -0.06 -0.59 0.10 0.00 0.00 0.00 0.00 44.72 44.17 3iss s GLY 321 CO 0.04 -0.62 -0.14 -0.11 0.00 0.00 0.00 173.10 172.27 3iss s PHE 322 N -1.04 2.52 -0.10 1.90 -0.71 -1.20 -0.88 117.98 118.48 3iss s PHE 322 Ca -0.07 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 55.55 3iss s PHE 322 Cb -0.08 -1.22 0.02 0.00 -1.21 0.00 0.00 43.02 40.54 3iss s PHE 322 CO 0.00 0.53 -0.09 0.42 -1.34 0.00 0.00 175.22 174.75 3iss s ILE 323 N -1.80 1.06 -0.15 -4.49 1.01 -0.60 -1.42 121.20 114.81 3iss s ILE 323 Ca 0.25 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.54 3iss s ILE 323 Cb -0.08 -1.05 -0.02 0.00 0.01 0.00 0.00 42.46 41.32 3iss s ILE 323 CO 0.14 0.37 -0.08 -0.89 0.00 0.00 0.00 174.94 174.47 3iss s THR 324 N 1.45 3.43 -0.23 2.92 2.01 0.13 -1.09 115.64 124.26 3iss s THR 324 Ca 0.00 -0.52 -0.08 0.00 0.31 0.00 0.00 61.69 61.40 3iss s THR 324 Cb -0.13 -2.48 -0.04 0.00 0.01 0.00 0.00 72.50 69.86 3iss s THR 324 CO -0.06 0.50 0.10 -0.70 -0.69 0.00 0.00 174.62 173.78 3iss s GLU 325 N 0.50 3.86 0.00 4.92 2.56 -0.55 -1.28 118.70 128.71 3iss s GLU 325 Ca -0.06 -0.38 0.05 0.00 0.00 0.00 0.00 54.97 54.58 3iss s GLU 325 Cb -0.15 -3.38 -0.00 0.00 2.00 0.00 0.00 34.13 32.60 3iss s GLU 325 CO 0.03 -0.01 0.43 2.41 -0.56 0.00 0.00 175.26 177.56 3iss n THR 326 N 4.44 0.00 -0.06 -1.70 -1.04 -1.24 -4.61 114.28 110.08 3iss n THR 326 Ca -0.16 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.05 61.29 3iss n THR 326 Cb 0.52 1.05 -0.04 0.00 -1.82 0.00 0.00 70.33 70.04 3iss n THR 326 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3iss n VAL 327 N -0.39 0.64 -3.89 12.58 0.31 -1.26 -4.87 118.33 121.44 3iss n VAL 327 Ca 0.02 -0.17 -0.30 0.00 -0.01 0.00 0.00 64.34 63.87 3iss n VAL 327 Cb 0.10 -1.53 -0.15 0.00 -0.91 0.00 0.00 33.84 31.35 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 -2.21 2.85 -0.85 3.52 0.08 -1.26 -4.99 117.98 115.12 3iss s PHE 328 Ca -0.16 -2.55 0.21 0.00 0.12 0.00 0.00 56.93 54.55 3iss s PHE 328 Cb 0.06 -2.41 0.86 0.00 -0.57 0.00 0.00 43.02 40.95 3iss s PHE 328 CO 0.21 -0.89 1.66 0.39 -0.10 0.00 0.00 175.22 176.49 3iss n GLU 329 N 4.26 0.07 -0.64 0.44 1.02 -1.26 -2.69 120.64 121.85 3iss n GLU 329 Ca 0.03 0.23 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 3iss n GLU 329 Cb 0.40 -1.62 0.24 0.00 -0.02 0.00 0.00 31.44 30.44 3iss n GLU 329 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3iss n ASN 330 N -1.76 3.49 -3.92 1.62 3.02 -1.22 -4.66 115.26 111.83 3iss n ASN 330 Ca 0.04 -3.31 -0.43 0.00 -0.03 0.00 0.00 54.58 50.86 3iss n ASN 330 Cb 0.25 -0.60 0.01 0.00 -0.61 0.00 0.00 39.78 38.82 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 -0.71 3.92 -0.22 3.52 0.63 -1.09 -4.51 116.66 118.20 3iss n ARG 331 Ca 0.28 -3.89 0.01 0.00 -0.92 0.00 0.00 57.85 53.33 3iss n ARG 331 Cb 1.01 -2.78 0.01 0.00 0.45 0.00 0.00 32.46 31.15 3iss n ARG 331 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3iss n PHE 332 N 2.99 0.00 0.29 -0.14 3.72 -1.26 -4.86 117.46 118.20 3iss n PHE 332 Ca 0.35 -0.09 0.14 0.00 -0.05 0.00 0.00 57.45 57.79 3iss n PHE 332 Cb 0.35 -0.03 0.86 0.00 -0.94 0.00 0.00 39.48 39.72 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 -0.18 -1.08 2.86 -1.97 -1.11 114.93 113.45 3iss h MET 333 Ca 0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3iss h MET 333 Cb 1.14 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.79 3iss h MET 333 CO 0.00 0.02 0.09 1.12 1.06 0.00 0.00 176.91 179.20 3iss h HIS 334 N 0.00 0.23 0.31 -0.22 -0.00 -1.94 -3.26 115.15 110.27 3iss h HIS 334 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3iss h HIS 334 Cb 0.05 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 3iss h HIS 334 CO 0.00 0.17 -0.25 0.28 -0.00 0.00 0.00 177.93 178.13 3iss h VAL 335 N 0.24 0.47 -0.62 6.12 2.07 -1.59 -0.70 116.25 122.24 3iss h VAL 335 Ca 0.06 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.58 3iss h VAL 335 Cb 0.02 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 3iss h VAL 335 CO -0.01 0.00 0.37 -0.65 0.02 0.00 0.00 177.57 177.30 3iss h PRO 336 N -0.57 0.84 -0.22 1.57 0.11 -1.72 -0.62 132.00 131.40 3iss h PRO 336 Ca -0.02 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.01 3iss h PRO 336 Cb 0.50 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 3iss h PRO 336 CO -0.02 0.59 0.12 0.93 -0.21 0.00 0.00 178.00 179.42 3iss h GLU 337 N 0.86 0.31 0.00 1.05 4.39 -1.55 -1.58 114.58 118.05 3iss h GLU 337 Ca 0.22 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3iss h GLU 337 Cb -0.03 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.56 3iss h GLU 337 CO -0.04 0.28 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.99 3iss h LEU 338 N 0.25 0.00 -1.27 1.33 3.38 -0.61 -0.65 115.31 117.74 3iss h LEU 338 Ca 0.08 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3iss h LEU 338 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3iss h LEU 338 CO -0.01 0.03 -0.36 0.28 0.09 0.00 0.00 178.44 178.47 3iss h SER 339 N 0.00 0.00 0.52 -0.43 0.02 -0.16 -1.49 113.55 112.02 3iss h SER 339 Ca -0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3iss h SER 339 Cb 0.07 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.61 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 -0.55 3.45 3.08 -0.55 -2.34 114.38 117.47 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 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3iss h ARG 340 CO 0.05 0.10 0.00 -1.33 -1.07 0.00 0.00 179.97 177.72 3iss n MET 341 N -3.44 2.30 -0.27 0.04 2.81 -0.61 -4.83 117.12 113.11 3iss n MET 341 Ca -0.01 -2.02 0.00 0.00 -1.81 0.00 0.00 57.70 53.86 3iss n MET 341 Cb 0.26 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.39 0.76 3.78 3.03 0.00 -0.88 -1.41 105.19 111.86 3iss n GLY 342 Ca 0.19 0.00 -0.34 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 -2.25 2.62 -0.32 4.61 0.00 -0.88 -4.97 121.76 120.57 3iss s ALA 343 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 3iss s ALA 343 Cb 0.00 -3.31 0.07 0.00 0.00 0.00 0.00 23.12 19.88 3iss s ALA 343 CO 0.00 -0.95 0.04 -1.01 0.00 0.00 0.00 175.76 173.84 3iss s HIS 344 N -2.14 3.40 0.01 0.00 0.09 -1.26 -4.53 115.29 110.86 3iss s HIS 344 Ca 0.68 -2.17 -0.07 0.00 -0.00 0.00 0.00 55.06 53.50 3iss s HIS 344 Cb -0.21 -2.44 -0.00 0.00 -0.00 0.00 0.00 32.58 29.94 3iss s HIS 344 CO 0.34 -0.87 0.14 0.00 -0.00 0.00 0.00 174.74 174.35 3iss s ALA 345 N 1.17 -0.29 0.07 -1.40 0.00 -1.26 -1.55 121.76 118.50 3iss s ALA 345 Ca -0.01 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.80 3iss s ALA 345 Cb -0.20 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 3iss s ALA 345 CO -0.03 -0.25 -0.19 -1.83 0.00 0.00 0.00 175.76 173.46 3iss s GLU 346 N -1.76 1.12 -0.26 0.00 1.03 -0.63 -4.98 118.70 113.22 3iss s GLU 346 Ca -0.12 -1.01 -0.07 0.00 0.03 0.00 0.00 54.97 53.80 3iss s GLU 346 Cb -0.06 -1.28 -0.02 0.00 -0.80 0.00 0.00 34.13 31.98 3iss s GLU 346 CO -0.00 0.31 0.07 0.42 -1.33 0.00 0.00 175.26 174.72 3iss s ILE 347 N -1.03 4.17 -0.33 1.83 1.01 -1.26 0.37 121.20 125.95 3iss s ILE 347 Ca 0.05 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.34 3iss s ILE 347 Cb -0.09 -3.00 0.06 0.00 0.01 0.00 0.00 42.46 39.44 3iss s ILE 347 CO 0.03 0.28 0.07 -1.61 0.00 0.00 0.00 174.94 173.70 3iss s GLU 348 N 1.58 2.36 6.89 2.79 0.41 0.11 -4.98 118.70 127.87 3iss s GLU 348 Ca 0.05 -1.38 0.00 0.00 -0.41 0.00 0.00 54.97 53.24 3iss s GLU 348 Cb -0.16 -3.33 0.00 0.00 -1.78 0.00 0.00 34.13 28.87 3iss s GLU 348 CO 0.03 -0.73 0.00 0.45 -0.49 0.00 0.00 175.26 174.51 3iss n SER 349 N 4.65 0.00 -1.65 -0.19 2.88 -1.26 -1.37 113.62 116.69 3iss n SER 349 Ca -0.10 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 3iss n SER 349 Cb 0.43 0.00 0.22 0.00 -0.75 0.00 0.00 64.21 64.11 3iss n SER 349 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3iss n ASN 350 N 8.08 3.48 -4.11 -3.46 2.04 -1.26 -4.91 115.26 115.11 3iss n ASN 350 Ca 0.00 -3.55 -0.27 0.00 -0.44 0.00 0.00 54.58 50.33 3iss n ASN 350 Cb 0.00 -0.72 -0.16 0.00 -2.53 0.00 0.00 39.78 36.37 3iss n ASN 350 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3iss s THR 351 N -3.18 1.46 -0.21 5.53 2.01 -0.47 -1.48 115.64 119.30 3iss s THR 351 Ca 0.50 -0.69 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 3iss s THR 351 Cb 0.43 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 3iss s THR 351 CO 0.07 0.42 0.24 0.54 -0.69 0.00 0.00 174.62 175.20 3iss s VAL 352 N 0.35 5.32 -0.32 3.82 0.11 -0.25 -0.71 120.40 128.71 3iss s VAL 352 Ca -0.11 0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 59.18 3iss s VAL 352 Cb -0.15 -3.57 -0.02 0.00 -1.53 0.00 0.00 36.38 31.10 3iss s VAL 352 CO 0.04 0.34 0.26 -0.63 -3.33 0.00 0.00 175.10 171.78 3iss s ILE 353 N 0.95 5.27 -0.12 7.04 1.01 0.16 -1.55 121.20 133.95 3iss s ILE 353 Ca 0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 60.65 60.68 3iss s ILE 353 Cb -0.13 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 3iss s ILE 353 CO 0.04 0.04 0.02 0.00 0.00 0.00 0.00 174.94 175.05 3iss s HIS 355 N -0.43 3.46 0.21 0.00 3.76 -0.60 -2.01 115.29 119.68 3iss s HIS 355 Ca 0.09 -2.70 -0.32 0.00 -0.15 0.00 0.00 55.06 51.98 3iss s HIS 355 Cb -0.12 -2.52 -0.13 0.00 1.11 0.00 0.00 32.58 30.92 3iss s HIS 355 CO 0.02 -0.92 1.62 0.41 -0.85 0.00 0.00 174.74 175.02 3iss n GLY 356 N 4.35 1.28 3.83 -2.22 0.00 -0.57 -4.26 105.19 107.61 3iss n GLY 356 Ca -0.02 0.59 -0.21 0.00 0.00 0.00 0.00 46.02 46.37 3iss n GLY 356 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iss s VAL 357 N 0.72 3.68 -0.04 1.61 -7.23 -0.23 -4.68 120.40 114.23 3iss s VAL 357 Ca 0.73 -1.42 -0.24 0.00 -1.81 0.00 0.00 61.98 59.24 3iss s VAL 357 Cb -0.57 -3.21 -0.21 0.00 0.56 0.00 0.00 36.38 32.95 3iss s VAL 357 CO 0.39 -0.22 1.11 -0.08 -0.31 0.00 0.00 175.10 176.00 3iss h GLU 358 N 1.34 0.15 -3.54 4.82 4.22 -1.87 -3.38 114.58 116.33 3iss h GLU 358 Ca -0.45 -0.13 -0.13 0.00 0.08 0.00 0.00 59.36 58.72 3iss h GLU 358 Cb 1.25 0.03 -0.19 0.00 0.50 0.00 0.00 28.75 30.34 3iss h GLU 358 CO 0.59 0.81 -0.46 -1.59 -2.18 0.00 0.00 179.01 176.17 3iss s LYS 359 N -3.49 0.56 0.42 1.92 -2.85 -1.26 -5.02 119.74 110.01 3iss s LYS 359 Ca -0.16 -0.49 0.07 0.00 -1.00 0.00 0.00 55.97 54.39 3iss s LYS 359 Cb 0.01 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.97 3iss s LYS 359 CO 0.73 -0.14 0.20 -0.51 0.10 0.00 0.00 175.35 175.73 3iss s LEU 360 N -1.65 3.09 0.07 2.77 1.43 -1.26 -4.98 118.68 118.16 3iss s LEU 360 Ca -0.11 -1.08 0.06 0.00 -1.03 0.00 0.00 54.13 51.97 3iss s LEU 360 Cb -0.05 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.69 3iss s LEU 360 CO -0.00 -0.59 -0.17 -0.55 0.23 0.00 0.00 176.35 175.27 3iss s SER 361 N -3.94 2.03 0.67 2.29 0.15 -0.50 0.02 113.70 114.42 3iss s SER 361 Ca 0.40 -0.60 -0.17 0.00 0.70 0.00 0.00 55.95 56.29 3iss s SER 361 Cb 0.03 -0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 3iss s SER 361 CO 0.22 0.01 1.22 -0.83 1.20 0.00 0.00 173.24 175.07 3iss s GLY 362 N -1.63 2.56 0.16 9.45 0.00 -0.75 -4.57 107.32 112.53 3iss s GLY 362 Ca 0.02 0.98 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 3iss s GLY 362 CO 0.03 1.38 0.92 0.00 0.00 0.00 0.00 173.10 175.43 3iss s ALA 363 N -1.76 -1.62 -0.12 3.20 0.00 -1.04 -4.82 121.76 115.59 3iss s ALA 363 Ca 0.77 0.15 -0.25 0.00 0.00 0.00 0.00 51.96 52.63 3iss s ALA 363 Cb -0.31 0.65 -0.02 0.00 0.00 0.00 0.00 23.12 23.44 3iss s ALA 363 CO 0.41 -1.01 0.79 -0.65 0.00 0.00 0.00 175.76 175.30 3iss s GLN 364 N -3.35 4.36 0.12 0.00 -0.21 -1.26 -1.95 119.66 117.36 3iss s GLN 364 Ca 0.11 0.99 0.03 0.00 0.02 0.00 0.00 55.36 56.51 3iss s GLN 364 Cb -0.02 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.43 3iss s GLN 364 CO 0.02 -0.18 -0.08 0.14 -2.12 0.00 0.00 175.29 173.07 3iss s VAL 365 N 1.61 0.90 -0.15 1.09 -7.23 -0.04 -4.95 120.40 111.63 3iss s VAL 365 Ca 0.39 -1.93 0.02 0.00 -1.81 0.00 0.00 61.98 58.65 3iss s VAL 365 Cb -0.17 -1.68 0.01 0.00 0.56 0.00 0.00 36.38 35.10 3iss s VAL 365 CO 0.16 -0.78 -0.20 -0.32 -0.31 0.00 0.00 175.10 173.65 3iss s MET 366 N -3.62 3.06 0.43 4.82 1.75 -1.26 -1.05 119.30 123.43 3iss s MET 366 Ca 0.12 -0.83 -0.21 0.00 -1.25 0.00 0.00 55.69 53.52 3iss s MET 366 Cb 0.03 -2.50 -0.10 0.00 2.84 0.00 0.00 34.83 35.09 3iss s MET 366 CO -0.02 -0.04 0.97 0.00 -0.65 0.00 0.00 175.02 175.27 3iss s ALA 367 N 0.90 3.02 0.00 4.11 0.00 -0.67 -4.92 121.76 124.20 3iss s ALA 367 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3iss s ALA 367 Cb -0.15 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3iss s ALA 367 CO -0.03 0.05 0.00 0.25 0.00 0.00 0.00 175.76 176.03 3iss n THR 368 N -0.61 0.00 -4.00 0.00 -2.24 -1.26 -4.76 114.28 101.41 3iss n THR 368 Ca 0.07 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.55 3iss n THR 368 Cb 0.53 0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.92 3iss n THR 368 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iss s ASP 369 N 0.00 3.08 0.25 3.42 -1.08 -1.26 -5.01 116.67 116.07 3iss s ASP 369 Ca 0.00 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.46 3iss s ASP 369 Cb 0.00 -1.21 0.90 0.00 -1.46 0.00 0.00 42.92 41.15 3iss s ASP 369 CO 0.00 -0.11 1.04 -0.11 0.52 0.00 0.00 175.17 176.52 3iss n LEU 370 N 4.72 0.23 -0.05 -1.34 7.94 -1.26 -1.70 117.00 125.54 3iss n LEU 370 Ca -0.16 1.09 -0.08 0.00 -1.11 0.00 0.00 56.01 55.75 3iss n LEU 370 Cb 0.48 -0.53 -0.04 0.00 0.53 0.00 0.00 43.42 43.86 3iss n LEU 370 CO 0.21 -1.21 -0.80 0.54 -1.11 0.00 0.00 177.39 175.01 3iss n ARG 371 N -4.46 0.22 -0.20 1.96 5.12 -1.26 -4.14 116.66 113.89 3iss n ARG 371 Ca 0.25 0.06 0.03 0.00 -1.93 0.00 0.00 57.85 56.27 3iss n ARG 371 Cb 0.86 -1.07 0.29 0.00 -1.16 0.00 0.00 32.46 31.39 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 1.56 0.00 7.54 0.00 -1.81 -2.76 119.26 123.68 3iss h ALA 372 Ca -0.21 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3iss h ALA 372 Cb 1.28 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3iss h ALA 372 CO -0.07 0.37 0.00 0.43 0.00 0.00 0.00 179.25 179.98 3iss n SER 373 N -4.45 0.61 0.14 0.00 7.64 -0.69 -1.96 113.62 114.92 3iss n SER 373 Ca 0.09 0.67 0.17 0.00 1.01 0.00 0.00 58.87 60.81 3iss n SER 373 Cb 0.11 -0.80 0.75 0.00 -1.01 0.00 0.00 64.21 63.27 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 2.22 2.08 0.00 -0.43 0.00 -1.72 0.92 119.26 122.33 3iss h ALA 374 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iss h ALA 374 Cb 0.29 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iss h ALA 374 CO 0.00 -0.38 -0.16 0.66 0.00 0.00 0.00 179.25 179.37 3iss h SER 375 N 0.00 0.00 -0.30 0.00 4.64 -1.61 -1.20 113.55 115.08 3iss h SER 375 Ca 0.13 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 3iss h SER 375 Cb 0.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 3iss h SER 375 CO -0.00 0.16 -0.44 -0.07 -0.87 0.00 0.00 176.83 175.61 3iss h LEU 376 N 0.00 0.93 0.02 5.97 3.38 -1.02 -0.16 115.31 124.43 3iss h LEU 376 Ca -0.00 -0.45 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 3iss h LEU 376 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3iss h LEU 376 CO 0.02 1.23 -0.01 0.58 0.09 0.00 0.00 178.44 180.35 3iss h VAL 377 N 0.69 1.06 -0.75 1.22 2.07 -1.42 -1.38 116.25 117.75 3iss h VAL 377 Ca 0.04 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.42 3iss h VAL 377 Cb 1.02 1.23 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 3iss h VAL 377 CO 0.10 0.07 0.37 -0.07 0.02 0.00 0.00 177.57 178.06 3iss h LEU 378 N -0.14 0.47 -0.84 2.57 4.07 -1.19 -1.56 115.31 118.69 3iss h LEU 378 Ca -0.00 0.07 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 3iss h LEU 378 Cb 0.13 -0.01 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 3iss h LEU 378 CO 0.01 0.25 0.42 0.00 -1.08 0.00 0.00 178.44 178.03 3iss h ALA 379 N 1.46 1.08 -0.83 1.53 0.00 -0.78 -2.34 119.26 119.39 3iss h ALA 379 Ca 0.38 -0.15 0.12 0.00 0.00 0.00 0.00 54.91 55.25 3iss h ALA 379 Cb 0.44 -0.33 -0.08 0.00 0.00 0.00 0.00 17.79 17.81 3iss h ALA 379 CO -0.30 0.63 0.45 0.78 0.00 0.00 0.00 179.25 180.82 3iss h GLY 380 N 1.19 1.32 1.82 0.00 0.00 -0.26 -0.86 103.07 106.28 3iss h GLY 380 Ca 0.29 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 3iss h GLY 380 CO -0.04 0.05 0.02 0.00 0.00 0.00 0.00 176.54 176.57 3iss n ILE 382 N -4.41 0.00 -1.66 0.00 -5.35 -0.94 -1.52 119.36 105.47 3iss n ILE 382 Ca -0.00 -0.36 -0.31 0.00 -0.27 0.00 0.00 62.75 61.81 3iss n ILE 382 Cb 0.15 1.13 0.05 0.00 -1.74 0.00 0.00 39.64 39.24 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 -1.62 2.67 -0.56 -1.28 0.00 -0.37 -4.55 121.76 116.05 3iss s ALA 383 Ca 0.10 -0.08 -0.24 0.00 0.00 0.00 0.00 51.96 51.74 3iss s ALA 383 Cb 0.10 -3.12 0.04 0.00 0.00 0.00 0.00 23.12 20.14 3iss s ALA 383 CO 0.33 -1.25 0.96 -2.00 0.00 0.00 0.00 175.76 173.80 3iss s GLU 384 N -5.14 3.32 0.00 0.00 2.56 0.10 -1.73 118.70 117.81 3iss s GLU 384 Ca 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 54.97 55.26 3iss s GLU 384 Cb -0.13 -4.07 0.00 0.00 2.00 0.00 0.00 34.13 31.93 3iss s GLU 384 CO 0.54 -1.53 0.00 0.41 -0.56 0.00 0.00 175.26 174.12 3iss n GLY 385 N 5.14 0.66 3.37 -1.50 0.00 -0.05 -1.82 105.19 110.99 3iss n GLY 385 Ca 0.02 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 3iss n GLY 385 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iss s THR 386 N 0.00 3.33 -0.07 2.61 2.01 -1.26 -1.00 115.64 121.25 3iss s THR 386 Ca 0.00 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.50 3iss s THR 386 Cb 0.00 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 3iss s THR 386 CO 0.00 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.34 3iss s THR 387 N 0.75 2.62 -0.22 -0.82 2.01 0.01 -2.49 115.64 117.50 3iss s THR 387 Ca -0.03 -0.86 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 3iss s THR 387 Cb -0.15 -2.02 0.02 0.00 0.01 0.00 0.00 72.50 70.36 3iss s THR 387 CO 0.02 0.57 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.73 3iss s VAL 388 N -0.23 2.78 -0.19 3.82 1.01 -0.82 -0.41 120.40 126.35 3iss s VAL 388 Ca -0.00 -0.87 -0.08 0.00 0.00 0.00 0.00 61.98 61.03 3iss s VAL 388 Cb -0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3iss s VAL 388 CO 0.03 0.35 0.08 -0.69 0.00 0.00 0.00 175.10 174.87 3iss s VAL 389 N 1.35 4.90 0.29 2.92 1.01 0.03 -0.86 120.40 130.05 3iss s VAL 389 Ca 0.03 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.09 3iss s VAL 389 Cb -0.15 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3iss s VAL 389 CO -0.06 0.44 0.24 -1.81 0.00 0.00 0.00 175.10 173.91 3iss s ASP 390 N 0.52 5.39 -1.21 3.32 1.01 -0.21 -1.09 116.67 124.40 3iss s ASP 390 Ca 0.04 -0.38 -0.21 0.00 0.71 0.00 0.00 52.55 52.71 3iss s ASP 390 Cb -0.12 -1.18 0.01 0.00 1.01 0.00 0.00 42.92 42.64 3iss s ASP 390 CO 0.01 -0.20 0.68 0.54 0.21 0.00 0.00 175.17 176.41 3iss n ARG 391 N -1.27 -1.27 0.00 8.23 1.74 -1.24 -1.68 116.66 121.17 3iss n ARG 391 Ca -0.05 0.34 0.15 0.00 -0.77 0.00 0.00 57.85 57.52 3iss n ARG 391 Cb 0.59 -3.75 0.90 0.00 -1.02 0.00 0.00 32.46 29.17 3iss n ARG 391 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 3iss n ILE 392 N -4.46 0.00 0.05 0.55 -5.35 -1.24 -3.44 119.36 105.48 3iss n ILE 392 Ca -0.14 0.00 0.16 0.00 -0.27 0.00 0.00 62.75 62.50 3iss n ILE 392 Cb 0.60 -0.53 0.64 0.00 -1.74 0.00 0.00 39.64 38.62 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 0.08 -0.23 4.28 -0.00 -1.89 0.30 116.97 119.52 3iss h TYR 393 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 58.73 58.78 3iss h TYR 393 Cb 0.01 -0.03 -0.05 0.00 0.00 0.00 0.00 36.73 36.67 3iss h TYR 393 CO 0.00 0.04 -0.07 0.45 -0.00 0.00 0.00 178.16 178.58 3iss h HIS 394 N 0.07 -0.16 -0.24 0.10 3.86 -1.93 -2.68 115.15 114.17 3iss h HIS 394 Ca 0.20 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.38 3iss h HIS 394 Cb 0.69 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.25 3iss h HIS 394 CO -0.00 -0.12 -0.07 0.82 0.86 0.00 0.00 177.93 179.42 3iss h ILE 395 N -0.02 1.19 0.00 2.45 2.04 -0.70 -1.55 117.51 120.91 3iss h ILE 395 Ca 0.11 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 3iss h ILE 395 Cb 0.19 1.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3iss h ILE 395 CO -0.25 0.25 -0.01 0.44 0.00 0.00 0.00 178.15 178.58 3iss h ASP 396 N 0.36 0.00 1.09 1.72 3.32 -0.91 -0.19 116.42 121.82 3iss h ASP 396 Ca 0.08 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 3iss h ASP 396 Cb 0.35 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3iss h ASP 396 CO 0.02 0.01 -0.29 0.03 -1.72 0.00 0.00 179.24 177.29 3iss h ARG 397 N 0.00 0.00 0.00 3.56 3.08 -1.08 -2.73 114.38 117.20 3iss h ARG 397 Ca -0.00 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 3iss h ARG 397 Cb 0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3iss h ARG 397 CO 0.00 0.29 -1.55 0.41 -1.07 0.00 0.00 179.97 178.05 3iss n GLY 398 N 0.44 -0.45 3.03 0.04 0.00 -0.18 -3.68 105.19 104.38 3iss n GLY 398 Ca 0.01 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.42 0.97 -0.44 1.61 2.02 -0.59 -4.95 117.35 113.56 3iss s TYR 399 Ca -0.04 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 3iss s TYR 399 Cb 0.04 -0.66 0.02 0.00 -0.40 0.00 0.00 41.96 40.96 3iss s TYR 399 CO 0.39 -0.06 1.24 -2.00 -1.57 0.00 0.00 175.55 173.54 3iss s GLU 400 N -0.01 3.70 -0.63 -0.62 2.12 -1.26 -4.39 118.70 117.60 3iss s GLU 400 Ca 0.00 0.75 -0.18 0.00 0.36 0.00 0.00 54.97 55.90 3iss s GLU 400 Cb -0.07 -3.94 0.03 0.00 0.26 0.00 0.00 34.13 30.41 3iss s GLU 400 CO 0.00 -1.42 0.64 2.89 -0.54 0.00 0.00 175.26 176.83 3iss n ARG 401 N 7.86 -1.75 0.10 4.30 1.85 -1.26 -4.88 116.66 122.88 3iss n ARG 401 Ca 0.14 1.19 -0.03 0.00 -1.00 0.00 0.00 57.85 58.14 3iss n ARG 401 Cb 0.48 -2.67 0.03 0.00 -1.05 0.00 0.00 32.46 29.25 3iss n ARG 401 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 3iss h ILE 402 N 0.93 1.50 -0.14 8.89 2.10 -1.96 -3.25 117.51 125.58 3iss h ILE 402 Ca -0.52 -2.72 -0.11 0.00 1.08 0.00 0.00 64.86 62.59 3iss h ILE 402 Cb 1.35 2.49 -0.01 0.00 -1.09 0.00 0.00 36.82 39.56 3iss h ILE 402 CO 0.29 0.76 -0.40 1.05 -1.08 0.00 0.00 178.15 178.77 3iss h GLU 403 N 0.00 0.32 -0.26 2.19 9.09 -1.97 -1.83 114.58 122.11 3iss h GLU 403 Ca -0.01 -0.15 -0.07 0.00 0.05 0.00 0.00 59.36 59.18 3iss h GLU 403 Cb 1.43 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.52 3iss h GLU 403 CO 0.10 0.67 -0.10 -0.44 0.05 0.00 0.00 179.01 179.30 3iss h ASP 404 N 0.27 0.54 -0.39 3.06 3.32 -1.93 -0.54 116.42 120.75 3iss h ASP 404 Ca 0.02 -0.39 -0.12 0.00 0.02 0.00 0.00 57.03 56.56 3iss h ASP 404 Cb 0.83 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 3iss h ASP 404 CO 0.07 0.81 -0.21 0.11 -1.72 0.00 0.00 179.24 178.30 3iss h LYS 405 N 0.27 0.88 -0.48 3.56 1.57 -1.58 -1.75 116.57 119.05 3iss h LYS 405 Ca 0.06 -0.36 -0.10 0.00 -1.87 0.00 0.00 60.65 58.38 3iss h LYS 405 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 3iss h LYS 405 CO 0.03 1.01 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.75 3iss h LEU 406 N 0.77 0.92 -0.63 2.94 3.38 -1.28 -3.08 115.31 118.32 3iss h LEU 406 Ca 0.10 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3iss h LEU 406 Cb 0.75 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3iss h LEU 406 CO 0.06 1.06 0.41 -0.09 0.09 0.00 0.00 178.44 179.97 3iss h ARG 407 N 0.76 0.84 0.00 1.13 2.43 -0.97 -1.23 114.38 117.34 3iss h ARG 407 Ca 0.12 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3iss h ARG 407 Cb 0.66 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3iss h ARG 407 CO 0.05 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.08 3iss n ALA 408 N -2.28 1.49 0.39 2.80 0.00 -0.67 -0.54 120.51 121.69 3iss n ALA 408 Ca 0.05 -0.02 0.05 0.00 0.00 0.00 0.00 53.44 53.51 3iss n ALA 408 Cb 0.03 -1.08 0.05 0.00 0.00 0.00 0.00 19.45 18.45 3iss n ALA 408 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iss n LEU 409 N -1.21 1.88 0.00 0.00 4.77 -0.56 -4.67 117.00 117.20 3iss n LEU 409 Ca 0.03 -1.04 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3iss n LEU 409 Cb 0.03 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 3iss n LEU 409 CO 0.03 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3iss n GLY 410 N 0.56 1.02 3.76 -0.72 0.00 0.30 -1.12 105.19 108.98 3iss n GLY 410 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 3.41 -0.78 4.61 0.00 -0.63 -4.77 121.76 121.60 3iss s ALA 411 Ca 0.00 0.95 -0.17 0.00 0.00 0.00 0.00 51.96 52.74 3iss s ALA 411 Cb 0.00 -3.35 0.15 0.00 0.00 0.00 0.00 23.12 19.92 3iss s ALA 411 CO 0.00 -0.25 0.86 1.21 0.00 0.00 0.00 175.76 177.58 3iss s ASN 412 N -0.84 6.51 -0.00 0.00 3.84 -1.26 -4.38 114.94 118.81 3iss s ASN 412 Ca 0.46 -2.04 0.01 0.00 0.21 0.00 0.00 52.86 51.50 3iss s ASN 412 Cb -0.33 -2.30 -0.00 0.00 -0.55 0.00 0.00 41.25 38.07 3iss s ASN 412 CO 0.43 -0.92 -0.04 -0.51 -2.79 0.00 0.00 177.10 173.27 3iss s ILE 413 N 1.85 0.30 0.00 -5.21 2.07 -1.26 -0.76 121.20 118.19 3iss s ILE 413 Ca 0.20 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.29 3iss s ILE 413 Cb -0.14 -0.26 -0.00 0.00 0.13 0.00 0.00 42.46 42.19 3iss s ILE 413 CO -0.04 0.09 -0.01 -0.70 -1.91 0.00 0.00 174.94 172.37 3iss s GLU 414 N -0.05 0.07 -0.40 3.50 2.12 -0.00 -4.98 118.70 118.95 3iss s GLU 414 Ca 0.01 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.12 3iss s GLU 414 Cb -0.02 -0.05 0.01 0.00 0.26 0.00 0.00 34.13 34.33 3iss s GLU 414 CO -0.00 0.01 0.46 0.50 -0.54 0.00 0.00 175.26 175.69 3iss s ARG 415 N -0.07 3.29 0.30 4.30 3.52 -1.26 -0.37 118.95 128.65 3iss s ARG 415 Ca -0.00 -0.55 0.09 0.00 -0.13 0.00 0.00 55.73 55.13 3iss s ARG 415 Cb -0.01 -3.91 -0.04 0.00 -1.56 0.00 0.00 34.95 29.43 3iss s ARG 415 CO -0.00 -0.78 0.10 0.14 -0.81 0.00 0.00 175.30 173.95 3iss s VAL 416 N 2.24 3.38 -0.41 7.11 -7.23 -0.62 -4.94 120.40 119.92 3iss s VAL 416 Ca 0.14 -1.72 0.04 0.00 -1.81 0.00 0.00 61.98 58.63 3iss s VAL 416 Cb -0.16 -2.99 0.46 0.00 0.56 0.00 0.00 36.38 34.25 3iss s VAL 416 CO 0.14 -0.27 1.49 0.29 -0.31 0.00 0.00 175.10 176.44 3iss n LYS 417 N -1.07 3.10 0.00 4.82 4.76 -1.26 -1.61 118.16 126.89 3iss n LYS 417 Ca -0.05 -3.77 0.00 0.00 -2.87 0.00 0.00 58.31 51.62 3iss n LYS 417 Cb 0.60 -2.22 0.00 0.00 -1.84 0.00 0.00 35.03 31.57 3iss n LYS 417 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44