#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mev s ASN 9 N 0.00 6.60 0.44 1.62 -0.87 -1.26 -5.06 114.94 116.41 2mev s ASN 9 Ca 0.00 2.63 0.04 0.00 -1.57 0.00 0.00 52.86 53.96 2mev s ASN 9 Cb 0.00 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.58 2mev s ASN 9 CO 0.00 -0.80 0.03 -0.22 -2.57 0.00 0.00 177.10 173.54 2mev s LEU 10 N 0.77 2.45 0.00 0.60 2.96 -1.07 -4.89 118.68 119.50 2mev s LEU 10 Ca 0.67 -1.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.06 2mev s LEU 10 Cb -0.43 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 45.59 2mev s LEU 10 CO 0.34 -0.69 0.00 -1.20 -1.32 0.00 0.00 176.35 173.48 2mev n SER 11 N -1.09 0.00 -1.44 3.68 7.64 -1.26 -0.21 113.62 120.94 2mev n SER 11 Ca -0.10 0.00 0.10 0.00 1.01 0.00 0.00 58.87 59.88 2mev n SER 11 Cb 0.67 0.00 0.33 0.00 -1.01 0.00 0.00 64.21 64.20 2mev n SER 11 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2mev n ASP 12 N -0.42 4.23 -0.02 6.43 10.43 -1.26 -3.68 116.55 132.27 2mev n ASP 12 Ca 0.00 -2.25 0.01 0.00 2.57 0.00 0.00 54.79 55.12 2mev n ASP 12 Cb 0.00 -0.53 -0.01 0.00 1.84 0.00 0.00 41.12 42.43 2mev n ASP 12 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2mev n ARG 13 N 1.27 4.70 -3.10 -1.24 1.74 0.71 -4.93 116.66 115.81 2mev n ARG 13 Ca 0.24 -0.15 -0.41 0.00 -0.77 0.00 0.00 57.85 56.76 2mev n ARG 13 Cb 0.75 -0.70 -0.06 0.00 -1.02 0.00 0.00 32.46 31.43 2mev n ARG 13 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2mev s VAL 14 N -0.94 4.96 -0.09 1.55 1.01 -0.64 -1.18 120.40 125.08 2mev s VAL 14 Ca 0.01 1.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 2mev s VAL 14 Cb 0.01 -3.97 0.02 0.00 0.00 0.00 0.00 36.38 32.45 2mev s VAL 14 CO 0.06 -0.04 0.27 -0.55 0.00 0.00 0.00 175.10 174.84 2mev s SER 15 N 1.53 -0.26 0.12 3.32 0.15 -0.44 -4.91 113.70 113.21 2mev s SER 15 Ca 0.26 0.47 0.10 0.00 0.70 0.00 0.00 55.95 57.48 2mev s SER 15 Cb -0.15 0.52 -0.04 0.00 -1.71 0.00 0.00 66.02 64.64 2mev s SER 15 CO 0.10 -0.14 -0.25 0.00 1.20 0.00 0.00 173.24 174.14 2mev s GLN 16 N -0.07 1.34 -0.14 5.44 -2.07 -1.26 -1.11 119.66 121.79 2mev s GLN 16 Ca -0.02 -1.29 -0.03 0.00 -1.82 0.00 0.00 55.36 52.20 2mev s GLN 16 Cb -0.03 -1.76 0.05 0.00 -1.09 0.00 0.00 33.01 30.18 2mev s GLN 16 CO 0.01 0.42 0.06 0.34 -1.32 0.00 0.00 175.29 174.79 2mev s ASP 17 N -1.99 2.12 -0.09 12.60 3.68 0.17 -4.94 116.67 128.22 2mev s ASP 17 Ca 0.12 -0.44 -0.18 0.00 2.13 0.00 0.00 52.55 54.17 2mev s ASP 17 Cb -0.10 -0.33 -0.04 0.00 -1.45 0.00 0.00 42.92 41.00 2mev s ASP 17 CO 0.05 -0.30 0.48 -0.89 0.13 0.00 0.00 175.17 174.65 2mev s THR 18 N 2.06 5.14 0.00 1.71 2.01 -1.26 -0.81 115.64 124.49 2mev s THR 18 Ca 0.02 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.00 2mev s THR 18 Cb -0.15 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.54 2mev s THR 18 CO -0.07 0.36 0.00 0.00 -0.69 0.00 0.00 174.62 174.22 2mev n ALA 19 N 3.39 2.61 -1.00 7.40 0.00 0.82 -4.98 120.51 128.76 2mev n ALA 19 Ca -0.08 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2mev n ALA 19 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2mev n ALA 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2mev n GLY 20 N 3.62 0.23 1.04 0.00 0.00 -1.25 -4.70 105.19 104.13 2mev n GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 2mev n GLY 20 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2mev n ASN 21 N -1.00 2.74 -4.21 1.61 6.94 -1.26 -4.95 115.26 115.13 2mev n ASN 21 Ca 0.00 -3.59 -0.27 0.00 -0.02 0.00 0.00 54.58 50.70 2mev n ASN 21 Cb 0.00 -0.60 -0.16 0.00 -2.36 0.00 0.00 39.78 36.66 2mev n ASN 21 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2mev s THR 22 N -3.14 1.59 -0.14 5.53 2.01 -1.26 -5.07 115.64 115.16 2mev s THR 22 Ca 0.43 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.50 2mev s THR 22 Cb 0.39 -1.33 0.05 0.00 0.01 0.00 0.00 72.50 71.62 2mev s THR 22 CO 0.02 0.45 0.33 0.54 -0.69 0.00 0.00 174.62 175.27 2mev s VAL 23 N -0.43 -0.03 -0.07 3.82 0.11 -1.26 -0.13 120.40 122.41 2mev s VAL 23 Ca 0.07 0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.19 2mev s VAL 23 Cb -0.08 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2mev s VAL 23 CO -0.00 0.04 0.04 0.42 -3.33 0.00 0.00 175.10 172.27 2mev s THR 24 N 1.15 4.63 0.02 5.04 -4.23 0.01 -4.90 115.64 117.36 2mev s THR 24 Ca -0.08 -0.20 0.04 0.00 -1.18 0.00 0.00 61.69 60.28 2mev s THR 24 Cb -0.08 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.74 2mev s THR 24 CO -0.09 0.55 -0.14 0.20 -0.54 0.00 0.00 174.62 174.61 2mev s ASN 25 N -1.10 1.60 0.03 3.99 -0.87 -1.26 -0.65 114.94 116.68 2mev s ASN 25 Ca 0.16 -0.38 0.00 0.00 -1.57 0.00 0.00 52.86 51.07 2mev s ASN 25 Cb -0.12 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.25 40.96 2mev s ASN 25 CO 0.05 0.07 -0.04 0.28 -2.57 0.00 0.00 177.10 174.90 2mev s THR 26 N -0.66 0.19 -0.12 1.60 -1.32 -0.27 -5.01 115.64 110.05 2mev s THR 26 Ca 0.03 -1.09 0.08 0.00 -1.21 0.00 0.00 61.69 59.49 2mev s THR 26 Cb -0.07 -0.52 0.14 0.00 -1.51 0.00 0.00 72.50 70.54 2mev s THR 26 CO 0.01 -0.57 1.09 0.00 -2.21 0.00 0.00 174.62 172.93 2mev n GLN 27 N 1.33 2.45 -2.71 7.08 6.02 -1.26 -1.33 117.38 128.97 2mev n GLN 27 Ca -0.22 -1.94 -0.05 0.00 -0.01 0.00 0.00 57.00 54.77 2mev n GLN 27 Cb 0.56 -1.22 0.08 0.00 1.02 0.00 0.00 30.24 30.69 2mev n GLN 27 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2mev n SER 28 N -0.71 -0.15 -4.89 1.08 3.41 -0.46 -2.60 113.62 109.30 2mev n SER 28 Ca 0.07 -2.41 -0.30 0.00 -0.26 0.00 0.00 58.87 55.97 2mev n SER 28 Cb 0.41 0.20 0.06 0.00 -0.26 0.00 0.00 64.21 64.63 2mev n SER 28 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2mev s THR 29 N -1.58 2.95 -0.00 6.66 -1.32 -0.32 -3.93 115.64 118.09 2mev s THR 29 Ca 0.22 0.31 0.01 0.00 -1.21 0.00 0.00 61.69 61.01 2mev s THR 29 Cb 0.41 -3.30 0.01 0.00 -1.51 0.00 0.00 72.50 68.11 2mev s THR 29 CO -0.05 -0.40 0.87 1.33 -2.21 0.00 0.00 174.62 174.16 2mev n VAL 30 N -3.13 0.75 0.00 5.08 0.24 -1.26 -4.72 118.33 115.29 2mev n VAL 30 Ca 0.07 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2mev n VAL 30 Cb 0.59 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 2mev n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2mev n GLY 31 N -0.39 2.12 3.56 7.63 0.00 -1.26 -4.99 105.19 111.85 2mev n GLY 31 Ca 0.01 -2.04 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 2mev n GLY 31 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2mev s ARG 32 N -2.25 3.81 -0.25 1.61 3.52 -1.26 -4.24 118.95 119.88 2mev s ARG 32 Ca 0.00 -0.41 -0.25 0.00 -0.13 0.00 0.00 55.73 54.94 2mev s ARG 32 Cb 0.00 -3.64 -0.00 0.00 -1.56 0.00 0.00 34.95 29.74 2mev s ARG 32 CO 0.00 -0.24 0.84 -1.17 -0.81 0.00 0.00 175.30 173.92 2mev s LEU 33 N 1.73 4.08 -0.42 -0.88 1.98 -0.40 -4.95 118.68 119.82 2mev s LEU 33 Ca 0.07 1.01 -0.17 0.00 -2.89 0.00 0.00 54.13 52.15 2mev s LEU 33 Cb -0.16 -3.19 0.02 0.00 0.66 0.00 0.00 46.19 43.52 2mev s LEU 33 CO 0.10 -0.54 0.41 -0.69 -1.89 0.00 0.00 176.35 173.75 2mev s VAL 34 N 2.88 5.12 0.40 1.68 1.01 -1.26 -1.95 120.40 128.28 2mev s VAL 34 Ca 0.35 -0.43 -0.26 0.00 0.00 0.00 0.00 61.98 61.64 2mev s VAL 34 Cb -0.15 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 32.11 2mev s VAL 34 CO 0.08 -0.41 1.35 -0.83 0.00 0.00 0.00 175.10 175.28 2mev s GLY 35 N 1.81 2.94 0.00 4.51 0.00 0.85 -1.65 107.32 115.79 2mev s GLY 35 Ca 0.11 1.32 0.00 0.00 0.00 0.00 0.00 44.72 46.15 2mev s GLY 35 CO 0.13 1.93 0.00 -1.72 0.00 0.00 0.00 173.10 173.44 2mev n TYR 36 N 0.20 0.00 -1.93 1.90 4.01 -1.26 -3.22 117.16 116.85 2mev n TYR 36 Ca 0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.59 2mev n TYR 36 Cb 0.42 -1.35 -0.04 0.00 -0.31 0.00 0.00 39.34 38.06 2mev n TYR 36 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2mev n GLY 37 N -0.75 0.69 3.16 2.72 0.00 -0.66 -4.99 105.19 105.36 2mev n GLY 37 Ca 0.00 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.78 2mev n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mev s THR 38 N -2.78 0.15 0.22 2.61 2.01 -1.20 -5.09 115.64 111.56 2mev s THR 38 Ca 0.00 -1.24 0.09 0.00 0.31 0.00 0.00 61.69 60.85 2mev s THR 38 Cb 0.00 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2mev s THR 38 CO 0.00 -0.69 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.49 2mev s VAL 39 N -3.37 3.27 -0.02 3.82 1.01 -1.26 -3.52 120.40 120.32 2mev s VAL 39 Ca 0.01 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.91 2mev s VAL 39 Cb 0.03 -2.67 -0.07 0.00 0.00 0.00 0.00 36.38 33.67 2mev s VAL 39 CO -0.08 -0.23 1.74 -2.28 0.00 0.00 0.00 175.10 174.25 2mev s HIS 40 N -1.99 1.81 -0.34 5.22 2.46 -1.26 -4.80 115.29 116.39 2mev s HIS 40 Ca 0.28 0.02 0.27 0.00 0.47 0.00 0.00 55.06 56.10 2mev s HIS 40 Cb -0.08 -4.01 0.84 0.00 -0.13 0.00 0.00 32.58 29.21 2mev s HIS 40 CO 0.17 -4.31 1.77 0.38 -2.47 0.00 0.00 174.74 170.28 2mev h ASP 41 N 9.77 0.00 -0.05 9.88 -0.00 -1.92 -3.45 116.42 130.64 2mev h ASP 41 Ca -0.42 0.00 -0.02 0.00 -0.00 0.00 0.00 57.03 56.59 2mev h ASP 41 Cb 1.19 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 40.52 2mev h ASP 41 CO 0.95 0.00 -0.02 0.61 -0.00 0.00 0.00 179.24 180.78 2mev n GLY 42 N 0.65 0.49 3.80 7.15 0.00 -1.26 -5.01 105.19 111.01 2mev n GLY 42 Ca 0.03 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 2mev n GLY 42 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2mev s GLU 43 N -1.49 4.21 0.49 1.61 2.12 -1.26 -4.92 118.70 119.46 2mev s GLU 43 Ca 0.00 1.29 -0.22 0.00 0.36 0.00 0.00 54.97 56.40 2mev s GLU 43 Cb 0.00 -2.37 -0.06 0.00 0.26 0.00 0.00 34.13 31.95 2mev s GLU 43 CO 0.00 -0.06 1.22 -1.01 -0.54 0.00 0.00 175.26 174.87 2mev s HIS 44 N -1.91 2.68 0.12 5.30 3.76 -1.26 -4.96 115.29 119.01 2mev s HIS 44 Ca 0.60 1.49 -0.30 0.00 -0.15 0.00 0.00 55.06 56.69 2mev s HIS 44 Cb -0.15 -3.50 -0.07 0.00 1.11 0.00 0.00 32.58 29.96 2mev s HIS 44 CO 0.20 -1.94 1.23 -1.25 -0.85 0.00 0.00 174.74 172.12 2mev s PRO 45 N -2.80 4.44 0.00 8.40 0.04 -1.26 -4.88 135.00 138.93 2mev s PRO 45 Ca 0.67 1.87 0.28 0.00 0.04 0.00 0.00 61.00 63.85 2mev s PRO 45 Cb -0.32 -3.28 1.62 0.00 0.04 0.00 0.00 34.50 32.56 2mev s PRO 45 CO 0.38 -0.22 1.99 0.00 0.04 0.00 0.00 177.00 179.20 2mev n ALA 46 N 3.33 2.51 1.10 8.56 0.00 -1.26 -3.11 120.51 131.64 2mev n ALA 46 Ca 0.07 -0.17 0.12 0.00 0.00 0.00 0.00 53.44 53.47 2mev n ALA 46 Cb 0.45 -1.45 0.17 0.00 0.00 0.00 0.00 19.45 18.61 2mev n ALA 46 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2mev n SER 47 N -1.04 2.38 -4.32 0.00 3.41 -1.26 -4.91 113.62 107.89 2mev n SER 47 Ca 0.20 -1.72 -0.33 0.00 -0.26 0.00 0.00 58.87 56.75 2mev n SER 47 Cb 0.11 0.12 -0.15 0.00 -0.26 0.00 0.00 64.21 64.04 2mev n SER 47 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2mev h ALA 49 N 7.03 0.50 -2.44 0.00 0.00 -1.90 -3.46 119.26 119.00 2mev h ALA 49 Ca -0.29 -0.82 -0.48 0.00 0.00 0.00 0.00 54.91 53.32 2mev h ALA 49 Cb 1.20 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.97 2mev h ALA 49 CO 0.56 1.08 0.40 0.16 0.00 0.00 0.00 179.25 181.45 2mev s ASP 50 N -6.52 6.55 0.20 0.00 -4.77 -1.26 -5.01 116.67 105.86 2mev s ASP 50 Ca 0.01 2.01 -0.30 0.00 -3.30 0.00 0.00 52.55 50.97 2mev s ASP 50 Cb 0.09 -2.58 -0.08 0.00 -1.09 0.00 0.00 42.92 39.26 2mev s ASP 50 CO 0.80 -0.64 1.07 -0.89 0.70 0.00 0.00 175.17 176.21 2mev s THR 51 N -1.79 3.87 0.66 2.11 2.01 -1.26 -5.00 115.64 116.24 2mev s THR 51 Ca 0.62 1.68 -0.11 0.00 0.31 0.00 0.00 61.69 64.19 2mev s THR 51 Cb -0.20 -4.07 -0.02 0.00 0.01 0.00 0.00 72.50 68.22 2mev s THR 51 CO 0.25 0.32 1.05 0.00 -0.69 0.00 0.00 174.62 175.54 2mev s ALA 52 N -0.49 2.95 -0.20 7.40 0.00 -1.26 -4.92 121.76 125.24 2mev s ALA 52 Ca 0.47 -0.09 -0.09 0.00 0.00 0.00 0.00 51.96 52.24 2mev s ALA 52 Cb -0.29 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2mev s ALA 52 CO 0.35 -0.91 0.12 -1.12 0.00 0.00 0.00 175.76 174.20 2mev s SER 53 N -4.11 6.07 0.23 0.00 0.01 -0.25 -4.93 113.70 110.72 2mev s SER 53 Ca 0.56 0.19 -0.09 0.00 1.31 0.00 0.00 55.95 57.93 2mev s SER 53 Cb -0.12 -2.06 -0.02 0.00 0.21 0.00 0.00 66.02 64.03 2mev s SER 53 CO 0.54 0.17 0.35 -1.83 0.41 0.00 0.00 173.24 172.88 2mev s GLU 54 N 0.40 1.41 -1.48 12.44 -1.05 -1.26 -1.59 118.70 127.57 2mev s GLU 54 Ca 0.07 -1.39 -0.10 0.00 -0.15 0.00 0.00 54.97 53.40 2mev s GLU 54 Cb -0.11 0.40 0.06 0.00 -0.44 0.00 0.00 34.13 34.04 2mev s GLU 54 CO -0.01 -0.55 0.88 1.63 0.95 0.00 0.00 175.26 178.16 2mev n LYS 55 N -0.34 -5.19 -2.72 -4.83 5.02 -1.26 -4.95 118.16 103.90 2mev n LYS 55 Ca -0.00 0.58 -0.43 0.00 -2.02 0.00 0.00 58.31 56.44 2mev n LYS 55 Cb 0.63 -5.35 -0.03 0.00 -0.02 0.00 0.00 35.03 30.26 2mev n LYS 55 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2mev s ILE 56 N -3.42 4.56 0.19 -0.18 1.01 -1.26 -4.92 121.20 117.18 2mev s ILE 56 Ca 0.47 1.53 -0.12 0.00 0.00 0.00 0.00 60.65 62.53 2mev s ILE 56 Cb -0.24 -4.36 0.11 0.00 0.01 0.00 0.00 42.46 37.98 2mev s ILE 56 CO 0.83 -0.47 1.86 0.25 0.00 0.00 0.00 174.94 177.41 2mev h LEU 57 N 10.02 0.74 0.00 2.97 6.46 -1.94 -2.40 115.31 131.15 2mev h LEU 57 Ca -0.22 -0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 2mev h LEU 57 Cb 1.07 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.81 2mev h LEU 57 CO 1.00 0.54 0.06 0.00 -0.62 0.00 0.00 178.44 179.42 2mev n ALA 58 N -2.27 0.92 -0.04 1.25 0.00 -1.26 -1.99 120.51 117.11 2mev n ALA 58 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2mev n ALA 58 Cb 0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 18.51 2mev n ALA 58 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2mev n VAL 59 N -1.37 0.59 -2.70 0.00 0.31 -0.92 -4.41 118.33 109.84 2mev n VAL 59 Ca 0.00 -0.44 -0.43 0.00 -0.01 0.00 0.00 64.34 63.46 2mev n VAL 59 Cb 0.06 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 2mev n VAL 59 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2mev n GLU 60 N -2.30 3.72 -3.70 5.55 1.02 -0.84 -4.57 120.64 119.51 2mev n GLU 60 Ca -0.15 -3.88 -0.13 0.00 -0.02 0.00 0.00 57.16 52.98 2mev n GLU 60 Cb 0.74 -2.84 -0.03 0.00 -0.02 0.00 0.00 31.44 29.29 2mev n GLU 60 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2mev n ARG 61 N 3.71 0.64 -3.55 3.49 1.85 -1.26 -3.96 116.66 117.59 2mev n ARG 61 Ca 0.35 -2.47 -0.36 0.00 -1.00 0.00 0.00 57.85 54.37 2mev n ARG 61 Cb 0.37 2.40 -0.07 0.00 -1.05 0.00 0.00 32.46 34.12 2mev n ARG 61 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2mev s TYR 62 N -3.15 3.48 -0.31 2.89 1.51 -1.26 -4.14 117.35 116.37 2mev s TYR 62 Ca 0.25 0.61 -0.11 0.00 -1.01 0.00 0.00 57.07 56.81 2mev s TYR 62 Cb -0.01 -2.33 -0.02 0.00 -0.11 0.00 0.00 41.96 39.49 2mev s TYR 62 CO 0.18 0.27 0.19 0.71 -1.11 0.00 0.00 175.55 175.80 2mev s TYR 63 N 0.35 3.20 -0.17 2.71 1.51 0.56 -4.86 117.35 120.64 2mev s TYR 63 Ca 0.17 -0.24 -0.02 0.00 -1.01 0.00 0.00 57.07 55.97 2mev s TYR 63 Cb -0.13 -2.41 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 2mev s TYR 63 CO 0.04 -0.34 -0.10 0.99 -1.11 0.00 0.00 175.55 175.03 2mev s THR 64 N 1.70 3.06 0.28 -0.71 2.01 -1.26 0.10 115.64 120.81 2mev s THR 64 Ca 0.06 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.39 2mev s THR 64 Cb -0.17 -2.33 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2mev s THR 64 CO 0.09 0.49 0.37 0.72 -0.69 0.00 0.00 174.62 175.59 2mev s PHE 65 N 0.92 0.96 0.07 4.92 -0.71 -0.51 -5.00 117.98 118.64 2mev s PHE 65 Ca -0.02 -1.20 -0.13 0.00 -1.04 0.00 0.00 56.93 54.55 2mev s PHE 65 Cb -0.15 -0.19 -0.06 0.00 -1.21 0.00 0.00 43.02 41.41 2mev s PHE 65 CO -0.00 -0.94 0.45 0.21 -1.34 0.00 0.00 175.22 173.59 2mev s LYS 66 N -3.65 3.88 -0.09 1.99 2.20 -1.26 -1.08 119.74 121.73 2mev s LYS 66 Ca 0.31 0.35 -0.07 0.00 -0.36 0.00 0.00 55.97 56.20 2mev s LYS 66 Cb 0.02 -3.05 -0.02 0.00 -1.51 0.00 0.00 37.83 33.26 2mev s LYS 66 CO 0.16 0.58 -0.14 0.28 -0.36 0.00 0.00 175.35 175.87 2mev n VAL 67 N 1.17 0.79 -2.60 4.02 0.31 0.46 -4.89 118.33 117.59 2mev n VAL 67 Ca -0.09 0.33 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2mev n VAL 67 Cb 0.52 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.47 2mev n VAL 67 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2mev n ASN 68 N -3.55 0.00 -4.20 4.52 2.85 -0.83 -5.01 115.26 109.04 2mev n ASN 68 Ca -0.05 -0.15 -0.31 0.00 -0.11 0.00 0.00 54.58 53.96 2mev n ASN 68 Cb 0.20 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.05 2mev n ASN 68 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2mev s ASP 69 N 1.56 2.86 -0.24 1.20 1.11 -1.26 -0.86 116.67 121.04 2mev s ASP 69 Ca 0.00 -0.50 -0.12 0.00 0.18 0.00 0.00 52.55 52.11 2mev s ASP 69 Cb 0.00 -1.12 -0.05 0.00 1.07 0.00 0.00 42.92 42.82 2mev s ASP 69 CO 0.00 0.17 0.23 0.86 1.18 0.00 0.00 175.17 177.61 2mev s TRP 70 N 0.21 3.32 0.30 4.23 -0.00 0.89 -4.94 118.94 122.95 2mev s TRP 70 Ca -0.13 0.32 0.04 0.00 -0.00 0.00 0.00 56.10 56.33 2mev s TRP 70 Cb -0.16 -2.35 -0.06 0.00 -0.00 0.00 0.00 33.47 30.90 2mev s TRP 70 CO 0.06 0.02 0.04 -0.08 -0.00 0.00 0.00 176.95 176.99 2mev s THR 71 N 1.21 1.16 0.63 5.86 -1.32 -1.26 -1.05 115.64 120.87 2mev s THR 71 Ca 0.10 -2.02 0.33 0.00 -1.21 0.00 0.00 61.69 58.89 2mev s THR 71 Cb -0.14 -2.67 0.37 0.00 -1.51 0.00 0.00 72.50 68.54 2mev s THR 71 CO 0.06 -0.09 2.12 -1.28 -2.21 0.00 0.00 174.62 173.22 2mev h SER 72 N 2.21 0.00 1.59 8.08 0.87 -1.79 -2.70 113.55 121.82 2mev h SER 72 Ca -0.40 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.09 2mev h SER 72 Cb 1.24 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2mev h SER 72 CO 0.68 0.00 -0.42 0.74 -0.53 0.00 0.00 176.83 177.30 2mev h THR 73 N 0.00 0.53 -3.96 2.23 2.02 -1.95 -3.43 112.91 108.35 2mev h THR 73 Ca 0.05 -1.77 -0.54 0.00 0.77 0.00 0.00 66.41 64.92 2mev h THR 73 Cb 0.44 2.23 0.11 0.00 -1.74 0.00 0.00 68.15 69.18 2mev h THR 73 CO -0.00 0.30 0.71 -1.10 0.37 0.00 0.00 175.52 175.80 2mev s GLN 74 N -3.05 3.91 0.34 6.66 1.11 -1.02 -5.01 119.66 122.61 2mev s GLN 74 Ca 0.04 2.41 0.07 0.00 0.01 0.00 0.00 55.36 57.89 2mev s GLN 74 Cb 0.07 -2.80 -0.01 0.00 -1.01 0.00 0.00 33.01 29.26 2mev s GLN 74 CO 0.73 -0.63 0.48 0.15 0.01 0.00 0.00 175.29 176.02 2mev s LYS 75 N -2.26 3.08 0.34 2.91 3.01 -1.26 -4.71 119.74 120.86 2mev s LYS 75 Ca 0.57 -1.04 -0.29 0.00 -1.01 0.00 0.00 55.97 54.20 2mev s LYS 75 Cb -0.43 -2.81 -0.11 0.00 -1.01 0.00 0.00 37.83 33.47 2mev s LYS 75 CO 0.57 0.03 1.53 -2.30 0.51 0.00 0.00 175.35 175.68 2mev n PRO 76 N -1.66 2.67 -1.01 -1.68 -0.02 -1.26 -2.49 135.00 129.54 2mev n PRO 76 Ca 0.01 0.94 -0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2mev n PRO 76 Cb 0.58 -2.69 -0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2mev n PRO 76 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2mev n PHE 77 N 1.10 0.00 -2.83 6.00 3.72 0.23 -4.98 117.46 120.71 2mev n PHE 77 Ca 0.04 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.06 2mev n PHE 77 Cb 0.38 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 38.14 2mev n PHE 77 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2mev s GLU 78 N -0.80 4.61 0.27 -1.08 2.02 -1.04 -4.78 118.70 117.91 2mev s GLU 78 Ca 0.00 1.30 0.03 0.00 0.02 0.00 0.00 54.97 56.32 2mev s GLU 78 Cb 0.00 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 2mev s GLU 78 CO 0.00 0.38 0.23 1.52 0.02 0.00 0.00 175.26 177.41 2mev s TYR 79 N -1.45 1.45 -0.05 1.61 1.13 -0.02 -1.32 117.35 118.70 2mev s TYR 79 Ca 0.46 -1.51 0.02 0.00 -1.41 0.00 0.00 57.07 54.63 2mev s TYR 79 Cb -0.21 -0.60 0.02 0.00 -1.10 0.00 0.00 41.96 40.07 2mev s TYR 79 CO 0.26 -0.79 -0.08 0.42 -2.51 0.00 0.00 175.55 172.85 2mev s ILE 80 N -3.74 0.79 -0.08 -3.49 1.01 -0.13 -2.29 121.20 113.27 2mev s ILE 80 Ca 0.39 -0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 2mev s ILE 80 Cb 0.04 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.72 2mev s ILE 80 CO 0.20 0.28 0.00 -0.13 0.00 0.00 0.00 174.94 175.29 2mev s ARG 81 N 0.73 2.97 -0.46 2.79 0.52 -1.26 -1.34 118.95 122.89 2mev s ARG 81 Ca -0.12 -0.43 0.03 0.00 -0.52 0.00 0.00 55.73 54.70 2mev s ARG 81 Cb -0.14 -2.78 0.13 0.00 0.52 0.00 0.00 34.95 32.67 2mev s ARG 81 CO 0.02 0.70 0.22 0.42 0.02 0.00 0.00 175.30 176.67 2mev s ILE 82 N -0.91 2.16 0.27 1.52 1.01 0.32 -1.30 121.20 124.27 2mev s ILE 82 Ca 0.14 -2.90 -0.29 0.00 0.00 0.00 0.00 60.65 57.60 2mev s ILE 82 Cb -0.11 -2.52 -0.10 0.00 0.01 0.00 0.00 42.46 39.74 2mev s ILE 82 CO 0.03 -0.79 1.37 -2.84 0.00 0.00 0.00 174.94 172.71 2mev s PRO 83 N 0.13 4.32 0.05 2.79 0.02 -1.26 -1.52 135.00 139.52 2mev s PRO 83 Ca 0.16 2.24 0.07 0.00 0.02 0.00 0.00 61.00 63.48 2mev s PRO 83 Cb -0.24 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2mev s PRO 83 CO -0.02 -0.31 -0.16 -0.51 -0.33 0.00 0.00 177.00 175.67 2mev s LEU 84 N -0.90 2.74 0.00 -5.54 1.43 -0.45 -1.69 118.68 114.28 2mev s LEU 84 Ca 0.55 -0.40 0.30 0.00 -1.03 0.00 0.00 54.13 53.55 2mev s LEU 84 Cb -0.40 -1.60 1.38 0.00 0.03 0.00 0.00 46.19 45.60 2mev s LEU 84 CO 0.46 0.24 1.96 -0.81 0.23 0.00 0.00 176.35 178.44 2mev n PRO 85 N 1.37 0.51 -0.34 1.29 -0.04 -1.26 -3.44 135.00 133.09 2mev n PRO 85 Ca -0.16 -0.09 0.08 0.00 -0.04 0.00 0.00 63.50 63.30 2mev n PRO 85 Cb 0.52 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.67 2mev n PRO 85 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2mev h HIS 86 N 0.21 -0.34 -0.69 0.54 3.86 -1.88 -1.21 115.15 115.64 2mev h HIS 86 Ca 0.00 0.08 0.19 0.00 -1.16 0.00 0.00 60.37 59.48 2mev h HIS 86 Cb 0.32 0.30 -0.03 0.00 1.06 0.00 0.00 27.41 29.06 2mev h HIS 86 CO 0.00 -0.41 0.49 0.28 0.86 0.00 0.00 177.93 179.15 2mev h VAL 87 N 0.01 0.68 -0.67 2.45 2.07 -1.57 -1.26 116.25 117.96 2mev h VAL 87 Ca 0.50 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.99 2mev h VAL 87 Cb 0.87 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2mev h VAL 87 CO -0.95 0.01 0.00 0.18 0.02 0.00 0.00 177.57 176.83 2mev n LEU 88 N -4.37 4.40 -0.12 2.57 4.32 -0.46 -4.50 117.00 118.84 2mev n LEU 88 Ca 0.14 -2.26 0.13 0.00 -0.02 0.00 0.00 56.01 53.99 2mev n LEU 88 Cb 0.71 -0.54 0.36 0.00 -1.62 0.00 0.00 43.42 42.33 2mev n LEU 88 CO 0.37 0.88 0.61 -1.54 -1.22 0.00 0.00 177.39 176.49 2mev n SER 89 N 1.31 0.71 -0.18 -1.43 3.41 -0.48 -3.53 113.62 113.42 2mev n SER 89 Ca 0.25 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.32 2mev n SER 89 Cb 0.77 0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 2mev n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2mev n GLY 90 N 1.40 1.78 0.14 5.00 0.00 -1.26 -4.71 105.19 107.54 2mev n GLY 90 Ca 0.10 -1.77 -0.11 0.00 0.00 0.00 0.00 46.02 44.23 2mev n GLY 90 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2mev h GLU 91 N 0.00 0.30 0.00 1.61 4.81 -1.93 -2.98 114.58 116.39 2mev h GLU 91 Ca 0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 2mev h GLU 91 Cb 0.00 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2mev h GLU 91 CO 0.00 1.04 0.00 -0.25 -0.73 0.00 0.00 179.01 179.07 2mev n ASP 92 N -3.69 0.00 -0.55 1.04 10.43 -1.26 -2.83 116.55 119.70 2mev n ASP 92 Ca -0.05 -0.10 0.13 0.00 2.57 0.00 0.00 54.79 57.34 2mev n ASP 92 Cb 0.83 -0.22 0.45 0.00 1.84 0.00 0.00 41.12 44.03 2mev n ASP 92 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2mev n GLY 93 N 0.19 0.18 7.00 0.44 0.00 -1.13 -4.94 105.19 106.93 2mev n GLY 93 Ca 0.10 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2mev n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2mev n GLY 94 N 1.18 2.42 0.26 -0.02 0.00 -1.13 -0.90 105.19 107.02 2mev n GLY 94 Ca 0.18 -0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.14 2mev n GLY 94 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2mev h VAL 95 N 0.00 0.00 0.71 1.61 2.07 -1.93 -2.15 116.25 116.56 2mev h VAL 95 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 2mev h VAL 95 Cb 0.00 1.41 0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2mev h VAL 95 CO 0.00 0.00 -0.34 0.15 0.02 0.00 0.00 177.57 177.40 2mev h PHE 96 N 0.00 -0.89 -0.36 1.57 3.57 -1.29 0.43 116.94 119.97 2mev h PHE 96 Ca 0.00 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.55 2mev h PHE 96 Cb 0.46 0.29 -0.07 0.00 2.79 0.00 0.00 35.95 39.42 2mev h PHE 96 CO 0.00 -0.53 -0.12 0.78 -2.23 0.00 0.00 178.31 176.21 2mev h GLY 97 N -1.09 0.20 0.75 2.40 0.00 -0.76 0.23 103.07 104.80 2mev h GLY 97 Ca -0.10 0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.44 2mev h GLY 97 CO 0.16 -0.16 0.44 0.00 0.00 0.00 0.00 176.54 176.98 2mev h ALA 98 N 1.28 0.98 -0.22 3.60 0.00 -1.30 0.30 119.26 123.90 2mev h ALA 98 Ca 0.18 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.93 2mev h ALA 98 Cb 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2mev h ALA 98 CO -0.40 0.17 -0.48 1.15 0.00 0.00 0.00 179.25 179.70 2mev h THR 99 N 0.82 1.31 -0.44 0.00 2.02 -0.25 -3.26 112.91 113.12 2mev h THR 99 Ca 0.31 -1.69 0.04 0.00 0.77 0.00 0.00 66.41 65.84 2mev h THR 99 Cb 0.13 1.82 -0.04 0.00 -1.74 0.00 0.00 68.15 68.32 2mev h THR 99 CO -0.15 0.53 0.22 0.25 0.37 0.00 0.00 175.52 176.74 2mev h LEU 100 N 0.42 0.32 -1.52 2.58 5.85 0.01 -1.43 115.31 121.54 2mev h LEU 100 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2mev h LEU 100 Cb 1.08 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2mev h LEU 100 CO 0.10 0.23 0.00 0.03 -0.34 0.00 0.00 178.44 178.46 2mev h ARG 101 N 0.44 0.00 -0.48 1.25 3.08 -0.47 -2.54 114.38 115.67 2mev h ARG 101 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2mev h ARG 101 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2mev h ARG 101 CO -0.14 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.30 2mev n ARG 102 N -2.57 2.53 -4.56 0.04 1.74 -0.56 -1.82 116.66 111.47 2mev n ARG 102 Ca -0.00 -2.28 -0.30 0.00 -0.77 0.00 0.00 57.85 54.50 2mev n ARG 102 Cb 0.15 -1.45 -0.13 0.00 -1.02 0.00 0.00 32.46 30.01 2mev n ARG 102 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2mev s HIS 103 N -1.15 2.39 0.05 -1.55 3.76 -0.96 -0.97 115.29 116.87 2mev s HIS 103 Ca 0.37 -0.35 -0.18 0.00 -0.15 0.00 0.00 55.06 54.75 2mev s HIS 103 Cb 0.20 -1.34 -0.15 0.00 1.11 0.00 0.00 32.58 32.40 2mev s HIS 103 CO 0.27 0.28 1.30 -0.92 -0.85 0.00 0.00 174.74 174.82 2mev h TYR 104 N 4.20 0.65 -4.39 1.40 3.20 0.55 -3.46 116.97 119.13 2mev h TYR 104 Ca -0.49 -0.24 -0.66 0.00 3.14 0.00 0.00 58.73 60.48 2mev h TYR 104 Cb 1.16 -0.12 -0.28 0.00 1.54 0.00 0.00 36.73 39.03 2mev h TYR 104 CO 0.56 0.97 -0.87 -0.51 -1.64 0.00 0.00 178.16 176.67 2mev s LEU 105 N -8.82 2.11 0.00 2.82 1.43 -0.35 -4.09 118.68 111.80 2mev s LEU 105 Ca -0.13 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 2mev s LEU 105 Cb 0.06 -1.20 -0.01 0.00 0.03 0.00 0.00 46.19 45.07 2mev s LEU 105 CO 0.81 0.26 -0.04 0.54 0.23 0.00 0.00 176.35 178.14 2mev s VAL 106 N -0.69 0.31 -0.22 -1.59 0.11 -0.46 -1.52 120.40 116.34 2mev s VAL 106 Ca 0.10 -0.32 -0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2mev s VAL 106 Cb -0.09 -0.30 0.06 0.00 -1.53 0.00 0.00 36.38 34.52 2mev s VAL 106 CO 0.01 -0.01 -0.03 -0.75 -3.33 0.00 0.00 175.10 170.98 2mev s LYS 107 N -0.36 1.38 0.16 1.54 2.20 -0.84 -2.41 119.74 121.41 2mev s LYS 107 Ca -0.01 -0.81 -0.10 0.00 -0.36 0.00 0.00 55.97 54.69 2mev s LYS 107 Cb -0.03 -2.43 -0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2mev s LYS 107 CO -0.00 -0.59 0.30 -0.08 -0.36 0.00 0.00 175.35 174.61 2mev s THR 108 N 1.53 0.07 0.46 3.43 -1.32 -1.26 -1.06 115.64 117.48 2mev s THR 108 Ca -0.04 -1.31 0.06 0.00 -1.21 0.00 0.00 61.69 59.20 2mev s THR 108 Cb -0.18 -1.76 -0.02 0.00 -1.51 0.00 0.00 72.50 69.02 2mev s THR 108 CO -0.07 -0.31 0.27 -0.83 -2.21 0.00 0.00 174.62 171.46 2mev s GLY 109 N -2.95 2.36 0.02 6.08 0.00 -0.87 -4.29 107.32 107.66 2mev s GLY 109 Ca 0.15 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.18 2mev s GLY 109 CO -0.01 -1.90 -0.10 -0.98 0.00 0.00 0.00 173.10 170.11 2mev s TRP 110 N -2.64 0.88 -0.18 1.90 0.52 -0.69 -0.44 118.94 118.29 2mev s TRP 110 Ca 0.38 -0.27 -0.01 0.00 0.02 0.00 0.00 56.10 56.22 2mev s TRP 110 Cb 0.01 -0.54 0.05 0.00 -1.15 0.00 0.00 33.47 31.84 2mev s TRP 110 CO 0.22 -0.01 -0.01 0.50 0.02 0.00 0.00 176.95 177.67 2mev s ARG 111 N -0.73 1.05 0.19 4.98 3.52 -0.60 -0.46 118.95 126.91 2mev s ARG 111 Ca 0.00 -0.47 0.10 0.00 -0.13 0.00 0.00 55.73 55.24 2mev s ARG 111 Cb -0.06 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.28 2mev s ARG 111 CO 0.00 -0.52 -0.18 0.08 -0.81 0.00 0.00 175.30 173.87 2mev s VAL 112 N 1.73 2.70 -0.07 7.11 1.01 -0.17 -1.24 120.40 131.47 2mev s VAL 112 Ca -0.00 -1.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.04 2mev s VAL 112 Cb -0.16 -2.32 0.03 0.00 0.00 0.00 0.00 36.38 33.93 2mev s VAL 112 CO -0.07 -0.14 0.04 -1.58 0.00 0.00 0.00 175.10 173.35 2mev s GLN 113 N -2.80 0.19 -0.03 2.72 0.74 -0.61 -1.91 119.66 117.96 2mev s GLN 113 Ca 0.23 0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.87 2mev s GLN 113 Cb -0.08 -0.87 -0.03 0.00 1.10 0.00 0.00 33.01 33.13 2mev s GLN 113 CO 0.12 -0.37 -0.06 0.14 -0.55 0.00 0.00 175.29 174.57 2mev s VAL 114 N 2.09 3.70 0.01 1.34 -7.23 -0.43 -1.08 120.40 118.80 2mev s VAL 114 Ca 0.04 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 59.65 2mev s VAL 114 Cb -0.13 -2.57 -0.03 0.00 0.56 0.00 0.00 36.38 34.22 2mev s VAL 114 CO -0.05 0.47 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.88 2mev s GLN 115 N -1.18 2.05 -0.30 4.82 1.11 0.61 -1.86 119.66 124.91 2mev s GLN 115 Ca 0.15 -0.97 -0.13 0.00 0.01 0.00 0.00 55.36 54.43 2mev s GLN 115 Cb -0.11 -2.08 0.17 0.00 -1.01 0.00 0.00 33.01 29.98 2mev s GLN 115 CO 0.05 0.55 0.97 0.00 0.01 0.00 0.00 175.29 176.87 2mev s ASN 117 N 2.65 4.98 0.00 0.00 4.22 -1.26 -4.50 114.94 121.03 2mev s ASN 117 Ca 0.00 -0.38 0.00 0.00 -2.14 0.00 0.00 52.86 50.35 2mev s ASN 117 Cb -0.08 -1.12 0.00 0.00 1.28 0.00 0.00 41.25 41.33 2mev s ASN 117 CO -0.16 0.04 0.00 0.00 -2.04 0.00 0.00 177.10 174.95 2mev n ALA 118 N -0.52 0.00 -3.83 3.54 0.00 -1.26 -4.79 120.51 113.66 2mev n ALA 118 Ca -0.08 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.28 2mev n ALA 118 Cb 0.56 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.02 2mev n ALA 118 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2mev s SER 119 N 1.23 -0.07 0.00 0.00 1.04 -1.26 -5.01 113.70 109.63 2mev s SER 119 Ca 0.00 -0.93 0.21 0.00 0.48 0.00 0.00 55.95 55.71 2mev s SER 119 Cb 0.00 0.77 1.13 0.00 0.10 0.00 0.00 66.02 68.02 2mev s SER 119 CO 0.00 -1.50 1.64 0.00 0.98 0.00 0.00 173.24 174.37 2mev n GLN 120 N -0.53 0.46 -0.20 4.02 6.02 -1.26 -2.61 117.38 123.28 2mev n GLN 120 Ca -0.07 0.05 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2mev n GLN 120 Cb 0.60 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.56 2mev n GLN 120 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2mev n PHE 121 N -1.16 0.53 -3.96 1.08 3.01 -1.26 -4.95 117.46 110.76 2mev n PHE 121 Ca 0.12 -0.33 -0.29 0.00 1.01 0.00 0.00 57.45 57.96 2mev n PHE 121 Cb 0.12 -0.01 -0.04 0.00 -0.01 0.00 0.00 39.48 39.54 2mev n PHE 121 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 2mev s HIS 122 N -1.20 3.44 -0.01 1.38 3.76 -1.07 -4.45 115.29 117.14 2mev s HIS 122 Ca 0.34 0.17 0.04 0.00 -0.15 0.00 0.00 55.06 55.46 2mev s HIS 122 Cb 0.19 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.17 2mev s HIS 122 CO 0.26 0.56 -0.14 0.00 -0.85 0.00 0.00 174.74 174.57 2mev s ALA 123 N -1.57 1.13 0.00 -1.40 0.00 -0.32 -4.64 121.76 114.96 2mev s ALA 123 Ca 0.34 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.72 2mev s ALA 123 Cb -0.12 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2mev s ALA 123 CO 0.27 0.27 0.00 0.41 0.00 0.00 0.00 175.76 176.71 2mev n GLY 124 N 2.78 2.89 3.44 0.00 0.00 -1.26 -1.05 105.19 112.00 2mev n GLY 124 Ca -0.14 -1.26 -0.14 0.00 0.00 0.00 0.00 46.02 44.48 2mev n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2mev s SER 125 N 0.00 -0.56 0.28 1.61 0.15 0.08 -1.80 113.70 113.46 2mev s SER 125 Ca 0.00 1.03 0.07 0.00 0.70 0.00 0.00 55.95 57.75 2mev s SER 125 Cb 0.00 1.04 -0.03 0.00 -1.71 0.00 0.00 66.02 65.32 2mev s SER 125 CO 0.00 -0.23 0.22 -0.76 1.20 0.00 0.00 173.24 173.67 2mev s LEU 126 N 0.12 3.74 -0.19 3.45 1.43 0.26 -1.41 118.68 126.09 2mev s LEU 126 Ca -0.01 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.77 2mev s LEU 126 Cb -0.04 -2.30 0.02 0.00 0.03 0.00 0.00 46.19 43.91 2mev s LEU 126 CO 0.02 -0.13 -0.19 -0.22 0.23 0.00 0.00 176.35 176.05 2mev s LEU 127 N -3.88 2.22 -0.19 1.79 2.96 0.92 -1.12 118.68 121.36 2mev s LEU 127 Ca 0.35 -0.70 -0.03 0.00 -0.22 0.00 0.00 54.13 53.53 2mev s LEU 127 Cb -0.07 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.13 2mev s LEU 127 CO 0.25 -0.02 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.52 2mev s VAL 128 N 1.28 3.41 0.13 1.68 1.01 -0.41 -1.71 120.40 125.79 2mev s VAL 128 Ca 0.04 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2mev s VAL 128 Cb -0.14 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 2mev s VAL 128 CO -0.12 0.46 0.05 0.72 0.00 0.00 0.00 175.10 176.20 2mev s PHE 129 N 1.01 0.89 -0.06 5.22 -0.12 -0.36 -1.80 117.98 122.77 2mev s PHE 129 Ca 0.00 -1.21 0.05 0.00 -0.05 0.00 0.00 56.93 55.73 2mev s PHE 129 Cb -0.15 -0.50 -0.01 0.00 -0.63 0.00 0.00 43.02 41.73 2mev s PHE 129 CO 0.00 -0.48 -0.23 1.41 -0.05 0.00 0.00 175.22 175.87 2mev s MET 130 N -4.03 2.39 -0.02 1.99 1.75 -0.38 -0.78 119.30 120.22 2mev s MET 130 Ca 0.24 -0.81 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 2mev s MET 130 Cb 0.07 -2.00 0.02 0.00 2.84 0.00 0.00 34.83 35.76 2mev s MET 130 CO 0.02 0.31 -0.00 0.00 -0.65 0.00 0.00 175.02 174.70 2mev s ALA 131 N -0.03 0.20 0.23 4.11 0.00 -0.39 -3.85 121.76 122.03 2mev s ALA 131 Ca -0.06 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2mev s ALA 131 Cb -0.14 -0.20 -0.09 0.00 0.00 0.00 0.00 23.12 22.70 2mev s ALA 131 CO 0.04 -0.04 1.00 -1.25 0.00 0.00 0.00 175.76 175.52 2mev s PRO 132 N 0.64 4.75 -1.57 0.00 0.04 -1.26 -1.38 135.00 136.22 2mev s PRO 132 Ca -0.06 1.60 -0.03 0.00 0.04 0.00 0.00 61.00 62.55 2mev s PRO 132 Cb -0.09 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.20 2mev s PRO 132 CO -0.01 0.35 0.36 0.39 0.04 0.00 0.00 177.00 178.12 2mev n GLU 133 N 1.67 -3.54 -2.42 4.56 -0.58 0.63 -4.95 120.64 116.02 2mev n GLU 133 Ca -0.01 0.88 -0.40 0.00 -0.42 0.00 0.00 57.16 57.21 2mev n GLU 133 Cb 0.47 -5.65 -0.04 0.00 -0.57 0.00 0.00 31.44 25.65 2mev n GLU 133 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 2mev s TYR 134 N -3.07 3.47 -0.20 -0.32 6.14 -1.23 -4.95 117.35 117.19 2mev s TYR 134 Ca 0.19 1.65 -0.29 0.00 0.64 0.00 0.00 57.07 59.26 2mev s TYR 134 Cb -0.09 -3.34 -0.01 0.00 0.42 0.00 0.00 41.96 38.94 2mev s TYR 134 CO 0.24 -0.77 1.34 -1.25 0.64 0.00 0.00 175.55 175.75 2mev s PRO 135 N -1.58 4.10 0.20 4.97 0.04 -1.26 -4.86 135.00 136.61 2mev s PRO 135 Ca 0.46 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.10 2mev s PRO 135 Cb -0.33 -3.84 0.01 0.00 0.04 0.00 0.00 34.50 30.39 2mev s PRO 135 CO 0.42 -0.89 0.12 0.25 0.04 0.00 0.00 177.00 176.94 2mev n THR 136 N 5.71 0.00 -2.18 1.26 -2.24 -1.26 -5.10 114.28 110.47 2mev n THR 136 Ca 0.15 -0.82 -0.35 0.00 -2.27 0.00 0.00 64.05 60.76 2mev n THR 136 Cb 0.45 -0.23 0.01 0.00 -2.10 0.00 0.00 70.33 68.47 2mev n THR 136 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2mev s LEU 137 N 0.00 3.72 0.36 3.22 1.02 -1.26 -4.90 118.68 120.83 2mev s LEU 137 Ca 0.09 2.22 0.17 0.00 0.02 0.00 0.00 54.13 56.62 2mev s LEU 137 Cb -0.01 -4.58 1.10 0.00 0.02 0.00 0.00 46.19 42.72 2mev s LEU 137 CO 0.06 -1.32 1.69 -0.78 0.02 0.00 0.00 176.35 176.02 2mev h ASP 138 N 1.08 0.49 -0.57 2.29 3.58 -1.99 0.81 116.42 122.11 2mev h ASP 138 Ca -0.50 0.15 0.00 0.00 0.42 0.00 0.00 57.03 57.10 2mev h ASP 138 Cb 1.27 0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.41 2mev h ASP 138 CO 0.56 -0.06 0.00 0.55 -2.88 0.00 0.00 179.24 177.42 2mev n VAL 139 N -4.89 0.75 -3.87 2.25 3.14 -1.26 -4.99 118.33 109.47 2mev n VAL 139 Ca 0.30 -0.83 -0.24 0.00 -2.96 0.00 0.00 64.34 60.61 2mev n VAL 139 Cb 0.98 0.60 -0.00 0.00 -1.06 0.00 0.00 33.84 34.37 2mev n VAL 139 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 2mev n PHE 140 N 1.43 -1.76 -4.13 1.45 0.99 0.28 -4.99 117.46 110.72 2mev n PHE 140 Ca 0.21 0.79 -0.23 0.00 -0.00 0.00 0.00 57.45 58.22 2mev n PHE 140 Cb 0.57 -3.97 -0.06 0.00 -1.00 0.00 0.00 39.48 35.02 2mev n PHE 140 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2mev s ALA 141 N -3.82 3.45 0.36 4.37 0.00 -1.26 -4.57 121.76 120.29 2mev s ALA 141 Ca 0.04 -1.74 -0.27 0.00 0.00 0.00 0.00 51.96 49.98 2mev s ALA 141 Cb -0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 23.12 22.19 2mev s ALA 141 CO 0.86 0.10 1.26 1.41 0.00 0.00 0.00 175.76 179.39 2mev s MET 142 N -3.81 4.23 0.37 0.00 1.75 -1.26 -4.54 119.30 116.04 2mev s MET 142 Ca 0.36 2.08 -0.27 0.00 -1.25 0.00 0.00 55.69 56.61 2mev s MET 142 Cb -0.04 -2.93 -0.10 0.00 2.84 0.00 0.00 34.83 34.61 2mev s MET 142 CO 0.22 -0.25 1.32 -0.51 -0.65 0.00 0.00 175.02 175.16 2mev s ASP 143 N -0.72 6.50 0.11 1.11 -0.00 -0.42 -4.93 116.67 118.31 2mev s ASP 143 Ca 0.52 2.71 -0.05 0.00 -0.00 0.00 0.00 52.55 55.73 2mev s ASP 143 Cb -0.37 -2.65 -0.15 0.00 -0.00 0.00 0.00 42.92 39.76 2mev s ASP 143 CO 0.48 -0.73 1.26 -1.13 -0.00 0.00 0.00 175.17 175.05 2mev h ASN 144 N 2.99 0.53 -5.14 0.27 -0.00 -1.92 -3.45 115.58 108.86 2mev h ASN 144 Ca -0.49 -0.46 -0.08 0.00 -0.00 0.00 0.00 56.30 55.27 2mev h ASN 144 Cb 1.24 -0.16 -0.14 0.00 -0.00 0.00 0.00 38.32 39.26 2mev h ASN 144 CO 0.64 1.28 -0.30 0.00 -0.00 0.00 0.00 177.43 179.04 2mev s ARG 145 N -3.11 0.91 0.40 6.67 1.70 -1.26 -5.09 118.95 119.17 2mev s ARG 145 Ca -0.06 -0.91 -0.26 0.00 -0.47 0.00 0.00 55.73 54.04 2mev s ARG 145 Cb 0.08 0.37 -0.08 0.00 -0.57 0.00 0.00 34.95 34.75 2mev s ARG 145 CO 0.87 -0.31 1.23 -1.58 -1.08 0.00 0.00 175.30 174.44 2mev s TRP 146 N -3.85 2.95 0.13 5.89 0.52 -1.26 -4.79 118.94 118.53 2mev s TRP 146 Ca 0.05 1.49 -0.12 0.00 0.02 0.00 0.00 56.10 57.54 2mev s TRP 146 Cb 0.04 -3.52 0.01 0.00 -1.15 0.00 0.00 33.47 28.85 2mev s TRP 146 CO -0.11 -1.68 0.31 -1.54 0.02 0.00 0.00 176.95 173.95 2mev s SER 147 N -0.94 -0.04 -0.08 2.95 1.04 -0.97 -4.89 113.70 110.77 2mev s SER 147 Ca 0.57 -0.60 0.12 0.00 0.48 0.00 0.00 55.95 56.52 2mev s SER 147 Cb -0.34 0.43 0.18 0.00 0.10 0.00 0.00 66.02 66.38 2mev s SER 147 CO 0.43 -0.84 1.08 1.17 0.98 0.00 0.00 173.24 176.07 2mev n LYS 148 N -0.18 1.77 -1.68 4.02 4.81 -1.26 -0.84 118.16 124.80 2mev n LYS 148 Ca -0.13 -2.13 -0.51 0.00 -0.87 0.00 0.00 58.31 54.67 2mev n LYS 148 Cb 0.63 -1.28 -0.06 0.00 0.02 0.00 0.00 35.03 34.34 2mev n LYS 148 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2mev n ASP 149 N -1.05 2.93 -2.07 3.14 9.92 -1.26 -2.69 116.55 125.48 2mev n ASP 149 Ca 0.10 1.03 -0.18 0.00 -0.53 0.00 0.00 54.79 55.21 2mev n ASP 149 Cb 0.51 -1.29 -0.01 0.00 -0.64 0.00 0.00 41.12 39.69 2mev n ASP 149 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2mev n ASN 150 N 5.56 -5.30 -4.85 -2.24 4.13 -1.26 -5.03 115.26 106.27 2mev n ASN 150 Ca 0.23 -0.01 -0.37 0.00 1.68 0.00 0.00 54.58 56.12 2mev n ASN 150 Cb 0.23 -4.37 -0.07 0.00 -1.54 0.00 0.00 39.78 34.04 2mev n ASN 150 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2mev s LEU 151 N -5.23 4.30 0.00 3.41 1.43 -1.09 -2.02 118.68 119.48 2mev s LEU 151 Ca 0.00 0.41 0.15 0.00 -1.03 0.00 0.00 54.13 53.66 2mev s LEU 151 Cb 0.00 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2mev s LEU 151 CO 0.00 0.38 0.82 -0.81 0.23 0.00 0.00 176.35 176.97 2mev n PRO 152 N 2.19 1.71 -0.11 1.29 -0.04 -1.26 -4.87 135.00 133.90 2mev n PRO 152 Ca -0.19 -0.82 0.10 0.00 -0.04 0.00 0.00 63.50 62.54 2mev n PRO 152 Cb 0.55 -1.24 0.32 0.00 -0.04 0.00 0.00 33.50 33.09 2mev n PRO 152 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2mev n ASN 153 N -0.06 2.02 0.00 3.54 3.02 -1.25 -1.30 115.26 121.23 2mev n ASN 153 Ca 0.06 -1.80 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 2mev n ASN 153 Cb 0.32 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.34 2mev n ASN 153 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2mev n GLY 154 N 1.19 -3.05 3.40 7.41 0.00 -0.86 -0.99 105.19 112.30 2mev n GLY 154 Ca 0.16 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.99 2mev n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2mev s THR 155 N -0.92 4.90 0.34 2.61 2.01 -1.26 -4.72 115.64 118.60 2mev s THR 155 Ca 0.00 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.20 2mev s THR 155 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 2mev s THR 155 CO 0.00 -0.34 0.27 0.00 -0.69 0.00 0.00 174.62 173.86 2mev s ARG 156 N 1.60 2.64 0.40 4.92 1.70 -1.26 -4.78 118.95 124.17 2mev s ARG 156 Ca 0.03 -1.36 -0.27 0.00 -0.47 0.00 0.00 55.73 53.66 2mev s ARG 156 Cb -0.20 -2.41 -0.10 0.00 -0.57 0.00 0.00 34.95 31.66 2mev s ARG 156 CO 0.07 0.08 1.45 2.41 -1.08 0.00 0.00 175.30 178.23 2mev n THR 157 N -1.34 2.25 -0.28 4.99 -1.04 -1.26 -4.92 114.28 112.68 2mev n THR 157 Ca -0.02 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.47 2mev n THR 157 Cb 0.60 -1.89 0.01 0.00 -1.82 0.00 0.00 70.33 67.23 2mev n THR 157 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 2mev n GLN 158 N 0.25 -0.19 0.09 -2.82 -0.06 -1.26 -0.77 117.38 112.62 2mev n GLN 158 Ca 0.03 1.09 -0.08 0.00 -2.00 0.00 0.00 57.00 56.03 2mev n GLN 158 Cb 0.39 -1.61 0.00 0.00 -4.06 0.00 0.00 30.24 24.97 2mev n GLN 158 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2mev h THR 159 N 0.00 1.50 -0.22 1.69 2.02 -2.06 -3.39 112.91 112.44 2mev h THR 159 Ca 0.22 -2.60 -0.25 0.00 0.77 0.00 0.00 66.41 64.55 2mev h THR 159 Cb 0.40 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2mev h THR 159 CO -0.70 0.76 0.78 -3.20 0.37 0.00 0.00 175.52 173.53 2mev n ASN 160 N -3.66 2.12 -0.08 4.18 4.05 0.05 -4.54 115.26 117.38 2mev n ASN 160 Ca -0.03 -2.59 -0.13 0.00 0.45 0.00 0.00 54.58 52.27 2mev n ASN 160 Cb 0.79 -1.56 -0.05 0.00 1.23 0.00 0.00 39.78 40.19 2mev n ASN 160 CO 0.00 0.00 0.00 -0.09 -3.05 0.00 0.00 177.26 174.12 2mev h ARG 161 N 10.37 0.61 -0.11 1.20 9.65 -1.78 -3.32 114.38 131.00 2mev h ARG 161 Ca 0.15 -0.32 0.00 0.00 -1.10 0.00 0.00 59.98 58.72 2mev h ARG 161 Cb 0.92 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.50 2mev h ARG 161 CO 1.28 0.91 0.00 1.63 2.80 0.00 0.00 179.97 186.59 2mev n LYS 162 N -4.35 1.56 -1.70 0.20 4.76 -1.26 -5.01 118.16 112.35 2mev n LYS 162 Ca -0.04 -1.63 -0.44 0.00 -2.87 0.00 0.00 58.31 53.33 2mev n LYS 162 Cb 0.43 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 32.27 2mev n LYS 162 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2mev n GLY 163 N 0.94 1.16 0.32 0.72 0.00 -1.25 -4.90 105.19 102.18 2mev n GLY 163 Ca 0.11 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.62 2mev n GLY 163 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2mev h PRO 164 N 5.20 1.08 -1.76 1.61 0.11 -1.94 -3.48 132.00 132.82 2mev h PRO 164 Ca -0.45 -0.14 0.31 0.00 0.11 0.00 0.00 66.00 65.83 2mev h PRO 164 Cb 1.24 -0.21 -0.10 0.00 0.11 0.00 0.00 31.00 32.05 2mev h PRO 164 CO 0.83 0.82 0.81 -0.59 -0.21 0.00 0.00 178.00 179.66 2mev s PHE 165 N -5.79 -0.02 0.31 0.65 -0.71 -1.26 -5.02 117.98 106.13 2mev s PHE 165 Ca -0.13 -0.12 0.10 0.00 -1.04 0.00 0.00 56.93 55.74 2mev s PHE 165 Cb 0.15 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.48 2mev s PHE 165 CO 0.81 -0.36 -0.09 0.00 -1.34 0.00 0.00 175.22 174.24 2mev s ALA 166 N -2.36 2.99 -1.64 1.99 0.00 -0.16 -4.98 121.76 117.60 2mev s ALA 166 Ca 0.18 -1.91 0.14 0.00 0.00 0.00 0.00 51.96 50.38 2mev s ALA 166 Cb 0.03 -0.34 0.74 0.00 0.00 0.00 0.00 23.12 23.55 2mev s ALA 166 CO -0.02 0.18 1.32 -1.33 0.00 0.00 0.00 175.76 175.91 2mev n MET 167 N -0.80 0.28 -1.05 0.00 0.00 -1.26 -1.97 117.12 112.33 2mev n MET 167 Ca -0.05 0.10 -0.12 0.00 0.00 0.00 0.00 57.70 57.63 2mev n MET 167 Cb 0.61 -1.50 0.25 0.00 0.00 0.00 0.00 33.22 32.58 2mev n MET 167 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 2mev n ASP 168 N -1.18 4.12 -4.76 7.83 3.85 -1.26 -4.94 116.55 120.21 2mev n ASP 168 Ca 0.08 -3.43 -0.35 0.00 -0.71 0.00 0.00 54.79 50.38 2mev n ASP 168 Cb 0.09 -0.76 0.04 0.00 -1.35 0.00 0.00 41.12 39.13 2mev n ASP 168 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2mev s HIS 169 N -3.14 2.45 -0.38 2.11 -3.43 -0.83 -4.24 115.29 107.84 2mev s HIS 169 Ca 0.54 1.55 0.04 0.00 -0.80 0.00 0.00 55.06 56.38 2mev s HIS 169 Cb 0.45 -3.36 0.16 0.00 -1.43 0.00 0.00 32.58 28.40 2mev s HIS 169 CO 0.11 -2.00 0.39 -0.65 -2.00 0.00 0.00 174.74 170.59 2mev s GLN 170 N -3.61 0.66 -1.02 -0.38 -1.52 -0.42 -4.87 119.66 108.51 2mev s GLN 170 Ca 0.73 -0.86 -0.23 0.00 -1.95 0.00 0.00 55.36 53.05 2mev s GLN 170 Cb -0.26 -0.68 -0.02 0.00 -0.22 0.00 0.00 33.01 31.83 2mev s GLN 170 CO 0.36 -1.20 1.80 1.21 -0.25 0.00 0.00 175.29 177.21 2mev s ASN 171 N 1.41 5.61 0.50 5.90 3.84 -1.25 -4.41 114.94 126.55 2mev s ASN 171 Ca 0.17 -1.23 0.26 0.00 0.21 0.00 0.00 52.86 52.27 2mev s ASN 171 Cb -0.15 -2.57 1.42 0.00 -0.55 0.00 0.00 41.25 39.40 2mev s ASN 171 CO -0.03 -2.36 1.77 2.19 -2.79 0.00 0.00 177.10 175.88 2mev h PHE 172 N 10.26 0.00 -0.01 0.43 -0.00 -1.99 -1.36 116.94 124.28 2mev h PHE 172 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 58.15 2mev h PHE 172 Cb 0.98 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 36.93 2mev h PHE 172 CO 1.25 0.00 0.02 -1.49 -0.00 0.00 0.00 178.31 178.09 2mev h TRP 173 N 0.00 0.00 -0.33 6.09 4.06 -2.02 -1.38 115.95 122.37 2mev h TRP 173 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2mev h TRP 173 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 2mev h TRP 173 CO 0.00 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 175.92 2mev n GLN 174 N -3.39 2.92 0.33 0.49 6.02 -0.51 -4.68 117.38 118.56 2mev n GLN 174 Ca -0.03 -2.33 0.16 0.00 -0.01 0.00 0.00 57.00 54.79 2mev n GLN 174 Cb 0.10 -1.48 0.88 0.00 1.02 0.00 0.00 30.24 30.76 2mev n GLN 174 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 2mev h TRP 175 N 2.01 0.00 0.00 1.08 6.55 -1.36 -0.76 115.95 123.47 2mev h TRP 175 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 2mev h TRP 175 Cb 0.99 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.29 2mev h TRP 175 CO 0.33 0.00 0.00 0.25 -1.05 0.00 0.00 178.44 177.97 2mev n THR 176 N -2.90 0.00 0.25 1.49 -2.24 -1.26 -2.48 114.28 107.14 2mev n THR 176 Ca -0.02 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.90 2mev n THR 176 Cb 0.32 -0.50 0.51 0.00 -2.10 0.00 0.00 70.33 68.55 2mev n THR 176 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2mev h LEU 177 N 0.00 0.00-10.06 3.22 3.38 -1.53 -3.44 115.31 106.87 2mev h LEU 177 Ca 0.00 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.51 2mev h LEU 177 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2mev h LEU 177 CO 0.00 0.05 0.27 -0.31 0.09 0.00 0.00 178.44 178.54 2mev s TYR 178 N -3.53 3.34 -0.08 1.13 4.12 -1.04 -4.97 117.35 116.33 2mev s TYR 178 Ca 0.03 1.48 -0.35 0.00 0.02 0.00 0.00 57.07 58.24 2mev s TYR 178 Cb 0.08 -2.75 -0.13 0.00 -1.52 0.00 0.00 41.96 37.65 2mev s TYR 178 CO 0.59 -0.08 1.82 -2.30 0.02 0.00 0.00 175.55 175.61 2mev n PRO 179 N -0.67 2.04 -3.92 -1.71 -0.02 -1.25 -4.84 135.00 124.62 2mev n PRO 179 Ca 0.06 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.15 2mev n PRO 179 Cb 0.54 -2.56 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 2mev n PRO 179 CO 0.00 0.00 0.00 -2.39 1.98 0.00 0.00 175.50 175.09 2mev n HIS 180 N 6.05 -1.66 -3.49 6.00 1.44 -1.26 -1.25 115.22 121.04 2mev n HIS 180 Ca 0.22 -2.24 -0.16 0.00 -2.01 0.00 0.00 57.72 53.54 2mev n HIS 180 Cb 0.27 0.63 -0.05 0.00 0.12 0.00 0.00 29.99 30.97 2mev n HIS 180 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 2mev s GLN 181 N -2.64 1.10 0.02 -1.40 0.74 -0.74 -4.92 119.66 111.81 2mev s GLN 181 Ca 0.26 0.05 -0.06 0.00 0.05 0.00 0.00 55.36 55.66 2mev s GLN 181 Cb -0.02 0.52 -0.05 0.00 1.10 0.00 0.00 33.01 34.56 2mev s GLN 181 CO 0.19 -0.39 0.28 -0.06 -0.55 0.00 0.00 175.29 174.76 2mev s PHE 182 N -1.90 3.57 -0.61 1.67 0.08 -1.26 -1.28 117.98 118.25 2mev s PHE 182 Ca -0.07 0.57 -0.05 0.00 0.12 0.00 0.00 56.93 57.50 2mev s PHE 182 Cb -0.00 -1.99 0.16 0.00 -0.57 0.00 0.00 43.02 40.61 2mev s PHE 182 CO 0.03 0.60 0.44 -1.17 -0.10 0.00 0.00 175.22 175.02 2mev s LEU 183 N -1.80 5.46 -0.32 -0.37 0.20 -0.28 -4.91 118.68 116.67 2mev s LEU 183 Ca 0.28 -2.64 -0.13 0.00 0.69 0.00 0.00 54.13 52.34 2mev s LEU 183 Cb -0.13 -1.91 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 2mev s LEU 183 CO 0.17 -0.45 0.24 0.21 -0.29 0.00 0.00 176.35 176.23 2mev s ASN 184 N 1.20 6.07 0.46 3.68 3.04 -1.26 -0.57 114.94 127.55 2mev s ASN 184 Ca 0.15 -0.23 0.19 0.00 0.04 0.00 0.00 52.86 53.01 2mev s ASN 184 Cb -0.20 -2.14 1.15 0.00 -1.54 0.00 0.00 41.25 38.52 2mev s ASN 184 CO -0.04 -0.18 1.94 -0.07 -3.04 0.00 0.00 177.10 175.71 2mev h LEU 185 N 8.48 0.28 -0.59 3.21 3.38 -1.56 0.13 115.31 128.64 2mev h LEU 185 Ca -0.32 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2mev h LEU 185 Cb 1.17 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2mev h LEU 185 CO 0.61 0.14 0.00 0.08 0.09 0.00 0.00 178.44 179.36 2mev h ARG 186 N 0.30 0.00 0.00 1.13 0.11 -1.82 -3.39 114.38 110.71 2mev h ARG 186 Ca 0.35 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.33 2mev h ARG 186 Cb 0.93 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.00 2mev h ARG 186 CO -0.09 0.00 -1.07 2.41 0.10 0.00 0.00 179.97 181.32 2mev n THR 187 N -2.90 1.29 -4.29 0.08 -1.04 -0.02 -5.09 114.28 102.30 2mev n THR 187 Ca 0.03 0.09 -0.15 0.00 -2.04 0.00 0.00 64.05 61.97 2mev n THR 187 Cb 0.41 -1.99 -0.10 0.00 -1.82 0.00 0.00 70.33 66.83 2mev n THR 187 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2mev s ASN 188 N -6.15 1.19 -0.01 8.00 4.22 0.24 -4.96 114.94 117.47 2mev s ASN 188 Ca -0.21 -1.31 0.07 0.00 -2.14 0.00 0.00 52.86 49.26 2mev s ASN 188 Cb 0.05 0.15 -0.10 0.00 1.28 0.00 0.00 41.25 42.63 2mev s ASN 188 CO 0.29 -0.68 0.18 0.41 -2.04 0.00 0.00 177.10 175.27 2mev n THR 189 N -0.39 0.00 -4.18 0.54 -1.04 -1.25 -4.38 114.28 103.58 2mev n THR 189 Ca -0.02 -0.20 -0.11 0.00 -2.04 0.00 0.00 64.05 61.68 2mev n THR 189 Cb 0.65 0.51 -0.10 0.00 -1.82 0.00 0.00 70.33 69.57 2mev n THR 189 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 2mev s THR 190 N -2.25 0.69 -0.03 12.58 -4.23 -1.26 -0.84 115.64 120.31 2mev s THR 190 Ca -0.01 -1.95 0.01 0.00 -1.18 0.00 0.00 61.69 58.56 2mev s THR 190 Cb 0.04 -1.78 0.01 0.00 1.34 0.00 0.00 72.50 72.12 2mev s THR 190 CO 0.27 -0.78 -0.04 -0.69 -0.54 0.00 0.00 174.62 172.84 2mev s VAL 191 N -3.63 0.45 -0.09 2.29 1.01 -0.78 -4.74 120.40 114.92 2mev s VAL 191 Ca 0.15 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2mev s VAL 191 Cb 0.05 -0.45 0.01 0.00 0.00 0.00 0.00 36.38 36.00 2mev s VAL 191 CO -0.03 0.17 -0.15 -1.81 0.00 0.00 0.00 175.10 173.29 2mev s ASP 192 N 0.50 2.22 0.11 3.32 1.01 -1.26 -1.31 116.67 121.26 2mev s ASP 192 Ca -0.06 -0.38 0.04 0.00 0.71 0.00 0.00 52.55 52.86 2mev s ASP 192 Cb -0.10 -1.00 -0.04 0.00 1.01 0.00 0.00 42.92 42.79 2mev s ASP 192 CO -0.00 0.04 -0.11 -0.76 0.21 0.00 0.00 175.17 174.55 2mev s LEU 193 N 0.80 2.44 -0.13 1.23 1.43 -0.80 -1.27 118.68 122.37 2mev s LEU 193 Ca -0.11 -0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 52.02 2mev s LEU 193 Cb -0.16 -0.35 0.04 0.00 0.03 0.00 0.00 46.19 45.76 2mev s LEU 193 CO 0.02 -0.27 0.33 -0.70 0.23 0.00 0.00 176.35 175.96 2mev s GLU 194 N -3.03 0.36 0.06 1.70 2.12 -0.82 -1.00 118.70 118.10 2mev s GLU 194 Ca 0.09 0.51 0.05 0.00 0.36 0.00 0.00 54.97 55.97 2mev s GLU 194 Cb -0.02 0.12 -0.03 0.00 0.26 0.00 0.00 34.13 34.47 2mev s GLU 194 CO 0.00 -0.07 -0.13 0.14 -0.54 0.00 0.00 175.26 174.66 2mev s VAL 195 N 0.47 1.02 0.22 3.70 -7.23 0.40 -0.10 120.40 118.87 2mev s VAL 195 Ca -0.02 -1.24 -0.02 0.00 -1.81 0.00 0.00 61.98 58.89 2mev s VAL 195 Cb -0.04 -0.99 0.05 0.00 0.56 0.00 0.00 36.38 35.96 2mev s VAL 195 CO -0.02 -0.23 0.30 -0.81 -0.31 0.00 0.00 175.10 174.03 2mev n PRO 196 N 1.37 0.02 -3.13 4.82 -0.04 -1.23 -1.71 135.00 135.11 2mev n PRO 196 Ca -0.21 -0.59 -0.39 0.00 -0.04 0.00 0.00 63.50 62.26 2mev n PRO 196 Cb 0.54 -0.26 -0.05 0.00 -0.04 0.00 0.00 33.50 33.69 2mev n PRO 196 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 2mev s TYR 197 N -1.22 3.57 -0.05 0.54 6.14 -1.26 -4.69 117.35 120.38 2mev s TYR 197 Ca 0.18 1.14 -0.05 0.00 0.64 0.00 0.00 57.07 58.99 2mev s TYR 197 Cb -0.01 -2.72 0.02 0.00 0.42 0.00 0.00 41.96 39.67 2mev s TYR 197 CO 0.12 0.13 0.14 0.54 0.64 0.00 0.00 175.55 177.12 2mev s VAL 198 N 0.69 -0.01 0.06 3.14 0.11 -1.26 -5.04 120.40 118.09 2mev s VAL 198 Ca 0.34 0.02 -0.27 0.00 -2.93 0.00 0.00 61.98 59.14 2mev s VAL 198 Cb -0.17 -0.20 0.09 0.00 -1.53 0.00 0.00 36.38 34.57 2mev s VAL 198 CO 0.16 0.01 1.17 0.21 -3.33 0.00 0.00 175.10 173.32 2mev s ASN 199 N 0.19 -0.05 0.10 3.54 2.47 -1.26 -4.98 114.94 114.95 2mev s ASN 199 Ca -0.01 -0.32 0.26 0.00 0.42 0.00 0.00 52.86 53.22 2mev s ASN 199 Cb -0.02 0.29 1.00 0.00 -1.45 0.00 0.00 41.25 41.07 2mev s ASN 199 CO -0.00 -0.56 1.82 2.30 -3.72 0.00 0.00 177.10 176.94 2mev n ILE 200 N -0.63 0.37 -4.15 -5.21 -5.35 -1.26 -4.85 119.36 98.29 2mev n ILE 200 Ca -0.04 -0.09 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 2mev n ILE 200 Cb 0.61 -0.61 -0.10 0.00 -1.74 0.00 0.00 39.64 37.79 2mev n ILE 200 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2mev s ALA 201 N -3.06 0.87 0.62 -1.28 0.00 -1.26 -5.06 121.76 112.58 2mev s ALA 201 Ca 0.11 -1.43 0.31 0.00 0.00 0.00 0.00 51.96 50.96 2mev s ALA 201 Cb 0.15 0.65 1.72 0.00 0.00 0.00 0.00 23.12 25.64 2mev s ALA 201 CO 0.53 -0.42 2.07 -1.00 0.00 0.00 0.00 175.76 176.94 2mev h PRO 202 N 2.90 0.00 -3.99 0.00 0.13 -2.02 -3.43 132.00 125.60 2mev h PRO 202 Ca -0.35 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.66 2mev h PRO 202 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2mev h PRO 202 CO 0.61 0.00 -0.37 -0.08 -0.23 0.00 0.00 178.00 177.93 2mev s THR 203 N -4.45 0.06 -0.02 1.56 -1.32 -1.26 -4.75 115.64 105.46 2mev s THR 203 Ca -0.04 -1.50 0.07 0.00 -1.21 0.00 0.00 61.69 59.00 2mev s THR 203 Cb 0.14 -1.94 -0.02 0.00 -1.51 0.00 0.00 72.50 69.17 2mev s THR 203 CO 0.47 -0.28 -0.22 -0.55 -2.21 0.00 0.00 174.62 171.82 2mev s SER 204 N -2.99 3.35 -1.28 8.08 0.15 -1.01 -4.97 113.70 115.03 2mev s SER 204 Ca 0.20 -0.40 -0.13 0.00 0.70 0.00 0.00 55.95 56.32 2mev s SER 204 Cb 0.04 -0.49 0.13 0.00 -1.71 0.00 0.00 66.02 63.99 2mev s SER 204 CO 0.02 0.32 1.73 -0.24 1.20 0.00 0.00 173.24 176.27 2mev n SER 205 N 2.35 4.95 -0.05 5.45 2.88 -1.26 -1.35 113.62 126.58 2mev n SER 205 Ca -0.16 -2.99 0.25 0.00 -1.33 0.00 0.00 58.87 54.64 2mev n SER 205 Cb 0.51 -1.59 0.70 0.00 -0.75 0.00 0.00 64.21 63.08 2mev n SER 205 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 2mev h TRP 206 N 6.64 0.00 -0.57 0.66 5.08 -1.82 -2.67 115.95 123.27 2mev h TRP 206 Ca 0.40 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.48 2mev h TRP 206 Cb 0.77 0.00 -0.11 0.00 -3.00 0.00 0.00 29.16 26.82 2mev h TRP 206 CO 1.26 0.00 -0.16 1.15 -1.28 0.00 0.00 178.44 179.41 2mev h THR 207 N 0.00 0.40 -0.33 0.12 2.02 -1.89 -2.52 112.91 110.72 2mev h THR 207 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.51 2mev h THR 207 Cb 1.63 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 68.44 2mev h THR 207 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2mev n GLN 208 N -5.41 3.25 -3.70 6.66 10.64 -1.01 -4.96 117.38 122.86 2mev n GLN 208 Ca 0.06 -2.83 -0.16 0.00 -1.83 0.00 0.00 57.00 52.25 2mev n GLN 208 Cb 0.31 -1.86 -0.15 0.00 -0.86 0.00 0.00 30.24 27.67 2mev n GLN 208 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 2mev s HIS 209 N -2.63 -0.15 -0.76 2.61 5.04 -0.95 -5.06 115.29 113.39 2mev s HIS 209 Ca 0.43 0.53 -0.10 0.00 -1.54 0.00 0.00 55.06 54.39 2mev s HIS 209 Cb 0.33 -0.21 0.20 0.00 0.04 0.00 0.00 32.58 32.94 2mev s HIS 209 CO 0.11 -0.23 0.66 0.00 -2.34 0.00 0.00 174.74 172.94 2mev s ALA 210 N 1.87 3.92 0.14 1.58 0.00 -1.26 -4.61 121.76 123.39 2mev s ALA 210 Ca -0.01 -3.33 0.34 0.00 0.00 0.00 0.00 51.96 48.96 2mev s ALA 210 Cb -0.12 -3.20 1.46 0.00 0.00 0.00 0.00 23.12 21.27 2mev s ALA 210 CO -0.06 -2.22 2.01 0.66 0.00 0.00 0.00 175.76 176.16 2mev h SER 211 N 7.43 0.00 -4.28 0.00 4.64 -1.94 -3.43 113.55 115.97 2mev h SER 211 Ca 0.07 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.96 2mev h SER 211 Cb 1.00 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.83 2mev h SER 211 CO 0.74 0.00 -0.79 0.26 -0.87 0.00 0.00 176.83 176.17 2mev s TRP 212 N -3.70 1.12 -0.03 4.77 0.52 -1.24 -0.27 118.94 120.10 2mev s TRP 212 Ca 0.01 -0.31 0.03 0.00 0.02 0.00 0.00 56.10 55.85 2mev s TRP 212 Cb 0.09 -0.68 -0.00 0.00 -1.15 0.00 0.00 33.47 31.73 2mev s TRP 212 CO 0.52 0.01 -0.13 0.99 0.02 0.00 0.00 176.95 178.37 2mev s THR 213 N -0.69 1.07 -0.20 2.01 2.01 -0.48 -1.34 115.64 118.02 2mev s THR 213 Ca 0.02 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.32 2mev s THR 213 Cb -0.07 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 2mev s THR 213 CO 0.01 0.32 0.47 -0.22 -0.69 0.00 0.00 174.62 174.50 2mev s LEU 214 N 0.11 4.15 -0.08 4.42 2.96 -0.58 -1.26 118.68 128.39 2mev s LEU 214 Ca -0.03 0.61 0.03 0.00 -0.22 0.00 0.00 54.13 54.52 2mev s LEU 214 Cb -0.10 -2.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 2mev s LEU 214 CO 0.01 -0.14 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.04 2mev s VAL 215 N 1.51 2.71 -0.20 1.68 1.01 0.04 -0.52 120.40 126.62 2mev s VAL 215 Ca 0.22 -0.82 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2mev s VAL 215 Cb -0.15 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.17 2mev s VAL 215 CO 0.09 0.56 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2mev s ILE 216 N -0.11 2.64 0.05 2.22 1.01 -0.45 -1.22 121.20 125.35 2mev s ILE 216 Ca -0.03 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.87 2mev s ILE 216 Cb -0.14 -2.18 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2mev s ILE 216 CO 0.04 0.45 -0.12 0.00 0.00 0.00 0.00 174.94 175.31 2mev s ALA 217 N 1.36 0.97 0.10 9.38 0.00 -0.70 -0.96 121.76 131.91 2mev s ALA 217 Ca 0.05 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 50.91 2mev s ALA 217 Cb -0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.83 2mev s ALA 217 CO -0.08 0.13 0.83 0.08 0.00 0.00 0.00 175.76 176.72 2mev s VAL 218 N -1.09 4.55 0.00 0.00 1.01 -0.43 -0.06 120.40 124.37 2mev s VAL 218 Ca -0.03 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.75 2mev s VAL 218 Cb -0.09 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.10 2mev s VAL 218 CO 0.01 0.39 0.00 1.33 0.00 0.00 0.00 175.10 176.84 2mev n VAL 219 N 2.46 0.00 -3.76 2.92 0.24 -0.50 0.76 118.33 120.45 2mev n VAL 219 Ca -0.02 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.00 2mev n VAL 219 Cb 0.49 -0.67 -0.16 0.00 -1.47 0.00 0.00 33.84 32.03 2mev n VAL 219 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2mev s ALA 220 N -1.95 1.21 0.49 2.33 0.00 -0.87 -4.76 121.76 118.20 2mev s ALA 220 Ca 0.00 -0.95 -0.22 0.00 0.00 0.00 0.00 51.96 50.79 2mev s ALA 220 Cb 0.00 -1.29 -0.08 0.00 0.00 0.00 0.00 23.12 21.75 2mev s ALA 220 CO 0.00 -1.27 1.11 -2.30 0.00 0.00 0.00 175.76 173.30 2mev n PRO 221 N 4.97 1.41 -1.85 0.00 -0.02 -1.26 -0.74 135.00 137.51 2mev n PRO 221 Ca -0.08 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 2mev n PRO 221 Cb 0.46 -2.23 -0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2mev n PRO 221 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2mev s LEU 222 N -1.63 4.37 -0.02 2.45 2.96 -1.26 -4.36 118.68 121.20 2mev s LEU 222 Ca 0.67 2.70 0.02 0.00 -0.22 0.00 0.00 54.13 57.30 2mev s LEU 222 Cb -0.48 -3.59 -0.00 0.00 0.50 0.00 0.00 46.19 42.62 2mev s LEU 222 CO 0.53 -0.89 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.70 2mev s THR 223 N 1.43 0.65 -0.08 3.68 2.01 -0.21 -4.49 115.64 118.63 2mev s THR 223 Ca 0.73 -0.31 -0.32 0.00 0.31 0.00 0.00 61.69 62.09 2mev s THR 223 Cb -0.45 -0.57 0.12 0.00 0.01 0.00 0.00 72.50 71.61 2mev s THR 223 CO 0.32 0.20 1.17 -0.72 -0.69 0.00 0.00 174.62 174.90 2mev s TYR 224 N 0.05 -0.13 0.40 4.92 -0.85 -1.26 -1.17 117.35 119.31 2mev s TYR 224 Ca -0.00 0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.62 2mev s TYR 224 Cb -0.06 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.82 2mev s TYR 224 CO -0.00 -0.32 0.57 -1.12 -1.52 0.00 0.00 175.55 173.16 2mev s SER 225 N -2.53 5.80 0.18 -0.18 0.01 -1.26 -5.02 113.70 110.70 2mev s SER 225 Ca 0.11 -0.11 -0.32 0.00 1.31 0.00 0.00 55.95 56.93 2mev s SER 225 Cb 0.01 -1.14 -0.12 0.00 0.21 0.00 0.00 66.02 64.97 2mev s SER 225 CO -0.04 -0.64 1.71 0.41 0.41 0.00 0.00 173.24 175.08 2mev n THR 226 N -1.86 0.05 0.00 1.44 -1.04 -1.26 -2.00 114.28 109.61 2mev n THR 226 Ca 0.03 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 2mev n THR 226 Cb 0.58 -1.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2mev n THR 226 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2mev n GLY 227 N 3.89 1.11 3.86 3.41 0.00 -1.26 -5.08 105.19 111.11 2mev n GLY 227 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2mev n GLY 227 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mev s ALA 228 N -2.22 2.90 0.36 4.61 0.00 -0.85 -4.97 121.76 121.60 2mev s ALA 228 Ca 0.00 -0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.59 2mev s ALA 228 Cb 0.00 -3.10 -0.12 0.00 0.00 0.00 0.00 23.12 19.91 2mev s ALA 228 CO 0.00 -0.97 1.31 0.43 0.00 0.00 0.00 175.76 176.53 2mev n SER 229 N -2.93 2.84 -0.04 0.00 7.64 -1.26 -4.94 113.62 114.92 2mev n SER 229 Ca 0.07 1.19 0.04 0.00 1.01 0.00 0.00 58.87 61.18 2mev n SER 229 Cb 0.55 -1.50 -0.17 0.00 -1.01 0.00 0.00 64.21 62.08 2mev n SER 229 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2mev n THR 230 N 0.25 0.46 -3.88 0.44 -1.04 -1.26 -4.93 114.28 104.32 2mev n THR 230 Ca 0.05 -0.61 -0.17 0.00 -2.04 0.00 0.00 64.05 61.27 2mev n THR 230 Cb 0.37 -0.15 -0.16 0.00 -1.82 0.00 0.00 70.33 68.57 2mev n THR 230 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2mev s SER 231 N -4.82 0.53 -0.27 8.00 0.15 -1.26 -4.44 113.70 111.58 2mev s SER 231 Ca -0.09 -0.02 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 2mev s SER 231 Cb 0.11 -0.22 -0.01 0.00 -1.71 0.00 0.00 66.02 64.20 2mev s SER 231 CO 0.87 -0.12 0.08 -0.76 1.20 0.00 0.00 173.24 174.51 2mev s LEU 232 N 1.18 3.66 0.55 3.45 1.43 -0.21 -4.94 118.68 123.80 2mev s LEU 232 Ca -0.08 -0.45 -0.19 0.00 -1.03 0.00 0.00 54.13 52.39 2mev s LEU 232 Cb -0.13 -1.91 -0.05 0.00 0.03 0.00 0.00 46.19 44.13 2mev s LEU 232 CO -0.02 -0.12 1.10 -1.81 0.23 0.00 0.00 176.35 175.73 2mev s ASP 233 N 1.56 5.75 -0.19 2.29 1.11 -1.26 -0.08 116.67 125.86 2mev s ASP 233 Ca 0.05 2.07 0.01 0.00 0.18 0.00 0.00 52.55 54.86 2mev s ASP 233 Cb -0.16 -2.57 0.03 0.00 1.07 0.00 0.00 42.92 41.29 2mev s ASP 233 CO 0.03 -1.19 -0.15 -0.63 1.18 0.00 0.00 175.17 174.41 2mev s ILE 234 N -1.95 1.88 0.31 0.77 1.01 -0.04 -4.46 121.20 118.71 2mev s ILE 234 Ca 0.70 -1.00 0.09 0.00 0.00 0.00 0.00 60.65 60.44 2mev s ILE 234 Cb -0.21 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.39 2mev s ILE 234 CO 0.29 0.35 -0.10 0.42 0.00 0.00 0.00 174.94 175.89 2mev s THR 235 N 1.33 2.06 0.02 2.92 -4.23 -0.80 0.17 115.64 117.11 2mev s THR 235 Ca 0.01 -2.21 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 2mev s THR 235 Cb -0.15 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.18 2mev s THR 235 CO -0.10 -0.29 0.02 0.00 -0.54 0.00 0.00 174.62 173.71 2mev s ALA 236 N -2.74 0.01 -0.20 3.99 0.00 -0.24 -0.28 121.76 122.29 2mev s ALA 236 Ca 0.31 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.78 2mev s ALA 236 Cb 0.01 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2mev s ALA 236 CO 0.14 -0.20 -0.18 -1.12 0.00 0.00 0.00 175.76 174.41 2mev s SER 237 N -1.57 3.40 -0.06 0.00 0.01 -0.24 -1.42 113.70 113.83 2mev s SER 237 Ca -0.14 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.40 2mev s SER 237 Cb -0.08 -1.50 -0.01 0.00 0.21 0.00 0.00 66.02 64.64 2mev s SER 237 CO -0.01 -0.04 -0.24 -0.63 0.41 0.00 0.00 173.24 172.73 2mev s ILE 238 N 1.26 2.14 -0.08 1.44 1.01 0.12 -1.58 121.20 125.51 2mev s ILE 238 Ca 0.03 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.65 2mev s ILE 238 Cb -0.14 -1.78 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2mev s ILE 238 CO -0.11 0.57 -0.09 -1.58 0.00 0.00 0.00 174.94 173.73 2mev s GLN 239 N -0.21 1.46 0.03 2.79 0.74 -0.37 -0.33 119.66 123.77 2mev s GLN 239 Ca -0.02 -0.29 -0.30 0.00 0.05 0.00 0.00 55.36 54.80 2mev s GLN 239 Cb -0.13 -1.35 -0.06 0.00 1.10 0.00 0.00 33.01 32.57 2mev s GLN 239 CO 0.03 -0.10 1.32 -1.25 -0.55 0.00 0.00 175.29 174.74 2mev s PRO 240 N 1.10 4.34 -0.48 1.67 0.04 -1.26 -1.56 135.00 138.84 2mev s PRO 240 Ca -0.07 1.89 -0.18 0.00 0.04 0.00 0.00 61.00 62.68 2mev s PRO 240 Cb -0.14 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 31.00 2mev s PRO 240 CO -0.01 -0.45 0.56 0.08 0.04 0.00 0.00 177.00 177.22 2mev s VAL 241 N 1.78 4.96 -1.28 -0.36 1.01 0.42 -4.57 120.40 122.36 2mev s VAL 241 Ca 0.61 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2mev s VAL 241 Cb -0.31 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 31.86 2mev s VAL 241 CO 0.27 -0.69 0.59 0.54 0.00 0.00 0.00 175.10 175.82 2mev n ARG 242 N 5.93 -1.95 -2.14 2.72 1.74 -1.26 -2.05 116.66 119.65 2mev n ARG 242 Ca -0.07 0.37 -0.39 0.00 -0.77 0.00 0.00 57.85 56.99 2mev n ARG 242 Cb 0.46 -4.06 -0.01 0.00 -1.02 0.00 0.00 32.46 27.83 2mev n ARG 242 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2mev s PRO 243 N -6.46 3.90 -0.17 5.56 0.04 -1.26 -4.18 135.00 132.42 2mev s PRO 243 Ca 0.26 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2mev s PRO 243 Cb -0.11 -2.64 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2mev s PRO 243 CO 0.89 -0.50 -0.09 0.08 0.04 0.00 0.00 177.00 177.43 2mev s VAL 244 N -1.35 1.36 -0.02 -0.36 1.01 -0.23 -4.22 120.40 116.58 2mev s VAL 244 Ca 0.59 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 2mev s VAL 244 Cb -0.34 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2mev s VAL 244 CO 0.43 0.22 0.13 -0.36 0.00 0.00 0.00 175.10 175.52 2mev s PHE 245 N 1.54 3.44 0.06 5.22 0.08 -0.62 -1.98 117.98 125.71 2mev s PHE 245 Ca 0.01 0.31 -0.10 0.00 0.12 0.00 0.00 56.93 57.27 2mev s PHE 245 Cb -0.15 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.50 2mev s PHE 245 CO -0.08 0.61 0.22 -0.80 -0.10 0.00 0.00 175.22 175.08 2mev s ASN 246 N -1.73 0.01 -0.21 1.36 -0.87 -0.58 -1.09 114.94 111.83 2mev s ASN 246 Ca 0.24 -0.40 -0.00 0.00 -1.57 0.00 0.00 52.86 51.12 2mev s ASN 246 Cb -0.12 0.32 -0.00 0.00 -0.02 0.00 0.00 41.25 41.43 2mev s ASN 246 CO 0.15 -0.63 0.19 0.61 -2.57 0.00 0.00 177.10 174.85 2mev n GLY 247 N 0.42 -0.32 3.70 0.66 0.00 -1.26 -1.20 105.19 107.18 2mev n GLY 247 Ca -0.18 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2mev n GLY 247 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2mev s LEU 248 N -2.77 4.31 0.00 0.99 2.96 -1.26 0.72 118.68 123.63 2mev s LEU 248 Ca 0.03 1.89 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 2mev s LEU 248 Cb -0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 2mev s LEU 248 CO 0.19 -0.56 0.00 -2.11 -1.32 0.00 0.00 176.35 172.56 2mev n ARG 249 N 4.83 0.00 -1.58 1.98 1.85 -0.14 -4.97 116.66 118.63 2mev n ARG 249 Ca 0.10 0.00 -0.29 0.00 -1.00 0.00 0.00 57.85 56.66 2mev n ARG 249 Cb 0.46 0.00 0.16 0.00 -1.05 0.00 0.00 32.46 32.03 2mev n ARG 249 CO 0.00 0.00 0.00 -3.38 -0.01 0.00 0.00 177.63 174.24 2mev s HIS 250 N -3.05 1.96 0.24 2.89 0.00 -1.26 -4.73 115.29 111.34 2mev s HIS 250 Ca 0.00 0.65 -0.30 0.00 -3.00 0.00 0.00 55.06 52.42 2mev s HIS 250 Cb 0.00 -3.59 -0.09 0.00 -4.00 0.00 0.00 32.58 24.91 2mev s HIS 250 CO 0.00 -2.66 1.15 -2.00 -1.00 0.00 0.00 174.74 170.23 2mev s GLU 251 N -5.47 4.56 0.24 -0.38 2.12 -1.26 -4.68 118.70 113.81 2mev s GLU 251 Ca 0.67 1.86 -0.12 0.00 0.36 0.00 0.00 54.97 57.74 2mev s GLU 251 Cb -0.11 -3.21 0.32 0.00 0.26 0.00 0.00 34.13 31.39 2mev s GLU 251 CO 0.53 0.05 1.60 0.28 -0.54 0.00 0.00 175.26 177.18 2mev h VAL 252 N 3.40 0.20 0.00 3.70 2.07 -1.73 -3.45 116.25 120.44 2mev h VAL 252 Ca -0.46 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2mev h VAL 252 Cb 1.21 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2mev h VAL 252 CO 0.70 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 178.18 2mev n LEU 253 N -5.51 0.00 -4.55 2.57 -0.00 -1.26 -4.73 117.00 103.51 2mev n LEU 253 Ca 0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.80 2mev n LEU 253 Cb 0.40 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.78 2mev n LEU 253 CO -0.03 0.00 1.56 -0.55 -0.00 0.00 0.00 177.39 178.38 2mev s SER 254 N -4.00 4.90 -0.44 1.96 0.15 -1.26 -4.58 113.70 110.43 2mev s SER 254 Ca 0.00 0.16 -0.01 0.00 0.70 0.00 0.00 55.95 56.79 2mev s SER 254 Cb 0.00 -2.53 0.12 0.00 -1.71 0.00 0.00 66.02 61.89 2mev s SER 254 CO 0.00 -2.76 0.22 -0.60 1.20 0.00 0.00 173.24 171.30 2mev s ARG 255 N 7.49 2.01 0.00 5.44 3.00 -1.26 -5.21 118.95 130.42 2mev s ARG 255 Ca 0.77 -2.00 0.00 0.00 -1.00 0.00 0.00 55.73 53.50 2mev s ARG 255 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 34.95 31.30 2mev s ARG 255 CO 0.14 -1.07 0.00 1.04 0.00 0.00 0.00 175.30 175.41