#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m2p s LEU 1 N 0.00 4.39 -0.20 -3.43 1.02 -1.26 -4.95 118.68 114.25 3m2p s LEU 1 Ca 0.00 0.50 -0.18 0.00 0.02 0.00 0.00 54.13 54.46 3m2p s LEU 1 Cb 0.00 -2.10 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 3m2p s LEU 1 CO 0.00 0.40 0.52 -0.54 0.02 0.00 0.00 176.35 176.76 3m2p s LYS 2 N -1.03 4.19 -0.27 1.70 1.02 -1.26 -1.68 119.74 122.41 3m2p s LYS 2 Ca 0.15 0.42 -0.00 0.00 0.02 0.00 0.00 55.97 56.56 3m2p s LYS 2 Cb -0.12 -3.56 0.08 0.00 -0.52 0.00 0.00 37.83 33.71 3m2p s LYS 2 CO 0.05 -0.15 0.04 0.42 -0.92 0.00 0.00 175.35 174.78 3m2p s ILE 3 N 1.63 1.16 0.44 2.17 1.01 -0.81 -0.44 121.20 126.35 3m2p s ILE 3 Ca 0.24 -1.29 -0.23 0.00 0.00 0.00 0.00 60.65 59.37 3m2p s ILE 3 Cb -0.15 -1.70 -0.08 0.00 0.01 0.00 0.00 42.46 40.54 3m2p s ILE 3 CO 0.10 -0.41 1.11 0.00 0.00 0.00 0.00 174.94 175.74 3m2p s ALA 4 N 1.52 3.01 -0.31 9.38 0.00 -0.12 -1.50 121.76 133.74 3m2p s ALA 4 Ca 0.03 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3m2p s ALA 4 Cb -0.18 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.71 3m2p s ALA 4 CO -0.14 -0.45 0.11 0.08 0.00 0.00 0.00 175.76 175.36 3m2p s VAL 5 N -1.62 0.62 0.05 0.00 1.01 0.46 -0.24 120.40 120.68 3m2p s VAL 5 Ca 0.61 -1.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 3m2p s VAL 5 Cb -0.25 -1.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.56 3m2p s VAL 5 CO 0.31 -0.70 1.89 -0.89 0.00 0.00 0.00 175.10 175.71 3m2p s THR 6 N 1.71 2.94 -1.15 3.92 2.01 -0.45 -1.35 115.64 123.28 3m2p s THR 6 Ca 0.10 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.19 3m2p s THR 6 Cb -0.17 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3m2p s THR 6 CO -0.28 -0.01 0.23 0.61 -0.69 0.00 0.00 174.62 174.49 3m2p n GLY 7 N 4.41 -0.18 1.39 4.40 0.00 -0.90 -1.40 105.19 112.90 3m2p n GLY 7 Ca 0.19 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 3m2p n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3m2p n GLY 8 N -1.16 2.61 0.00 -0.02 0.00 -0.45 -2.50 105.19 103.66 3m2p n GLY 8 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3m2p n GLY 8 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3m2p n THR 9 N 0.83 0.00 -2.11 2.61 -1.04 -1.26 -4.46 114.28 108.85 3m2p n THR 9 Ca 0.07 -0.40 -0.05 0.00 -2.04 0.00 0.00 64.05 61.63 3m2p n THR 9 Cb 0.57 0.97 0.03 0.00 -1.82 0.00 0.00 70.33 70.08 3m2p n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3m2p n GLY 10 N 0.90 0.39 0.09 3.41 0.00 -1.04 -4.73 105.19 104.20 3m2p n GLY 10 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 46.02 44.07 3m2p n GLY 10 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3m2p h PHE 11 N -0.56 -0.26 -0.93 1.61 3.57 -1.98 0.00 116.94 118.40 3m2p h PHE 11 Ca -0.07 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.55 3m2p h PHE 11 Cb 0.24 0.10 -0.07 0.00 2.79 0.00 0.00 35.95 39.01 3m2p h PHE 11 CO 0.00 -0.12 0.60 1.25 -2.23 0.00 0.00 178.31 177.81 3m2p h LEU 12 N -0.16 0.81 -0.64 0.59 5.85 -1.95 -2.75 115.31 117.06 3m2p h LEU 12 Ca -0.01 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.84 3m2p h LEU 12 Cb 0.15 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3m2p h LEU 12 CO -0.02 0.45 0.28 1.23 -0.34 0.00 0.00 178.44 180.03 3m2p h GLY 13 N 0.88 0.93 2.00 3.75 0.00 -1.55 0.16 103.07 109.23 3m2p h GLY 13 Ca 0.45 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 3m2p h GLY 13 CO -0.21 0.01 -0.33 1.46 0.00 0.00 0.00 176.54 177.47 3m2p h GLN 14 N 0.48 0.00 -0.05 4.80 4.20 -0.71 -0.56 115.11 123.27 3m2p h GLN 14 Ca 0.32 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.79 3m2p h GLN 14 Cb 0.37 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.16 3m2p h GLN 14 CO -0.29 0.33 -0.93 1.88 -0.67 0.00 0.00 178.83 179.16 3m2p h TYR 15 N 0.00 0.95 -0.16 2.96 0.05 -1.36 -3.07 116.97 116.34 3m2p h TYR 15 Ca -0.00 -0.48 -0.08 0.00 0.05 0.00 0.00 58.73 58.21 3m2p h TYR 15 Cb 0.71 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.33 3m2p h TYR 15 CO 0.00 1.31 -0.22 0.28 -1.05 0.00 0.00 178.16 178.47 3m2p h VAL 16 N 0.41 1.35 -0.64 -2.88 2.07 -0.38 0.46 116.25 116.63 3m2p h VAL 16 Ca -0.09 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.02 3m2p h VAL 16 Cb 1.56 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 33.20 3m2p h VAL 16 CO 0.18 0.43 0.40 0.58 0.02 0.00 0.00 177.57 179.18 3m2p h VAL 17 N 0.06 1.10 -0.40 2.57 2.07 -1.28 -0.19 116.25 120.18 3m2p h VAL 17 Ca 0.02 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.29 3m2p h VAL 17 Cb 0.79 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3m2p h VAL 17 CO 0.05 0.14 0.21 -0.08 0.02 0.00 0.00 177.57 177.92 3m2p h GLU 18 N 0.79 0.42 -0.19 1.57 4.57 -1.39 -1.61 114.58 118.73 3m2p h GLU 18 Ca 0.25 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 3m2p h GLU 18 Cb -0.00 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3m2p h GLU 18 CO -0.09 0.28 0.12 0.77 -1.18 0.00 0.00 179.01 178.90 3m2p h SER 19 N 0.43 0.23 -0.83 1.04 0.02 -0.46 -1.86 113.55 112.13 3m2p h SER 19 Ca 0.17 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3m2p h SER 19 Cb 0.06 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3m2p h SER 19 CO -0.11 0.20 0.55 0.40 -1.14 0.00 0.00 176.83 176.73 3m2p h ILE 20 N 0.24 1.21 -0.08 3.27 2.04 -0.69 -2.60 117.51 120.90 3m2p h ILE 20 Ca 0.07 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 3m2p h ILE 20 Cb 0.01 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.08 3m2p h ILE 20 CO -0.01 0.20 0.02 0.50 0.00 0.00 0.00 178.15 178.86 3m2p h LYS 21 N 1.12 0.14 0.00 2.37 3.64 -1.08 -2.15 116.57 120.61 3m2p h LYS 21 Ca 0.30 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3m2p h LYS 21 Cb -0.13 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3m2p h LYS 21 CO -0.07 0.34 0.00 0.09 -2.27 0.00 0.00 179.45 177.55 3m2p n ASN 22 N -4.88 0.00 0.00 4.20 3.02 -0.72 -1.81 115.26 115.07 3m2p n ASN 22 Ca -0.06 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.93 3m2p n ASN 22 Cb 0.16 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3m2p n ASN 22 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3m2p n ASP 23 N -0.80 1.46 0.00 6.41 2.03 -1.13 -4.97 116.55 119.56 3m2p n ASP 23 Ca 0.06 -1.49 0.00 0.00 0.52 0.00 0.00 54.79 53.88 3m2p n ASP 23 Cb 0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.43 3m2p n ASP 23 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3m2p n GLY 24 N -0.25 0.79 3.83 0.27 0.00 -0.75 -5.08 105.19 104.01 3m2p n GLY 24 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3m2p n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3m2p s ASN 25 N -2.40 5.08 -0.48 1.61 0.01 -0.82 -4.57 114.94 113.38 3m2p s ASN 25 Ca 0.00 -0.63 -0.14 0.00 -0.71 0.00 0.00 52.86 51.38 3m2p s ASN 25 Cb 0.00 -0.80 0.09 0.00 0.41 0.00 0.00 41.25 40.95 3m2p s ASN 25 CO 0.00 -0.43 0.39 -0.89 -1.51 0.00 0.00 177.10 174.66 3m2p s THR 26 N -2.38 4.91 0.52 1.60 2.01 -0.68 -3.82 115.64 117.80 3m2p s THR 26 Ca 0.42 -1.33 -0.22 0.00 0.31 0.00 0.00 61.69 60.87 3m2p s THR 26 Cb -0.04 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.38 3m2p s THR 26 CO 0.26 -0.66 1.33 -2.84 -0.69 0.00 0.00 174.62 172.02 3m2p s PRO 27 N 1.56 3.31 -0.23 4.92 0.02 -1.26 -1.93 135.00 141.38 3m2p s PRO 27 Ca 0.04 2.18 -0.01 0.00 0.02 0.00 0.00 61.00 63.23 3m2p s PRO 27 Cb -0.26 -2.34 0.07 0.00 0.02 0.00 0.00 34.50 32.00 3m2p s PRO 27 CO 0.04 -1.03 0.02 0.42 -0.33 0.00 0.00 177.00 176.11 3m2p s ILE 28 N -1.33 0.98 -0.09 2.83 1.01 -0.56 -4.41 121.20 119.63 3m2p s ILE 28 Ca 0.69 -0.99 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 3m2p s ILE 28 Cb -0.39 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 3m2p s ILE 28 CO 0.47 -0.27 1.35 -0.63 0.00 0.00 0.00 174.94 175.86 3m2p s ILE 29 N 1.63 4.02 -0.21 2.92 1.09 -0.52 -0.41 121.20 129.73 3m2p s ILE 29 Ca -0.00 1.30 -0.10 0.00 -1.10 0.00 0.00 60.65 60.75 3m2p s ILE 29 Cb -0.18 -3.84 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 3m2p s ILE 29 CO -0.11 -0.07 0.13 -0.22 -0.10 0.00 0.00 174.94 174.57 3m2p s LEU 30 N 3.13 4.13 0.15 2.97 2.96 -0.78 -0.86 118.68 130.38 3m2p s LEU 30 Ca 0.60 0.18 -0.13 0.00 -0.22 0.00 0.00 54.13 54.57 3m2p s LEU 30 Cb -0.26 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.36 3m2p s LEU 30 CO 0.21 0.15 0.35 0.28 -1.32 0.00 0.00 176.35 176.03 3m2p s THR 31 N 0.52 0.07 -0.06 3.68 -1.32 -1.00 -2.13 115.64 115.40 3m2p s THR 31 Ca 0.07 -1.00 -0.04 0.00 -1.21 0.00 0.00 61.69 59.52 3m2p s THR 31 Cb -0.12 -1.51 -0.02 0.00 -1.51 0.00 0.00 72.50 69.34 3m2p s THR 31 CO -0.00 -0.33 0.18 0.03 -2.21 0.00 0.00 174.62 172.28 3m2p h ARG 32 N 2.46 -0.12 -5.56 7.08 3.08 -1.89 0.66 114.38 120.08 3m2p h ARG 32 Ca -0.32 0.01 -0.54 0.00 0.07 0.00 0.00 59.98 59.20 3m2p h ARG 32 Cb 1.24 0.03 -0.14 0.00 0.08 0.00 0.00 29.97 31.18 3m2p h ARG 32 CO 0.47 -0.08 -0.65 0.45 -1.07 0.00 0.00 179.97 179.09 3m2p s SER 33 N -4.80 3.06 -0.25 7.04 0.15 -1.26 -4.39 113.70 113.26 3m2p s SER 33 Ca -0.02 -1.26 -0.04 0.00 0.70 0.00 0.00 55.95 55.33 3m2p s SER 33 Cb 0.00 -0.23 -0.00 0.00 -1.71 0.00 0.00 66.02 64.08 3m2p s SER 33 CO 0.06 -0.39 -0.01 -0.63 1.20 0.00 0.00 173.24 173.47 3m2p s ILE 34 N -2.94 3.52 -0.04 6.45 1.01 -1.26 -5.10 121.20 122.84 3m2p s ILE 34 Ca 0.32 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.43 3m2p s ILE 34 Cb 0.06 -2.69 0.08 0.00 0.01 0.00 0.00 42.46 39.92 3m2p s ILE 34 CO 0.15 0.30 0.94 0.61 0.00 0.00 0.00 174.94 176.94 3m2p n GLY 35 N 4.80 1.35 2.54 6.18 0.00 -1.26 -5.28 105.19 113.52 3m2p n GLY 35 Ca -0.17 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.37 3m2p n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m2p n ASP 41 N -0.46 2.25 -1.54 1.61 -0.08 -1.26 -5.25 116.55 111.82 3m2p n ASP 41 Ca 0.04 -3.09 0.00 0.00 -1.51 0.00 0.00 54.79 50.23 3m2p n ASP 41 Cb 0.58 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.50 3m2p n ASP 41 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3m2p n TYR 42 N -0.07 -0.05 -2.57 -0.67 4.01 -1.26 -5.12 117.16 111.43 3m2p n TYR 42 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.53 3m2p n TYR 42 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.70 3m2p n TYR 42 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3m2p s GLU 43 N -1.30 4.40 -0.03 -0.72 2.12 -1.26 -4.98 118.70 116.93 3m2p s GLU 43 Ca 0.00 1.55 0.01 0.00 0.36 0.00 0.00 54.97 56.88 3m2p s GLU 43 Cb 0.00 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.83 3m2p s GLU 43 CO 0.00 -0.35 -0.02 0.71 -0.54 0.00 0.00 175.26 175.06 3m2p s TYR 44 N 1.95 3.05 -0.14 5.30 1.51 -1.26 -1.44 117.35 126.32 3m2p s TYR 44 Ca 0.53 0.08 -0.00 0.00 -1.01 0.00 0.00 57.07 56.67 3m2p s TYR 44 Cb -0.22 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 3m2p s TYR 44 CO 0.21 0.43 -0.10 1.03 -1.11 0.00 0.00 175.55 176.02 3m2p s ARG 45 N -1.26 1.80 -0.00 -0.62 0.52 -0.04 -4.96 118.95 114.40 3m2p s ARG 45 Ca 0.17 -0.44 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 3m2p s ARG 45 Cb -0.11 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.42 3m2p s ARG 45 CO 0.07 -0.30 0.74 0.08 0.02 0.00 0.00 175.30 175.91 3m2p s VAL 46 N 1.60 4.88 0.08 3.52 1.01 -1.26 -2.38 120.40 127.85 3m2p s VAL 46 Ca 0.04 1.56 0.01 0.00 0.00 0.00 0.00 61.98 63.59 3m2p s VAL 46 Cb -0.13 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3m2p s VAL 46 CO -0.09 0.31 -0.05 -0.55 0.00 0.00 0.00 175.10 174.72 3m2p s SER 47 N 0.34 0.90 0.00 3.32 0.15 0.22 -4.94 113.70 113.69 3m2p s SER 47 Ca 0.39 -1.01 0.21 0.00 0.70 0.00 0.00 55.95 56.23 3m2p s SER 47 Cb -0.19 0.14 0.14 0.00 -1.71 0.00 0.00 66.02 64.40 3m2p s SER 47 CO 0.21 -0.52 1.14 -0.90 1.20 0.00 0.00 173.24 174.37 3m2p n ASP 48 N 0.00 2.63 -1.45 5.45 5.68 -1.26 -4.20 116.55 123.40 3m2p n ASP 48 Ca -0.12 -1.81 -0.15 0.00 -0.50 0.00 0.00 54.79 52.20 3m2p n ASP 48 Cb 0.61 0.06 -0.03 0.00 -1.14 0.00 0.00 41.12 40.62 3m2p n ASP 48 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3m2p n TYR 49 N 1.02 -0.39 -2.32 2.11 4.01 -1.26 -5.03 117.16 115.29 3m2p n TYR 49 Ca 0.12 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.54 3m2p n TYR 49 Cb 0.51 -2.90 -0.02 0.00 -0.31 0.00 0.00 39.34 36.62 3m2p n TYR 49 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3m2p s THR 50 N -2.66 4.64 0.22 -0.72 -4.23 -1.26 -4.76 115.64 106.87 3m2p s THR 50 Ca 0.00 0.99 -0.08 0.00 -1.18 0.00 0.00 61.69 61.42 3m2p s THR 50 Cb 0.00 -3.77 0.17 0.00 1.34 0.00 0.00 72.50 70.24 3m2p s THR 50 CO 0.00 -0.80 1.73 0.25 -0.54 0.00 0.00 174.62 175.26 3m2p h LEU 51 N 0.58 0.21 -0.28 4.79 6.46 -1.96 -1.93 115.31 123.18 3m2p h LEU 51 Ca -0.46 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.33 3m2p h LEU 51 Cb 1.19 0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 41.19 3m2p h LEU 51 CO 0.62 0.11 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.17 3m2p h GLU 52 N 0.40 0.53 -0.08 1.25 4.39 -1.95 -1.31 114.58 117.81 3m2p h GLU 52 Ca 0.34 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 3m2p h GLU 52 Cb 0.46 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3m2p h GLU 52 CO -0.35 0.72 0.02 0.22 -1.16 0.00 0.00 179.01 178.46 3m2p h ASP 53 N 0.30 0.12 -0.89 1.42 3.58 -1.94 -3.12 116.42 115.90 3m2p h ASP 53 Ca 0.07 -0.24 0.06 0.00 0.42 0.00 0.00 57.03 57.35 3m2p h ASP 53 Cb 0.51 -0.03 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 3m2p h ASP 53 CO 0.02 0.33 0.56 -0.07 -2.88 0.00 0.00 179.24 177.20 3m2p h LEU 54 N -0.10 0.88 -1.29 2.28 3.38 -1.21 0.14 115.31 119.40 3m2p h LEU 54 Ca 0.02 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.13 3m2p h LEU 54 Cb 0.26 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.77 3m2p h LEU 54 CO 0.00 0.56 0.56 0.40 0.09 0.00 0.00 178.44 180.05 3m2p h ILE 55 N 1.02 0.88 0.02 1.22 2.04 -1.20 -1.80 117.51 119.68 3m2p h ILE 55 Ca 0.39 -0.25 -0.23 0.00 1.00 0.00 0.00 64.86 65.77 3m2p h ILE 55 Cb 0.17 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 3m2p h ILE 55 CO -0.17 0.13 -1.09 0.78 0.00 0.00 0.00 178.15 177.80 3m2p h ASN 56 N 0.73 0.06 0.76 1.72 -0.26 -0.89 -3.24 115.58 114.46 3m2p h ASN 56 Ca 0.42 -0.07 0.00 0.00 -0.56 0.00 0.00 56.30 56.09 3m2p h ASN 56 Cb 0.60 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.84 3m2p h ASN 56 CO -0.18 1.06 0.00 0.00 -1.06 0.00 0.00 177.43 177.24 3m2p n GLN 57 N -3.35 0.08 -0.24 0.81 1.13 0.26 -3.69 117.38 112.37 3m2p n GLN 57 Ca -0.03 0.07 0.04 0.00 -1.94 0.00 0.00 57.00 55.15 3m2p n GLN 57 Cb 0.96 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.87 3m2p n GLN 57 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3m2p n LEU 58 N -1.45 1.17 0.15 1.08 4.77 -0.87 -4.85 117.00 117.00 3m2p n LEU 58 Ca 0.07 -1.90 0.13 0.00 -0.03 0.00 0.00 56.01 54.28 3m2p n LEU 58 Cb 0.27 -0.19 0.44 0.00 -2.33 0.00 0.00 43.42 41.62 3m2p n LEU 58 CO 0.22 0.45 0.88 -0.55 -1.33 0.00 0.00 177.39 177.06 3m2p h ASN 59 N 0.00 0.00 -0.27 -1.43 7.08 -1.63 -2.24 115.58 117.09 3m2p h ASN 59 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3m2p h ASN 59 Cb 1.13 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.37 3m2p h ASN 59 CO 0.00 0.00 0.00 -0.90 -2.08 0.00 0.00 177.43 174.45 3m2p n ASP 60 N -2.45 3.31 -4.85 6.14 5.75 -1.26 -5.02 116.55 118.16 3m2p n ASP 60 Ca 0.04 -2.56 -0.36 0.00 -0.01 0.00 0.00 54.79 51.90 3m2p n ASP 60 Cb 0.35 -0.38 -0.06 0.00 -1.03 0.00 0.00 41.12 40.01 3m2p n ASP 60 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3m2p s VAL 61 N -2.00 4.98 -0.19 2.12 1.01 -0.84 -4.78 120.40 120.71 3m2p s VAL 61 Ca 0.32 0.67 0.15 0.00 0.00 0.00 0.00 61.98 63.13 3m2p s VAL 61 Cb 0.23 -3.70 -0.22 0.00 0.00 0.00 0.00 36.38 32.69 3m2p s VAL 61 CO 0.11 0.33 0.04 0.47 0.00 0.00 0.00 175.10 176.05 3m2p n ASP 62 N 1.03 0.54 -3.71 3.32 8.00 0.41 -4.84 116.55 121.31 3m2p n ASP 62 Ca -0.08 -0.01 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3m2p n ASP 62 Cb 0.52 0.87 -0.07 0.00 -0.02 0.00 0.00 41.12 42.42 3m2p n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3m2p s ALA 63 N -2.45 -0.84 -0.03 2.24 0.00 -1.03 -4.55 121.76 115.11 3m2p s ALA 63 Ca -0.11 0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.08 3m2p s ALA 63 Cb 0.06 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3m2p s ALA 63 CO 0.74 -0.43 -0.25 0.08 0.00 0.00 0.00 175.76 175.90 3m2p s VAL 64 N -2.50 2.00 -0.25 0.00 1.01 -0.97 -0.95 120.40 118.75 3m2p s VAL 64 Ca -0.05 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.83 3m2p s VAL 64 Cb -0.01 -1.67 0.02 0.00 0.00 0.00 0.00 36.38 34.72 3m2p s VAL 64 CO -0.03 0.56 -0.03 -0.69 0.00 0.00 0.00 175.10 174.92 3m2p s VAL 65 N -0.46 3.15 -0.61 2.92 1.01 0.67 -1.93 120.40 125.15 3m2p s VAL 65 Ca 0.06 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 3m2p s VAL 65 Cb -0.11 -2.58 0.15 0.00 0.00 0.00 0.00 36.38 33.84 3m2p s VAL 65 CO 0.00 0.20 0.55 -2.28 0.00 0.00 0.00 175.10 173.57 3m2p s HIS 66 N 1.38 3.41 -0.89 5.22 2.46 0.63 -1.35 115.29 126.16 3m2p s HIS 66 Ca 0.01 -1.59 0.13 0.00 0.47 0.00 0.00 55.06 54.09 3m2p s HIS 66 Cb -0.16 -3.75 -0.08 0.00 -0.13 0.00 0.00 32.58 28.45 3m2p s HIS 66 CO -0.03 -1.00 0.64 1.28 -2.47 0.00 0.00 174.74 173.16 3m2p n LEU 67 N 4.82 0.98 -4.69 8.88 4.77 -0.50 -2.47 117.00 128.80 3m2p n LEU 67 Ca -0.05 -0.62 -0.42 0.00 -0.03 0.00 0.00 56.01 54.89 3m2p n LEU 67 Cb 0.42 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 3m2p n LEU 67 CO 0.47 0.21 1.46 0.00 -1.33 0.00 0.00 177.39 178.20 3m2p n ALA 68 N -0.81 2.25 -3.40 -1.18 0.00 -0.77 -4.83 120.51 111.77 3m2p n ALA 68 Ca 0.04 0.32 -0.16 0.00 0.00 0.00 0.00 53.44 53.64 3m2p n ALA 68 Cb 0.24 -2.58 -0.07 0.00 0.00 0.00 0.00 19.45 17.04 3m2p n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3m2p s ALA 69 N 2.54 -1.35 -0.19 0.00 0.00 -1.26 -4.97 121.76 116.53 3m2p s ALA 69 Ca 0.81 0.90 -0.14 0.00 0.00 0.00 0.00 51.96 53.53 3m2p s ALA 69 Cb -0.49 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.62 3m2p s ALA 69 CO 0.37 -0.32 0.29 0.99 0.00 0.00 0.00 175.76 177.09 3m2p s THR 70 N -1.25 5.29 0.03 0.00 2.01 -1.26 -5.00 115.64 115.46 3m2p s THR 70 Ca -0.12 0.51 0.26 0.00 0.31 0.00 0.00 61.69 62.65 3m2p s THR 70 Cb -0.02 -3.63 0.29 0.00 0.01 0.00 0.00 72.50 69.14 3m2p s THR 70 CO 0.08 0.34 1.82 -0.09 -0.69 0.00 0.00 174.62 176.08 3m2p h ARG 71 N 7.06 0.00 -2.78 4.92 2.43 -2.00 -3.46 114.38 120.54 3m2p h ARG 71 Ca -0.39 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.02 3m2p h ARG 71 Cb 1.16 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 3m2p h ARG 71 CO 0.73 0.14 -0.98 0.41 -1.51 0.00 0.00 179.97 178.76 3m2p n GLY 72 N 0.31 -3.31 0.00 2.80 0.00 -1.26 -4.90 105.19 98.83 3m2p n GLY 72 Ca 0.01 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.92 3m2p n GLY 72 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3m2p n SER 73 N -3.68 0.00 0.04 1.61 3.41 -1.26 -4.89 113.62 108.85 3m2p n SER 73 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.52 3m2p n SER 73 Cb 0.52 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 3m2p n SER 73 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3m2p h GLN 74 N 0.00 0.00 0.00 4.33 1.08 -2.02 -3.47 115.11 115.03 3m2p h GLN 74 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3m2p h GLN 74 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3m2p h GLN 74 CO 0.00 0.47 0.00 0.41 -0.95 0.00 0.00 178.83 178.76 3m2p n GLY 75 N 1.40 0.82 3.38 3.46 0.00 -1.26 -5.09 105.19 107.90 3m2p n GLY 75 Ca -0.08 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3m2p n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m2p s LYS 76 N -2.11 2.97 0.57 1.61 1.02 -1.26 -5.02 119.74 117.52 3m2p s LYS 76 Ca 0.00 -0.73 0.31 0.00 0.02 0.00 0.00 55.97 55.57 3m2p s LYS 76 Cb 0.00 -2.46 1.75 0.00 -0.52 0.00 0.00 37.83 36.60 3m2p s LYS 76 CO 0.00 0.36 2.20 0.97 -0.92 0.00 0.00 175.35 177.96 3m2p h ILE 77 N 5.04 0.46 0.00 2.17 6.09 -2.01 -1.67 117.51 127.59 3m2p h ILE 77 Ca -0.33 -0.22 -0.02 0.00 -1.37 0.00 0.00 64.86 62.93 3m2p h ILE 77 Cb 1.19 1.14 -0.00 0.00 0.47 0.00 0.00 36.82 39.62 3m2p h ILE 77 CO 0.52 0.04 -0.09 0.77 -3.07 0.00 0.00 178.15 176.33 3m2p h SER 78 N 0.00 0.00 0.28 2.19 4.64 -2.02 -2.11 113.55 116.52 3m2p h SER 78 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3m2p h SER 78 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3m2p h SER 78 CO 0.01 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.43 3m2p n GLU 79 N -4.42 0.13 0.00 4.77 1.02 -0.63 -2.56 120.64 118.95 3m2p n GLU 79 Ca -0.03 0.52 0.02 0.00 -0.02 0.00 0.00 57.16 57.66 3m2p n GLU 79 Cb 0.17 -1.83 -0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3m2p n GLU 79 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3m2p n PHE 80 N -2.09 0.00 0.25 -0.32 3.01 -0.80 -4.62 117.46 112.89 3m2p n PHE 80 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.55 3m2p n PHE 80 Cb 0.10 0.00 0.63 0.00 -0.01 0.00 0.00 39.48 40.20 3m2p n PHE 80 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3m2p h HIS 81 N 0.54 0.00 -0.56 1.38 3.86 -1.48 -2.41 115.15 116.48 3m2p h HIS 81 Ca 0.00 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.12 3m2p h HIS 81 Cb 0.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 3m2p h HIS 81 CO 0.00 0.14 0.00 0.22 0.86 0.00 0.00 177.93 179.15 3m2p h ASP 82 N 0.00 0.96 -0.43 2.45 3.58 -1.82 -1.44 116.42 119.72 3m2p h ASP 82 Ca -0.00 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.18 3m2p h ASP 82 Cb 0.30 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.05 3m2p h ASP 82 CO 0.02 1.03 0.20 0.78 -2.88 0.00 0.00 179.24 178.39 3m2p h ASN 83 N 0.86 0.27 0.10 2.28 -0.26 -1.75 -0.59 115.58 116.49 3m2p h ASN 83 Ca 0.16 0.03 0.00 0.00 -0.56 0.00 0.00 56.30 55.93 3m2p h ASN 83 Cb 0.54 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 37.77 3m2p h ASN 83 CO 0.03 0.20 -0.10 -0.33 -1.06 0.00 0.00 177.43 176.17 3m2p h GLU 84 N 0.40 -0.21 0.16 0.81 5.08 -1.34 0.38 114.58 119.85 3m2p h GLU 84 Ca 0.19 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3m2p h GLU 84 Cb 0.12 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3m2p h GLU 84 CO -0.15 -0.14 -0.40 0.82 -1.00 0.00 0.00 179.01 178.14 3m2p h ILE 85 N -0.22 0.18 -0.60 3.13 2.04 -1.17 -1.85 117.51 119.02 3m2p h ILE 85 Ca 0.00 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.98 3m2p h ILE 85 Cb 0.21 0.18 -0.11 0.00 -0.74 0.00 0.00 36.82 36.36 3m2p h ILE 85 CO -0.02 0.00 -0.13 0.25 0.00 0.00 0.00 178.15 178.25 3m2p h LEU 86 N -0.66 -0.52 -0.64 1.44 6.46 -0.75 0.21 115.31 120.86 3m2p h LEU 86 Ca 0.02 0.18 0.05 0.00 -0.12 0.00 0.00 57.88 58.00 3m2p h LEU 86 Cb 0.67 0.36 -0.05 0.00 -0.73 0.00 0.00 40.66 40.91 3m2p h LEU 86 CO -0.21 -0.19 0.36 0.74 -0.62 0.00 0.00 178.44 178.52 3m2p h THR 87 N 0.01 0.99 -0.41 1.05 2.02 0.06 0.23 112.91 116.86 3m2p h THR 87 Ca 0.29 -0.23 -0.14 0.00 0.77 0.00 0.00 66.41 67.10 3m2p h THR 87 Cb 0.45 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3m2p h THR 87 CO -0.60 0.12 -0.30 -0.61 0.37 0.00 0.00 175.52 174.50 3m2p h GLN 88 N 0.68 0.92 -0.42 6.66 4.15 -0.30 -0.52 115.11 126.29 3m2p h GLN 88 Ca 0.28 -0.45 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 3m2p h GLN 88 Cb 0.15 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 3m2p h GLN 88 CO -0.17 1.11 0.22 -0.91 -1.93 0.00 0.00 178.83 177.15 3m2p h ASN 89 N 0.75 0.53 0.28 -0.69 -0.26 -0.24 0.50 115.58 116.46 3m2p h ASN 89 Ca 0.08 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 55.71 3m2p h ASN 89 Cb 0.89 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.99 3m2p h ASN 89 CO 0.08 0.48 -0.39 0.25 -1.06 0.00 0.00 177.43 176.79 3m2p h LEU 90 N 0.54 -1.11 -1.28 1.61 5.85 -0.41 0.20 115.31 120.71 3m2p h LEU 90 Ca 0.15 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.07 3m2p h LEU 90 Cb 0.07 0.38 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3m2p h LEU 90 CO -0.02 -0.48 0.55 1.88 -0.34 0.00 0.00 178.44 180.03 3m2p h TYR 91 N -0.70 0.86 -0.62 1.25 0.05 -0.99 0.19 116.97 117.01 3m2p h TYR 91 Ca -0.03 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.76 3m2p h TYR 91 Cb 0.63 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 3m2p h TYR 91 CO -0.28 0.39 0.35 -0.44 -1.05 0.00 0.00 178.16 177.13 3m2p h ASP 92 N 0.79 0.77 -0.96 3.88 3.32 -0.41 -1.32 116.42 122.50 3m2p h ASP 92 Ca 0.40 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3m2p h ASP 92 Cb 0.47 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3m2p h ASP 92 CO -0.16 0.63 0.62 0.00 -1.72 0.00 0.00 179.24 178.61 3m2p h ALA 93 N 1.17 1.22 -0.08 3.45 0.00 0.23 -2.01 119.26 123.22 3m2p h ALA 93 Ca 0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3m2p h ALA 93 Cb 0.03 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3m2p h ALA 93 CO -0.04 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.84 3m2p h TYR 95 N -0.14 -0.92 -0.44 0.00 3.20 -1.10 0.23 116.97 117.81 3m2p h TYR 95 Ca 0.02 0.06 0.11 0.00 3.14 0.00 0.00 58.73 62.07 3m2p h TYR 95 Cb 0.37 0.46 -0.02 0.00 1.54 0.00 0.00 36.73 39.08 3m2p h TYR 95 CO 0.04 -0.39 0.31 0.93 -1.64 0.00 0.00 178.16 177.41 3m2p h GLU 96 N -0.25 0.07 -0.33 1.82 4.39 -1.21 -0.84 114.58 118.22 3m2p h GLU 96 Ca 0.17 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 3m2p h GLU 96 Cb 0.54 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 3m2p h GLU 96 CO -0.55 0.04 0.00 0.09 -1.16 0.00 0.00 179.01 177.44 3m2p n ASN 97 N -4.43 3.10 -1.85 1.42 3.02 0.12 -4.95 115.26 111.70 3m2p n ASN 97 Ca 0.07 -1.94 -0.18 0.00 -0.03 0.00 0.00 54.58 52.50 3m2p n ASN 97 Cb 0.46 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.40 3m2p n ASN 97 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3m2p n ASN 98 N 1.27 -5.15 -4.68 6.41 5.15 0.58 -4.99 115.26 113.86 3m2p n ASN 98 Ca 0.19 0.09 -0.38 0.00 -0.60 0.00 0.00 54.58 53.87 3m2p n ASN 98 Cb 0.55 -4.22 -0.07 0.00 -0.53 0.00 0.00 39.78 35.52 3m2p n ASN 98 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3m2p s ILE 99 N -2.82 5.17 0.00 -1.44 1.01 -0.21 -4.95 121.20 117.96 3m2p s ILE 99 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 60.65 61.47 3m2p s ILE 99 Cb 0.00 -3.78 0.00 0.00 0.01 0.00 0.00 42.46 38.69 3m2p s ILE 99 CO 0.00 0.25 0.00 -1.54 0.00 0.00 0.00 174.94 173.65 3m2p n SER 100 N 4.39 3.70 -4.55 3.58 3.41 -1.26 -4.07 113.62 118.82 3m2p n SER 100 Ca -0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.13 3m2p n SER 100 Cb 0.51 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 65.06 3m2p n SER 100 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3m2p s ASN 101 N -1.79 6.10 -0.02 4.04 3.04 -1.26 0.30 114.94 125.36 3m2p s ASN 101 Ca 0.00 -0.42 0.03 0.00 0.04 0.00 0.00 52.86 52.51 3m2p s ASN 101 Cb 0.00 -2.56 -0.00 0.00 -1.54 0.00 0.00 41.25 37.15 3m2p s ASN 101 CO 0.00 -1.87 -0.10 -0.63 -3.04 0.00 0.00 177.10 171.46 3m2p s ILE 102 N 5.96 0.82 -0.08 -5.21 1.01 -1.18 -2.28 121.20 120.24 3m2p s ILE 102 Ca 0.38 -0.40 0.04 0.00 0.00 0.00 0.00 60.65 60.66 3m2p s ILE 102 Cb -0.08 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.67 3m2p s ILE 102 CO 0.15 0.25 -0.20 -0.69 0.00 0.00 0.00 174.94 174.44 3m2p s VAL 103 N 0.04 2.44 -0.14 2.92 1.01 -0.81 0.03 120.40 125.89 3m2p s VAL 103 Ca -0.01 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3m2p s VAL 103 Cb -0.07 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.38 3m2p s VAL 103 CO 0.00 0.56 -0.22 -0.47 0.00 0.00 0.00 175.10 174.97 3m2p s TYR 104 N -0.02 2.64 -0.76 5.22 5.04 -0.27 -0.26 117.35 128.93 3m2p s TYR 104 Ca -0.06 -1.31 -0.26 0.00 -2.44 0.00 0.00 57.07 53.00 3m2p s TYR 104 Cb -0.15 -1.79 0.01 0.00 0.35 0.00 0.00 41.96 40.38 3m2p s TYR 104 CO 0.05 -0.59 1.53 0.00 -1.34 0.00 0.00 175.55 175.20 3m2p s ALA 105 N 0.78 2.48 0.01 3.97 0.00 -1.03 -1.48 121.76 126.48 3m2p s ALA 105 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 51.96 50.56 3m2p s ALA 105 Cb -0.16 -4.34 0.00 0.00 0.00 0.00 0.00 23.12 18.62 3m2p s ALA 105 CO -0.01 -3.65 0.00 0.45 0.00 0.00 0.00 175.76 172.55 3m2p n SER 106 N 10.68 0.00 -3.91 0.00 2.88 0.67 -4.96 113.62 118.99 3m2p n SER 106 Ca 0.16 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.61 3m2p n SER 106 Cb 0.50 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 3m2p n SER 106 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3m2p s THR 107 N 2.24 0.15 -0.94 2.46 -1.32 -1.26 -2.29 115.64 114.68 3m2p s THR 107 Ca 0.00 -1.22 0.28 0.00 -1.21 0.00 0.00 61.69 59.55 3m2p s THR 107 Cb 0.00 -1.20 0.25 0.00 -1.51 0.00 0.00 72.50 70.04 3m2p s THR 107 CO 0.00 -0.67 1.89 0.00 -2.21 0.00 0.00 174.62 173.63 3m2p n ILE 108 N 0.28 0.15 1.79 5.08 3.06 0.97 -3.07 119.36 127.61 3m2p n ILE 108 Ca -0.16 -0.07 0.06 0.00 -2.50 0.00 0.00 62.75 60.08 3m2p n ILE 108 Cb 0.61 -0.52 0.34 0.00 0.54 0.00 0.00 39.64 40.60 3m2p n ILE 108 CO 0.00 0.00 0.00 -1.20 -2.50 0.00 0.00 176.55 172.85 3m2p n SER 109 N -1.68 0.00 0.23 9.51 7.64 -1.26 -1.99 113.62 126.07 3m2p n SER 109 Ca 0.07 -1.44 0.10 0.00 1.01 0.00 0.00 58.87 58.61 3m2p n SER 109 Cb 0.36 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.08 3m2p n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3m2p h ALA 110 N 3.18 1.09 -3.05 -0.43 0.00 -1.85 -3.38 119.26 114.82 3m2p h ALA 110 Ca 0.00 -0.19 -0.62 0.00 0.00 0.00 0.00 54.91 54.10 3m2p h ALA 110 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.66 3m2p h ALA 110 CO 0.00 0.27 -0.62 0.71 0.00 0.00 0.00 179.25 179.61 3m2p s TYR 111 N -3.80 3.07 0.00 0.00 2.02 -0.84 -1.84 117.35 115.97 3m2p s TYR 111 Ca -0.00 -0.01 0.00 0.00 -0.37 0.00 0.00 57.07 56.69 3m2p s TYR 111 Cb 0.11 -1.53 0.00 0.00 -0.40 0.00 0.00 41.96 40.14 3m2p s TYR 111 CO 0.63 0.51 0.00 -1.13 -1.57 0.00 0.00 175.55 173.99 3m2p n SER 112 N 0.18 0.00 -4.60 2.29 3.41 -1.20 -4.76 113.62 108.94 3m2p n SER 112 Ca -0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.09 3m2p n SER 112 Cb 0.53 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3m2p n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3m2p s ASP 113 N -1.67 5.90 0.52 4.04 2.15 -1.26 -4.85 116.67 121.49 3m2p s ASP 113 Ca 0.00 1.22 0.29 0.00 0.43 0.00 0.00 52.55 54.50 3m2p s ASP 113 Cb 0.00 -2.53 1.35 0.00 -0.30 0.00 0.00 42.92 41.44 3m2p s ASP 113 CO 0.00 -1.72 2.00 -0.33 -0.17 0.00 0.00 175.17 174.95 3m2p h GLU 114 N 12.80 0.00 -0.51 4.34 5.08 -1.98 -2.48 114.58 131.83 3m2p h GLU 114 Ca -0.33 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.18 3m2p h GLU 114 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3m2p h GLU 114 CO 1.04 0.11 0.48 1.15 -1.00 0.00 0.00 179.01 180.80 3m2p h THR 115 N 0.00 0.44 -0.01 1.13 2.02 -2.00 -3.17 112.91 111.33 3m2p h THR 115 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3m2p h THR 115 Cb 0.48 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 3m2p h THR 115 CO 0.01 0.00 -0.68 -0.24 0.37 0.00 0.00 175.52 174.99 3m2p n SER 116 N -3.87 1.22 -4.68 4.18 2.88 -0.93 -5.01 113.62 107.40 3m2p n SER 116 Ca 0.10 -1.11 -0.40 0.00 -1.33 0.00 0.00 58.87 56.13 3m2p n SER 116 Cb 0.69 0.80 0.02 0.00 -0.75 0.00 0.00 64.21 64.97 3m2p n SER 116 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3m2p n LEU 117 N -0.91 4.07 -4.78 2.46 4.77 -1.20 -4.23 117.00 117.18 3m2p n LEU 117 Ca 0.05 1.03 -0.35 0.00 -0.03 0.00 0.00 56.01 56.71 3m2p n LEU 117 Cb 0.33 -1.48 -0.01 0.00 -2.33 0.00 0.00 43.42 39.93 3m2p n LEU 117 CO 0.32 -0.93 0.77 -2.16 -1.33 0.00 0.00 177.39 174.06 3m2p s PRO 118 N -2.39 3.48 -0.12 3.23 0.04 -1.26 -5.11 135.00 132.87 3m2p s PRO 118 Ca 0.65 1.57 -0.24 0.00 0.04 0.00 0.00 61.00 63.02 3m2p s PRO 118 Cb -0.48 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3m2p s PRO 118 CO 0.55 -0.74 0.76 -1.58 0.04 0.00 0.00 177.00 176.02 3m2p s TRP 119 N -1.80 3.49 0.45 0.56 0.51 -0.90 -4.63 118.94 116.63 3m2p s TRP 119 Ca 0.71 1.23 0.08 0.00 -2.12 0.00 0.00 56.10 55.99 3m2p s TRP 119 Cb -0.23 -2.90 -0.00 0.00 -0.81 0.00 0.00 33.47 29.53 3m2p s TRP 119 CO 0.26 -0.08 0.43 0.54 -0.51 0.00 0.00 176.95 177.59 3m2p s ASN 120 N 1.01 5.03 0.00 2.95 4.22 -1.26 -0.31 114.94 126.57 3m2p s ASN 120 Ca 0.37 -0.81 0.13 0.00 -2.14 0.00 0.00 52.86 50.42 3m2p s ASN 120 Cb -0.17 -0.35 0.80 0.00 1.28 0.00 0.00 41.25 42.80 3m2p s ASN 120 CO 0.15 -0.79 1.22 -0.62 -2.04 0.00 0.00 177.10 175.03 3m2p n GLU 121 N -1.66 0.51 0.02 3.55 4.71 -1.26 -0.68 120.64 125.83 3m2p n GLU 121 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.30 3m2p n GLU 121 Cb 0.62 -1.41 0.02 0.00 -1.01 0.00 0.00 31.44 29.67 3m2p n GLU 121 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3m2p n LYS 122 N -0.91 0.20 -1.96 3.49 4.76 -1.26 -4.92 118.16 117.57 3m2p n LYS 122 Ca 0.10 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.11 3m2p n LYS 122 Cb 0.05 -1.56 -0.03 0.00 -1.84 0.00 0.00 35.03 31.65 3m2p n LYS 122 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 3m2p s GLU 123 N -3.14 4.22 0.06 1.97 2.56 0.14 -4.94 118.70 119.57 3m2p s GLU 123 Ca 0.05 2.32 -0.34 0.00 0.00 0.00 0.00 54.97 57.00 3m2p s GLU 123 Cb 0.15 -3.38 -0.13 0.00 2.00 0.00 0.00 34.13 32.77 3m2p s GLU 123 CO 0.80 -0.65 1.68 1.28 -0.56 0.00 0.00 175.26 177.81 3m2p n LEU 124 N 4.78 3.14 -4.76 2.70 4.77 -1.26 -4.92 117.00 121.44 3m2p n LEU 124 Ca 0.15 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.76 3m2p n LEU 124 Cb 0.40 -1.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.09 3m2p n LEU 124 CO 0.62 -0.24 1.17 -2.84 -1.33 0.00 0.00 177.39 174.76 3m2p s PRO 125 N 2.06 4.15 -0.43 3.23 0.02 -1.26 -4.88 135.00 137.89 3m2p s PRO 125 Ca 0.84 2.52 0.06 0.00 0.02 0.00 0.00 61.00 64.45 3m2p s PRO 125 Cb -0.70 -3.02 0.21 0.00 0.02 0.00 0.00 34.50 31.01 3m2p s PRO 125 CO 0.44 -0.54 0.52 -0.11 -0.33 0.00 0.00 177.00 176.98 3m2p n LEU 126 N 1.45 -0.92 -4.67 -5.54 7.94 -0.77 -5.03 117.00 109.46 3m2p n LEU 126 Ca 0.05 -4.18 -0.38 0.00 -1.11 0.00 0.00 56.01 50.39 3m2p n LEU 126 Cb 0.39 0.65 0.04 0.00 0.53 0.00 0.00 43.42 45.03 3m2p n LEU 126 CO 0.63 1.97 0.75 -2.65 -1.11 0.00 0.00 177.39 176.98 3m2p n PRO 127 N 2.17 1.29 0.00 1.96 -0.02 -1.20 -3.25 135.00 135.95 3m2p n PRO 127 Ca 0.23 0.48 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3m2p n PRO 127 Cb 0.53 -2.34 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 3m2p n PRO 127 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3m2p n ASP 128 N -0.77 0.70 0.00 2.55 2.03 -1.26 -4.95 116.55 114.84 3m2p n ASP 128 Ca 0.12 -0.85 0.00 0.00 0.52 0.00 0.00 54.79 54.58 3m2p n ASP 128 Cb 0.45 0.58 0.00 0.00 -0.72 0.00 0.00 41.12 41.44 3m2p n ASP 128 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3m2p n LEU 129 N -0.53 0.00 0.00 -2.67 4.77 -1.26 -5.03 117.00 112.28 3m2p n LEU 129 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3m2p n LEU 129 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 3m2p n LEU 129 CO 0.06 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.12 3m2p n TYR 131 N 0.00 0.00 -0.03 -1.77 9.36 -1.26 -1.78 117.16 121.68 3m2p n TYR 131 Ca 0.00 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.12 3m2p n TYR 131 Cb 0.00 0.00 -0.04 0.00 -0.63 0.00 0.00 39.34 38.67 3m2p n TYR 131 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 3m2p h GLY 132 N 0.00 0.21 0.57 2.98 0.00 -1.96 -2.67 103.07 102.19 3m2p h GLY 132 Ca 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 47.33 47.39 3m2p h GLY 132 CO 0.00 0.05 0.61 -2.08 0.00 0.00 0.00 176.54 175.12 3m2p h VAL 133 N 0.17 0.93 -0.14 4.60 2.07 -1.67 -2.12 116.25 120.09 3m2p h VAL 133 Ca 0.06 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.09 3m2p h VAL 133 Cb 0.01 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 29.69 3m2p h VAL 133 CO -0.04 0.17 -0.64 -1.28 0.02 0.00 0.00 177.57 175.79 3m2p h SER 134 N 0.94 0.62 -0.03 0.57 0.87 -1.80 -2.36 113.55 112.36 3m2p h SER 134 Ca 0.46 -0.37 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3m2p h SER 134 Cb 0.48 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.24 3m2p h SER 134 CO -0.23 1.10 -0.25 0.11 -0.53 0.00 0.00 176.83 177.04 3m2p h LYS 135 N 0.39 0.44 -0.69 2.24 1.79 -1.07 -1.77 116.57 117.90 3m2p h LYS 135 Ca -0.01 -0.16 -0.04 0.00 -2.18 0.00 0.00 60.65 58.25 3m2p h LYS 135 Cb 1.21 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 31.80 3m2p h LYS 135 CO 0.12 0.66 0.27 -0.07 -1.08 0.00 0.00 179.45 179.35 3m2p h LEU 136 N 0.39 0.94 -0.06 2.94 3.38 -1.16 -0.46 115.31 121.29 3m2p h LEU 136 Ca 0.06 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m2p h LEU 136 Cb 0.65 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3m2p h LEU 136 CO 0.05 0.84 -0.01 0.00 0.09 0.00 0.00 178.44 179.42 3m2p h ALA 137 N 1.29 0.08 -0.81 1.53 0.00 -0.82 -1.42 119.26 119.11 3m2p h ALA 137 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3m2p h ALA 137 Cb 0.20 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3m2p h ALA 137 CO -0.02 -0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.44 3m2p h GLU 139 N 1.14 -0.05 0.01 0.00 5.08 -0.91 -1.89 114.58 117.96 3m2p h GLU 139 Ca 0.29 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.44 3m2p h GLU 139 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3m2p h GLU 139 CO -0.05 -0.03 -0.91 0.45 -1.00 0.00 0.00 179.01 177.47 3m2p h HIS 140 N -0.05 0.35 -0.80 4.33 3.86 -0.21 -0.21 115.15 122.41 3m2p h HIS 140 Ca 0.21 -0.19 0.08 0.00 -1.16 0.00 0.00 60.37 59.31 3m2p h HIS 140 Cb 0.38 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.74 3m2p h HIS 140 CO -0.42 1.02 0.46 0.82 0.86 0.00 0.00 177.93 180.67 3m2p h ILE 141 N 0.12 0.94 -0.33 2.45 2.04 -0.35 0.19 117.51 122.58 3m2p h ILE 141 Ca -0.05 -0.27 -0.15 0.00 1.00 0.00 0.00 64.86 65.39 3m2p h ILE 141 Cb 1.55 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3m2p h ILE 141 CO 0.14 0.15 -0.38 1.23 0.00 0.00 0.00 178.15 179.29 3m2p h GLY 142 N 0.80 0.85 0.97 5.37 0.00 -0.98 -1.63 103.07 108.45 3m2p h GLY 142 Ca 0.38 -0.85 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 3m2p h GLY 142 CO -0.23 0.77 -0.21 3.43 0.00 0.00 0.00 176.54 180.31 3m2p h ASN 143 N 0.65 -0.49 -0.50 0.19 -0.26 -0.22 -0.11 115.58 114.83 3m2p h ASN 143 Ca 0.06 -0.01 0.09 0.00 -0.56 0.00 0.00 56.30 55.88 3m2p h ASN 143 Cb 0.93 0.13 -0.10 0.00 -1.06 0.00 0.00 38.32 38.22 3m2p h ASN 143 CO 0.09 -0.32 -0.31 0.40 -1.06 0.00 0.00 177.43 176.22 3m2p h ILE 144 N -0.62 0.22 -0.99 2.81 2.04 -0.59 -0.24 117.51 120.13 3m2p h ILE 144 Ca -0.06 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.93 3m2p h ILE 144 Cb 0.47 0.22 -0.09 0.00 -0.74 0.00 0.00 36.82 36.68 3m2p h ILE 144 CO 0.10 0.00 0.61 1.88 0.00 0.00 0.00 178.15 180.74 3m2p h TYR 145 N -0.19 1.10 0.11 1.37 -1.99 -1.11 0.19 116.97 116.45 3m2p h TYR 145 Ca 0.21 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.97 3m2p h TYR 145 Cb 0.53 -0.35 0.00 0.00 2.00 0.00 0.00 36.73 38.92 3m2p h TYR 145 CO -0.58 0.40 -0.05 0.77 -0.00 0.00 0.00 178.16 178.70 3m2p h SER 146 N 0.93 -0.13 -0.27 3.88 0.02 0.38 0.32 113.55 118.69 3m2p h SER 146 Ca 0.51 -0.21 -0.06 0.00 -0.84 0.00 0.00 61.79 61.19 3m2p h SER 146 Cb 0.56 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3m2p h SER 146 CO -0.29 0.14 -0.07 0.03 -1.14 0.00 0.00 176.83 175.50 3m2p h ARG 147 N -0.40 0.53 0.12 3.45 3.08 -0.78 -2.67 114.38 117.71 3m2p h ARG 147 Ca -0.02 -0.20 -0.36 0.00 0.07 0.00 0.00 59.98 59.47 3m2p h ARG 147 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3m2p h ARG 147 CO 0.03 0.74 -1.98 1.63 -1.07 0.00 0.00 179.97 179.31 3m2p n LYS 148 N -4.51 0.75 -0.16 0.04 5.02 0.63 -4.36 118.16 115.57 3m2p n LYS 148 Ca -0.03 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.64 3m2p n LYS 148 Cb 0.31 -1.71 0.19 0.00 -0.02 0.00 0.00 35.03 33.80 3m2p n LYS 148 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3m2p n LYS 149 N -3.52 2.39 -1.27 1.97 5.02 0.11 -4.96 118.16 117.90 3m2p n LYS 149 Ca -0.32 -2.18 -0.09 0.00 -2.02 0.00 0.00 58.31 53.70 3m2p n LYS 149 Cb 1.03 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.52 3m2p n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3m2p n GLY 150 N 1.39 1.09 3.64 0.72 0.00 -0.85 -4.95 105.19 106.23 3m2p n GLY 150 Ca 0.18 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3m2p n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m2p s LEU 151 N -2.11 1.49 -0.47 0.99 1.02 -1.14 -4.92 118.68 113.55 3m2p s LEU 151 Ca 0.00 1.29 0.09 0.00 0.02 0.00 0.00 54.13 55.53 3m2p s LEU 151 Cb 0.00 -3.44 0.34 0.00 0.02 0.00 0.00 46.19 43.11 3m2p s LEU 151 CO 0.00 -3.34 0.82 0.00 0.02 0.00 0.00 176.35 173.85 3m2p s ILE 153 N -3.27 4.06 -0.29 0.00 1.01 -1.26 -3.09 121.20 118.37 3m2p s ILE 153 Ca 0.44 1.84 0.01 0.00 0.00 0.00 0.00 60.65 62.94 3m2p s ILE 153 Cb 0.30 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.67 3m2p s ILE 153 CO -0.10 0.34 -0.03 -0.54 0.00 0.00 0.00 174.94 174.61 3m2p s LYS 154 N -0.54 2.16 -0.35 2.79 1.02 0.11 -2.00 119.74 122.93 3m2p s LYS 154 Ca 0.46 -1.44 -0.29 0.00 0.02 0.00 0.00 55.97 54.73 3m2p s LYS 154 Cb -0.27 -3.07 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 3m2p s LYS 154 CO 0.33 -0.67 1.10 -0.80 -0.92 0.00 0.00 175.35 174.39 3m2p s ASN 155 N 1.16 6.86 -0.39 2.83 0.02 0.81 -1.11 114.94 125.12 3m2p s ASN 155 Ca -0.04 0.95 -0.11 0.00 -1.02 0.00 0.00 52.86 52.65 3m2p s ASN 155 Cb -0.20 -2.54 0.04 0.00 0.02 0.00 0.00 41.25 38.57 3m2p s ASN 155 CO -0.04 -0.96 0.23 -0.76 0.02 0.00 0.00 177.10 175.59 3m2p s LEU 156 N 3.85 4.89 -0.77 0.60 1.43 -0.55 0.94 118.68 129.06 3m2p s LEU 156 Ca 0.47 -1.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.18 3m2p s LEU 156 Cb -0.11 -2.02 0.06 0.00 0.03 0.00 0.00 46.19 44.14 3m2p s LEU 156 CO 0.19 -0.44 1.18 -0.13 0.23 0.00 0.00 176.35 177.38 3m2p s ARG 157 N 1.53 3.26 0.42 1.70 0.52 0.17 -0.23 118.95 126.31 3m2p s ARG 157 Ca 0.02 -0.72 -0.23 0.00 -0.52 0.00 0.00 55.73 54.29 3m2p s ARG 157 Cb -0.20 -4.44 -0.09 0.00 0.52 0.00 0.00 34.95 30.73 3m2p s ARG 157 CO 0.06 -2.01 1.03 -0.06 0.02 0.00 0.00 175.30 174.33 3m2p s PHE 158 N 4.76 3.23 0.64 -0.53 0.08 -0.97 -0.78 117.98 124.41 3m2p s PHE 158 Ca 0.32 1.63 -0.11 0.00 0.12 0.00 0.00 56.93 58.89 3m2p s PHE 158 Cb -0.10 -3.06 0.15 0.00 -0.57 0.00 0.00 43.02 39.44 3m2p s PHE 158 CO 0.07 -0.55 0.83 0.00 -0.10 0.00 0.00 175.22 175.47 3m2p n ALA 159 N -0.33 -1.10 -1.95 5.36 0.00 -1.07 -0.02 120.51 121.40 3m2p n ALA 159 Ca 0.06 -1.09 -0.42 0.00 0.00 0.00 0.00 53.44 51.99 3m2p n ALA 159 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 3m2p n ALA 159 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3m2p s HIS 160 N -2.78 2.32 0.05 0.00 3.76 -0.99 -4.79 115.29 112.87 3m2p s HIS 160 Ca 0.47 0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 55.61 3m2p s HIS 160 Cb -0.02 -3.95 -0.05 0.00 1.11 0.00 0.00 32.58 29.67 3m2p s HIS 160 CO 0.34 -3.86 0.31 -0.51 -0.85 0.00 0.00 174.74 170.17 3m2p s LEU 161 N 2.93 4.35 0.07 0.89 1.43 -1.26 -0.22 118.68 126.87 3m2p s LEU 161 Ca 0.74 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 54.44 3m2p s LEU 161 Cb -0.38 -2.86 -0.04 0.00 0.03 0.00 0.00 46.19 42.94 3m2p s LEU 161 CO 0.32 0.20 -0.03 -0.72 0.23 0.00 0.00 176.35 176.35 3m2p s TYR 162 N -1.39 0.66 0.00 0.29 1.13 -1.18 -4.91 117.35 111.95 3m2p s TYR 162 Ca 0.31 -1.04 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 3m2p s TYR 162 Cb -0.13 -0.44 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 3m2p s TYR 162 CO 0.18 -0.32 0.00 0.41 -2.51 0.00 0.00 175.55 173.31 3m2p n GLY 163 N 0.05 1.53 3.71 5.49 0.00 -1.26 -1.82 105.19 112.89 3m2p n GLY 163 Ca -0.13 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3m2p n GLY 163 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3m2p s PHE 164 N -1.83 3.47 -0.82 1.61 5.36 -1.26 -4.51 117.98 120.00 3m2p s PHE 164 Ca 0.00 0.77 -0.01 0.00 -0.96 0.00 0.00 56.93 56.72 3m2p s PHE 164 Cb 0.00 -2.50 -0.02 0.00 -0.34 0.00 0.00 43.02 40.16 3m2p s PHE 164 CO 0.00 0.14 0.70 -1.71 -1.46 0.00 0.00 175.22 172.89 3m2p n ASN 165 N 3.84 -3.15 -4.74 6.13 5.15 -1.26 -5.03 115.26 116.19 3m2p n ASN 165 Ca -0.08 -0.47 -0.36 0.00 -0.60 0.00 0.00 54.58 53.08 3m2p n ASN 165 Cb 0.51 -3.84 -0.08 0.00 -0.53 0.00 0.00 39.78 35.84 3m2p n ASN 165 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 3m2p s GLU 166 N -4.64 3.27 -0.46 1.20 2.12 -1.26 -5.09 118.70 113.83 3m2p s GLU 166 Ca 0.11 -0.31 -0.17 0.00 0.36 0.00 0.00 54.97 54.97 3m2p s GLU 166 Cb -0.01 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.44 3m2p s GLU 166 CO 0.53 0.67 0.48 0.15 -0.54 0.00 0.00 175.26 176.54 3m2p s LYS 167 N -0.76 3.06 0.00 4.30 -0.14 -1.26 -4.93 119.74 120.00 3m2p s LYS 167 Ca 0.12 -1.01 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 3m2p s LYS 167 Cb -0.12 -4.07 0.00 0.00 -1.68 0.00 0.00 37.83 31.97 3m2p s LYS 167 CO 0.03 -1.02 0.00 0.27 -0.76 0.00 0.00 175.35 173.86 3m2p n ASN 168 N 5.63 0.00 0.00 2.83 0.23 -1.26 -5.18 115.26 117.51 3m2p n ASN 168 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 3m2p n ASN 168 Cb 0.45 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.15 3m2p n ASN 168 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3m2p n ASN 169 N 0.00 0.00 0.00 0.53 0.23 -1.26 -4.53 115.26 110.23 3m2p n ASN 169 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3m2p n ASN 169 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3m2p n ASN 169 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3m2p n TYR 170 N 0.00 0.00 0.00 -2.53 0.18 -1.26 -0.09 117.16 113.46 3m2p n TYR 170 Ca 0.00 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.78 3m2p n TYR 170 Cb 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 3m2p n TYR 170 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3m2p n ILE 172 N -0.17 0.00 -0.26 -3.48 2.08 -1.26 -1.71 119.36 114.56 3m2p n ILE 172 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 3m2p n ILE 172 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 39.64 38.83 3m2p n ILE 172 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3m2p n ASN 173 N 0.00 -0.65 -0.34 4.38 3.02 0.87 -0.52 115.26 122.02 3m2p n ASN 173 Ca 0.00 1.37 0.08 0.00 -0.03 0.00 0.00 54.58 56.00 3m2p n ASN 173 Cb 0.00 -0.28 0.25 0.00 -0.61 0.00 0.00 39.78 39.14 3m2p n ASN 173 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 3m2p h ARG 174 N 0.00 0.82 -0.26 3.52 -0.00 -1.60 0.24 114.38 117.10 3m2p h ARG 174 Ca 0.10 -0.05 0.01 0.00 -0.50 0.00 0.00 59.98 59.54 3m2p h ARG 174 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.02 3m2p h ARG 174 CO -0.58 0.55 0.14 0.74 0.00 0.00 0.00 179.97 180.82 3m2p h PHE 175 N 0.85 0.27 0.00 3.04 0.04 -1.06 -0.17 116.94 119.91 3m2p h PHE 175 Ca 0.50 0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.28 3m2p h PHE 175 Cb 0.61 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.68 3m2p h PHE 175 CO -0.03 0.16 0.00 1.19 -0.60 0.00 0.00 178.31 179.03 3m2p n PHE 176 N -4.95 0.00 0.00 -0.55 3.72 0.32 -0.37 117.46 115.63 3m2p n PHE 176 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3m2p n PHE 176 Cb 0.05 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.27 3m2p n PHE 176 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3m2p n ARG 177 N -1.48 0.00 -0.03 -1.08 1.74 0.67 -1.07 116.66 115.40 3m2p n ARG 177 Ca 0.00 0.34 -0.10 0.00 -0.77 0.00 0.00 57.85 57.32 3m2p n ARG 177 Cb 0.00 -0.59 -0.07 0.00 -1.02 0.00 0.00 32.46 30.79 3m2p n ARG 177 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3m2p h GLN 178 N 0.00 -0.36 0.00 5.56 4.20 -1.15 -3.51 115.11 119.85 3m2p h GLN 178 Ca 0.00 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3m2p h GLN 178 Cb 0.00 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.86 3m2p h GLN 178 CO 0.00 -0.24 0.21 0.00 -0.67 0.00 0.00 178.83 178.13 3m2p n ALA 179 N -2.90 0.45 0.00 3.87 0.00 0.51 -4.98 120.51 117.46 3m2p n ALA 179 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3m2p n ALA 179 Cb 0.25 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.31 3m2p n ALA 179 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3m2p n SER 191 N -1.04 0.00 0.00 0.00 7.64 -1.26 -5.05 113.62 113.91 3m2p n SER 191 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3m2p n SER 191 Cb 0.21 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3m2p n SER 191 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3m2p n VAL 192 N 0.00 0.00 -1.83 0.44 3.14 -1.26 -4.81 118.33 114.01 3m2p n VAL 192 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 3m2p n VAL 192 Cb 0.00 -0.85 0.03 0.00 -1.06 0.00 0.00 33.84 31.96 3m2p n VAL 192 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3m2p s ALA 193 N -2.00 2.91 -0.09 1.55 0.00 -1.26 -4.89 121.76 117.98 3m2p s ALA 193 Ca 0.00 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.29 3m2p s ALA 193 Cb 0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 3m2p s ALA 193 CO 0.00 -1.28 -0.11 0.15 0.00 0.00 0.00 175.76 174.52 3m2p s LYS 194 N -2.81 2.94 -0.00 0.00 1.02 -1.26 -4.00 119.74 115.63 3m2p s LYS 194 Ca 0.69 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 56.06 3m2p s LYS 194 Cb -0.40 -2.55 -0.01 0.00 -0.52 0.00 0.00 37.83 34.35 3m2p s LYS 194 CO 0.48 0.47 -0.09 1.03 -0.92 0.00 0.00 175.35 176.32 3m2p s ARG 195 N -0.31 0.74 -0.38 1.68 0.52 0.33 -0.45 118.95 121.08 3m2p s ARG 195 Ca 0.03 -0.35 -0.24 0.00 -0.52 0.00 0.00 55.73 54.65 3m2p s ARG 195 Cb -0.13 -0.71 0.01 0.00 0.52 0.00 0.00 34.95 34.64 3m2p s ARG 195 CO 0.03 0.19 0.83 -2.00 0.02 0.00 0.00 175.30 174.36 3m2p s GLU 196 N -0.29 3.71 -0.17 3.54 2.12 0.27 -0.31 118.70 127.58 3m2p s GLU 196 Ca 0.03 0.31 -0.08 0.00 0.36 0.00 0.00 54.97 55.59 3m2p s GLU 196 Cb -0.04 -3.83 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 3m2p s GLU 196 CO -0.00 -0.93 0.10 -0.06 -0.54 0.00 0.00 175.26 173.83 3m2p s PHE 197 N 3.25 3.38 -0.17 5.30 0.40 -0.48 -2.34 117.98 127.32 3m2p s PHE 197 Ca 0.33 0.27 -0.00 0.00 -0.60 0.00 0.00 56.93 56.93 3m2p s PHE 197 Cb -0.13 -2.07 0.04 0.00 0.51 0.00 0.00 43.02 41.37 3m2p s PHE 197 CO 0.19 0.33 -0.06 -1.17 0.70 0.00 0.00 175.22 175.21 3m2p s LEU 198 N 0.05 1.72 0.04 -0.37 2.96 0.69 -4.56 118.68 119.20 3m2p s LEU 198 Ca 0.08 -0.70 -0.35 0.00 -0.22 0.00 0.00 54.13 52.94 3m2p s LEU 198 Cb -0.12 -0.96 -0.14 0.00 0.50 0.00 0.00 46.19 45.47 3m2p s LEU 198 CO -0.00 -0.18 1.63 0.00 -1.32 0.00 0.00 176.35 176.48 3m2p n TYR 199 N 4.85 2.12 -0.15 5.38 9.36 -1.26 -3.13 117.16 134.33 3m2p n TYR 199 Ca -0.12 0.29 0.16 0.00 3.32 0.00 0.00 57.90 61.55 3m2p n TYR 199 Cb 0.47 -2.53 0.52 0.00 -0.63 0.00 0.00 39.34 37.18 3m2p n TYR 199 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3m2p h ALA 200 N 6.64 2.15 -0.59 2.98 0.00 -1.74 0.25 119.26 128.95 3m2p h ALA 200 Ca -0.46 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3m2p h ALA 200 Cb 1.28 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 3m2p h ALA 200 CO 0.89 -0.35 0.34 -0.22 0.00 0.00 0.00 179.25 179.91 3m2p h LYS 201 N 0.37 0.81 -0.57 0.00 3.64 -1.89 0.56 116.57 119.50 3m2p h LYS 201 Ca 0.36 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.56 3m2p h LYS 201 Cb 0.87 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 3m2p h LYS 201 CO -0.11 0.61 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.22 3m2p h ASP 202 N 0.80 0.97 -0.07 4.20 3.32 -0.96 0.20 116.42 124.87 3m2p h ASP 202 Ca 0.21 -0.27 -0.08 0.00 0.02 0.00 0.00 57.03 56.90 3m2p h ASP 202 Cb 0.02 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3m2p h ASP 202 CO -0.04 1.03 -0.20 0.00 -1.72 0.00 0.00 179.24 178.32 3m2p h ALA 203 N 1.06 1.19 -0.30 3.45 0.00 -0.64 -1.06 119.26 122.97 3m2p h ALA 203 Ca 0.16 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3m2p h ALA 203 Cb 0.55 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3m2p h ALA 203 CO 0.03 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.69 3m2p h ALA 204 N 1.38 0.41 -0.63 0.00 0.00 -0.50 -2.53 119.26 117.40 3m2p h ALA 204 Ca 0.07 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.80 3m2p h ALA 204 Cb 0.58 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 3m2p h ALA 204 CO 0.04 0.27 0.08 -0.22 0.00 0.00 0.00 179.25 179.42 3m2p h LYS 205 N 0.36 0.19 -0.21 0.00 3.64 -0.51 -0.08 116.57 119.96 3m2p h LYS 205 Ca 0.07 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3m2p h LYS 205 Cb 0.61 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 3m2p h LYS 205 CO 0.04 0.12 -0.05 0.66 -2.27 0.00 0.00 179.45 177.95 3m2p h SER 206 N 0.19 0.29 -0.17 4.20 4.64 -1.03 -0.08 113.55 121.60 3m2p h SER 206 Ca 0.33 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 3m2p h SER 206 Cb 0.53 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 3m2p h SER 206 CO -0.47 0.39 0.02 0.58 -0.87 0.00 0.00 176.83 176.48 3m2p h VAL 207 N 0.30 1.23 -0.86 0.95 2.07 -0.75 0.32 116.25 119.50 3m2p h VAL 207 Ca 0.07 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 66.96 3m2p h VAL 207 Cb 0.29 1.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 3m2p h VAL 207 CO 0.01 0.22 0.49 0.40 0.02 0.00 0.00 177.57 178.71 3m2p h ILE 208 N 0.06 0.86 -0.02 4.57 1.08 -0.12 -0.64 117.51 123.31 3m2p h ILE 208 Ca 0.05 -0.27 -0.23 0.00 -0.39 0.00 0.00 64.86 64.02 3m2p h ILE 208 Cb 0.32 0.02 0.02 0.00 -3.07 0.00 0.00 36.82 34.10 3m2p h ILE 208 CO 0.00 0.14 -0.89 1.88 -0.69 0.00 0.00 178.15 178.60 3m2p h TYR 209 N 0.78 0.92 -0.85 1.37 -1.99 -0.89 -2.94 116.97 113.37 3m2p h TYR 209 Ca 0.43 -0.49 0.09 0.00 2.00 0.00 0.00 58.73 60.76 3m2p h TYR 209 Cb 0.46 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 39.03 3m2p h TYR 209 CO -0.06 1.32 0.55 0.00 -0.00 0.00 0.00 178.16 179.97 3m2p h ALA 210 N 0.39 1.66 0.00 3.88 0.00 -0.11 -1.92 119.26 123.16 3m2p h ALA 210 Ca -0.11 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3m2p h ALA 210 Cb 1.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3m2p h ALA 210 CO 0.18 0.18 -0.28 1.25 0.00 0.00 0.00 179.25 180.58 3m2p h LEU 211 N 0.85 0.00 -1.14 0.00 5.85 -0.95 -2.19 115.31 117.73 3m2p h LEU 211 Ca 0.38 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 59.06 3m2p h LEU 211 Cb 0.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3m2p h LEU 211 CO -0.15 0.28 0.10 0.11 -0.34 0.00 0.00 178.44 178.44 3m2p h LYS 212 N 0.00 0.71 -2.72 1.25 1.57 -1.18 -3.18 116.57 113.01 3m2p h LYS 212 Ca -0.00 -0.14 -0.54 0.00 -1.87 0.00 0.00 60.65 58.10 3m2p h LYS 212 Cb 0.51 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.71 3m2p h LYS 212 CO 0.04 0.65 2.70 1.04 -0.57 0.00 0.00 179.45 183.30 3m2p n GLN 213 N -4.29 3.24 0.02 3.15 1.13 -0.82 -4.71 117.38 115.09 3m2p n GLN 213 Ca 0.03 -1.87 0.01 0.00 -1.94 0.00 0.00 57.00 53.23 3m2p n GLN 213 Cb 0.22 -2.58 0.07 0.00 0.11 0.00 0.00 30.24 28.06 3m2p n GLN 213 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 3m2p n GLU 214 N 3.28 0.02 0.00 -1.09 0.28 -1.20 -1.34 120.64 120.58 3m2p n GLU 214 Ca 0.69 0.49 0.03 0.00 -0.16 0.00 0.00 57.16 58.21 3m2p n GLU 214 Cb 0.42 -1.59 -0.01 0.00 1.43 0.00 0.00 31.44 31.69 3m2p n GLU 214 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 3m2p n LYS 215 N -1.57 3.21 -3.14 3.44 3.00 -1.26 -4.39 118.16 117.45 3m2p n LYS 215 Ca -0.00 -0.32 -0.39 0.00 -0.00 0.00 0.00 58.31 57.59 3m2p n LYS 215 Cb 0.04 -0.89 -0.06 0.00 0.00 0.00 0.00 35.03 34.11 3m2p n LYS 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3m2p s VAL 216 N -1.15 4.63 -0.05 3.15 1.01 -0.45 -4.93 120.40 122.61 3m2p s VAL 216 Ca 0.04 1.42 0.07 0.00 0.00 0.00 0.00 61.98 63.51 3m2p s VAL 216 Cb 0.05 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 3m2p s VAL 216 CO 0.17 0.51 -0.25 -0.94 0.00 0.00 0.00 175.10 174.59 3m2p s SER 217 N -0.92 3.07 0.00 3.32 1.04 -1.26 -4.42 113.70 114.54 3m2p s SER 217 Ca 0.32 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3m2p s SER 217 Cb -0.21 -0.69 0.00 0.00 0.10 0.00 0.00 66.02 65.23 3m2p s SER 217 CO 0.22 0.27 0.00 0.61 0.98 0.00 0.00 173.24 175.31 3m2p n GLY 218 N 2.78 -1.73 3.03 7.32 0.00 -0.85 -4.99 105.19 110.76 3m2p n GLY 218 Ca -0.17 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.44 3m2p n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m2p s THR 219 N -2.17 1.67 -0.08 2.61 2.01 -1.26 -0.13 115.64 118.29 3m2p s THR 219 Ca 0.00 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.29 3m2p s THR 219 Cb 0.00 -1.58 0.01 0.00 0.01 0.00 0.00 72.50 70.94 3m2p s THR 219 CO 0.00 0.43 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.83 3m2p s PHE 220 N 1.44 1.93 0.13 4.92 0.40 0.27 -4.95 117.98 122.12 3m2p s PHE 220 Ca 0.04 -0.75 -0.31 0.00 -0.60 0.00 0.00 56.93 55.31 3m2p s PHE 220 Cb -0.13 -1.34 -0.08 0.00 0.51 0.00 0.00 43.02 41.97 3m2p s PHE 220 CO -0.11 -0.33 1.37 -0.80 0.70 0.00 0.00 175.22 176.05 3m2p s ASN 221 N 0.50 6.85 -0.47 1.36 0.02 -1.26 0.46 114.94 122.40 3m2p s ASN 221 Ca -0.16 2.33 0.02 0.00 -1.02 0.00 0.00 52.86 54.02 3m2p s ASN 221 Cb -0.17 -2.59 0.12 0.00 0.02 0.00 0.00 41.25 38.64 3m2p s ASN 221 CO 0.06 -0.62 0.22 -0.63 0.02 0.00 0.00 177.10 176.15 3m2p s ILE 222 N 0.92 2.80 0.52 0.60 -1.09 0.04 -4.55 121.20 120.44 3m2p s ILE 222 Ca 0.63 -2.78 0.05 0.00 -2.23 0.00 0.00 60.65 56.32 3m2p s ILE 222 Cb -0.36 -2.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.59 3m2p s ILE 222 CO 0.32 -0.74 0.34 -0.83 -1.23 0.00 0.00 174.94 172.80 3m2p s GLY 223 N 0.56 2.42 -0.07 6.18 0.00 -1.26 -2.60 107.32 112.54 3m2p s GLY 223 Ca 0.14 -1.28 0.13 0.00 0.00 0.00 0.00 44.72 43.71 3m2p s GLY 223 CO -0.04 -1.95 0.20 -1.14 0.00 0.00 0.00 173.10 170.18 3m2p n SER 224 N -1.66 1.73 0.00 1.64 3.41 -1.26 -4.75 113.62 112.73 3m2p n SER 224 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3m2p n SER 224 Cb 0.64 1.30 0.00 0.00 -0.26 0.00 0.00 64.21 65.90 3m2p n SER 224 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3m2p n GLY 225 N 1.90 2.97 3.55 5.00 0.00 -1.26 -4.81 105.19 112.55 3m2p n GLY 225 Ca -0.11 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 3m2p n GLY 225 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m2p s ASP 226 N 0.00 4.42 -0.43 1.61 1.01 -1.26 -4.91 116.67 117.11 3m2p s ASP 226 Ca 0.00 0.47 -0.06 0.00 0.71 0.00 0.00 52.55 53.67 3m2p s ASP 226 Cb 0.00 -2.53 0.11 0.00 1.01 0.00 0.00 42.92 41.51 3m2p s ASP 226 CO 0.00 -3.14 0.26 0.00 0.21 0.00 0.00 175.17 172.51 3m2p s ALA 227 N 12.47 3.26 0.22 5.23 0.00 -1.26 -1.38 121.76 140.31 3m2p s ALA 227 Ca 0.89 -2.48 0.09 0.00 0.00 0.00 0.00 51.96 50.46 3m2p s ALA 227 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 3m2p s ALA 227 CO 0.17 -1.82 -0.06 -0.51 0.00 0.00 0.00 175.76 173.53 3m2p s LEU 228 N 1.27 3.05 0.42 0.00 1.43 0.58 -4.54 118.68 120.88 3m2p s LEU 228 Ca 0.06 -0.62 -0.06 0.00 -1.03 0.00 0.00 54.13 52.48 3m2p s LEU 228 Cb -0.24 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 3m2p s LEU 228 CO -0.02 0.06 0.73 0.42 0.23 0.00 0.00 176.35 177.77 3m2p s THR 229 N -1.97 4.90 0.38 5.49 -4.23 -1.26 -0.51 115.64 118.44 3m2p s THR 229 Ca 0.28 0.27 0.13 0.00 -1.18 0.00 0.00 61.69 61.18 3m2p s THR 229 Cb -0.08 -3.80 0.35 0.00 1.34 0.00 0.00 72.50 70.31 3m2p s THR 229 CO 0.17 -0.65 1.86 0.78 -0.54 0.00 0.00 174.62 176.24 3m2p h ASN 230 N 0.81 0.55 0.19 3.99 -0.26 -1.89 0.15 115.58 119.12 3m2p h ASN 230 Ca -0.47 0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 3m2p h ASN 230 Cb 1.20 -0.06 -0.02 0.00 -1.06 0.00 0.00 38.32 38.38 3m2p h ASN 230 CO 0.63 0.25 -0.19 0.22 -1.06 0.00 0.00 177.43 177.28 3m2p h TYR 231 N 0.56 -0.50 -0.50 1.19 5.03 -1.93 -2.47 116.97 118.36 3m2p h TYR 231 Ca 0.47 0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.85 3m2p h TYR 231 Cb 0.93 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.38 3m2p h TYR 231 CO -0.00 -0.29 0.34 0.93 -1.32 0.00 0.00 178.16 177.82 3m2p h GLU 232 N -0.41 0.37 0.29 1.82 5.08 -1.10 0.58 114.58 121.22 3m2p h GLU 232 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3m2p h GLU 232 Cb 0.39 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3m2p h GLU 232 CO -0.05 0.25 -0.14 0.28 -1.00 0.00 0.00 179.01 178.35 3m2p h VAL 233 N 0.38 0.60 -0.56 3.13 2.07 -1.17 -1.86 116.25 118.85 3m2p h VAL 233 Ca 0.22 -0.79 0.10 0.00 0.82 0.00 0.00 66.70 67.06 3m2p h VAL 233 Cb 0.38 0.94 -0.08 0.00 -1.52 0.00 0.00 31.29 31.01 3m2p h VAL 233 CO -0.06 0.13 0.09 0.00 0.02 0.00 0.00 177.57 177.76 3m2p h ALA 234 N -0.46 0.63 -0.92 1.67 0.00 -1.04 -2.11 119.26 117.03 3m2p h ALA 234 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3m2p h ALA 234 Cb 0.51 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 3m2p h ALA 234 CO 0.07 -0.32 0.58 -0.97 0.00 0.00 0.00 179.25 178.61 3m2p h ASN 235 N 0.22 1.08 1.40 0.00 -1.24 -0.91 -1.68 115.58 114.45 3m2p h ASN 235 Ca 0.29 -0.05 -0.02 0.00 0.71 0.00 0.00 56.30 57.23 3m2p h ASN 235 Cb 0.42 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.20 3m2p h ASN 235 CO -0.39 0.80 -0.12 0.74 -1.29 0.00 0.00 177.43 177.18 3m2p h THR 236 N 1.26 0.24 0.04 -3.57 2.02 -0.83 -2.66 112.91 109.40 3m2p h THR 236 Ca 0.33 -1.04 -0.00 0.00 0.77 0.00 0.00 66.41 66.47 3m2p h THR 236 Cb -0.10 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 3m2p h THR 236 CO -0.07 0.11 -0.02 0.40 0.37 0.00 0.00 175.52 176.32 3m2p h ILE 237 N 0.00 0.92 0.00 3.11 2.04 -1.00 -3.18 117.51 119.40 3m2p h ILE 237 Ca -0.00 -1.57 0.00 0.00 1.00 0.00 0.00 64.86 64.29 3m2p h ILE 237 Cb 0.85 1.70 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 3m2p h ILE 237 CO 0.02 0.30 0.12 0.78 0.00 0.00 0.00 178.15 179.36 3m2p h ASN 238 N -0.97 0.00 -0.00 1.72 2.35 -1.36 -2.61 115.58 114.70 3m2p h ASN 238 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3m2p h ASN 238 Cb 0.53 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.90 3m2p h ASN 238 CO 0.01 0.00 -0.76 -3.20 -1.65 0.00 0.00 177.43 171.83 3m2p n ASN 239 N -2.59 1.22 -0.01 5.81 5.15 -1.00 0.14 115.26 123.97 3m2p n ASN 239 Ca -0.02 -1.11 0.00 0.00 -0.60 0.00 0.00 54.58 52.85 3m2p n ASN 239 Cb 0.16 0.84 0.00 0.00 -0.53 0.00 0.00 39.78 40.25 3m2p n ASN 239 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3m2p n ALA 240 N -1.02 1.63 0.06 5.20 0.00 -1.01 -4.62 120.51 120.75 3m2p n ALA 240 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 53.44 52.66 3m2p n ALA 240 Cb 0.34 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.75 3m2p n ALA 240 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3m2p n PHE 241 N -0.33 0.00 -0.65 0.00 3.01 -1.03 -4.83 117.46 113.64 3m2p n PHE 241 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3m2p n PHE 241 Cb 0.36 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.77 3m2p n PHE 241 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3m2p n GLY 242 N 1.88 0.84 0.00 1.37 0.00 -1.21 -4.96 105.19 103.11 3m2p n GLY 242 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3m2p n GLY 242 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3m2p n ASN 243 N -0.62 0.01 0.00 1.61 5.03 0.36 -5.02 115.26 116.64 3m2p n ASN 243 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3m2p n ASN 243 Cb 0.22 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 3m2p n ASN 243 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3m2p n LYS 244 N 0.00 0.00 -0.05 3.52 5.02 -1.24 -4.69 118.16 120.72 3m2p n LYS 244 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3m2p n LYS 244 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3m2p n LYS 244 CO 0.00 0.00 0.00 1.05 -0.52 0.00 0.00 177.40 177.93 3m2p h GLU 256 N 0.00 0.00 0.00 1.97 4.11 -2.09 -3.53 114.58 115.04 3m2p h GLU 256 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3m2p h GLU 256 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3m2p h GLU 256 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.49 3m2p n GLY 257 N 1.75 1.43 3.81 1.06 0.00 -1.26 -4.61 105.19 107.37 3m2p n GLY 257 Ca -0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 3m2p n GLY 257 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3m2p s ILE 258 N 0.00 1.09 0.14 -0.61 -4.36 -1.26 -5.15 121.20 111.05 3m2p s ILE 258 Ca 0.00 -1.91 0.05 0.00 -0.26 0.00 0.00 60.65 58.53 3m2p s ILE 258 Cb 0.00 -2.00 -0.04 0.00 1.25 0.00 0.00 42.46 41.67 3m2p s ILE 258 CO 0.00 0.00 0.05 -1.00 0.24 0.00 0.00 174.94 174.23 3m2p s HIS 259 N -2.89 3.01 0.22 1.37 3.76 -1.26 -4.72 115.29 114.78 3m2p s HIS 259 Ca 0.06 -0.05 -0.30 0.00 -0.15 0.00 0.00 55.06 54.62 3m2p s HIS 259 Cb -0.00 -1.49 -0.08 0.00 1.11 0.00 0.00 32.58 32.11 3m2p s HIS 259 CO 0.04 0.51 1.08 -1.12 -0.85 0.00 0.00 174.74 174.39 3m2p s SER 260 N -2.76 7.31 -0.12 1.40 0.01 -1.26 -4.68 113.70 113.60 3m2p s SER 260 Ca 0.28 2.14 -0.04 0.00 1.31 0.00 0.00 55.95 59.64 3m2p s SER 260 Cb -0.10 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.57 3m2p s SER 260 CO 0.20 -0.15 0.18 -0.94 0.41 0.00 0.00 173.24 172.94 3m2p s SER 261 N -0.51 0.97 0.31 2.44 1.04 0.41 -4.87 113.70 113.49 3m2p s SER 261 Ca 0.47 0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.96 3m2p s SER 261 Cb -0.30 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.16 3m2p s SER 261 CO 0.37 -0.27 0.59 0.00 0.98 0.00 0.00 173.24 174.91 3m2p n TYR 262 N 5.32 -1.93 -3.69 5.02 4.11 -1.26 -0.57 117.16 124.16 3m2p n TYR 262 Ca -0.05 -1.59 -0.30 0.00 -0.00 0.00 0.00 57.90 55.96 3m2p n TYR 262 Cb 0.50 0.69 -0.15 0.00 -0.00 0.00 0.00 39.34 40.38 3m2p n TYR 262 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3m2p s ASP 264 N -2.69 3.88 -0.32 9.48 -1.08 0.58 -2.11 116.67 124.40 3m2p s ASP 264 Ca 0.15 -1.71 0.05 0.00 -0.52 0.00 0.00 52.55 50.52 3m2p s ASP 264 Cb -0.03 -0.79 0.58 0.00 -1.46 0.00 0.00 42.92 41.22 3m2p s ASP 264 CO 0.11 -0.40 1.69 -1.20 0.52 0.00 0.00 175.17 175.89 3m2p n SER 265 N 4.74 3.96 -0.30 -0.34 7.64 -1.26 -4.45 113.62 123.61 3m2p n SER 265 Ca -0.01 -3.16 -0.04 0.00 1.01 0.00 0.00 58.87 56.67 3m2p n SER 265 Cb 0.41 -0.74 0.07 0.00 -1.01 0.00 0.00 64.21 62.94 3m2p n SER 265 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 3m2p h SER 266 N 1.48 0.97 -0.79 6.43 4.64 -1.97 -2.33 113.55 121.98 3m2p h SER 266 Ca 0.38 -0.05 0.19 0.00 -0.47 0.00 0.00 61.79 61.84 3m2p h SER 266 Cb 2.31 -0.24 -0.13 0.00 -0.31 0.00 0.00 62.40 64.03 3m2p h SER 266 CO 0.77 0.73 0.13 0.50 -0.87 0.00 0.00 176.83 178.10 3m2p h LYS 267 N 1.12 0.18 -0.16 4.77 3.64 -1.92 -0.77 116.57 123.43 3m2p h LYS 267 Ca 0.30 -0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.48 3m2p h LYS 267 Cb -0.07 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3m2p h LYS 267 CO -0.06 0.12 -0.67 0.00 -2.27 0.00 0.00 179.45 176.57 3m2p h ALA 268 N 1.70 0.52 -0.99 5.00 0.00 -1.73 -1.67 119.26 122.10 3m2p h ALA 268 Ca 0.46 -0.57 0.22 0.00 0.00 0.00 0.00 54.91 55.02 3m2p h ALA 268 Cb 0.85 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.47 3m2p h ALA 268 CO -0.62 0.71 0.58 -0.22 0.00 0.00 0.00 179.25 179.71 3m2p h LYS 269 N 0.45 0.64 0.00 0.00 1.63 -0.62 0.56 116.57 119.23 3m2p h LYS 269 Ca -0.02 -0.04 -0.14 0.00 -0.85 0.00 0.00 60.65 59.60 3m2p h LYS 269 Cb 1.26 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 3m2p h LYS 269 CO 0.13 0.42 -0.98 -1.91 -3.45 0.00 0.00 179.45 173.66 3m2p n GLU 270 N -4.84 0.52 -0.02 1.90 2.13 -0.89 -2.80 120.64 116.63 3m2p n GLU 270 Ca 0.25 0.54 -0.15 0.00 0.66 0.00 0.00 57.16 58.46 3m2p n GLU 270 Cb 0.65 -1.71 -0.04 0.00 0.27 0.00 0.00 31.44 30.60 3m2p n GLU 270 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3m2p h LEU 271 N -1.00 0.87 0.00 4.31 -0.00 -1.33 -3.23 115.31 114.94 3m2p h LEU 271 Ca -0.21 -0.55 0.00 0.00 -0.00 0.00 0.00 57.88 57.12 3m2p h LEU 271 Cb 0.98 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 3m2p h LEU 271 CO -0.13 1.34 -0.73 0.18 -0.00 0.00 0.00 178.44 179.10 3m2p n LEU 272 N -3.93 0.63 -3.48 1.67 4.32 0.14 -4.95 117.00 111.39 3m2p n LEU 272 Ca -0.06 -0.05 -0.21 0.00 -0.02 0.00 0.00 56.01 55.67 3m2p n LEU 272 Cb 0.72 -0.16 0.08 0.00 -1.62 0.00 0.00 43.42 42.43 3m2p n LEU 272 CO 0.52 0.10 0.19 0.47 -1.22 0.00 0.00 177.39 177.45 3m2p n ASP 273 N -1.69 -4.55 -4.25 -1.43 8.00 -0.89 -4.72 116.55 107.02 3m2p n ASP 273 Ca 0.04 -0.56 -0.32 0.00 0.71 0.00 0.00 54.79 54.65 3m2p n ASP 273 Cb 0.37 -5.00 -0.16 0.00 -0.02 0.00 0.00 41.12 36.31 3m2p n ASP 273 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3m2p s PHE 274 N -3.33 2.64 0.06 1.24 5.36 -1.10 -4.99 117.98 117.86 3m2p s PHE 274 Ca 0.34 -1.01 -0.07 0.00 -0.96 0.00 0.00 56.93 55.23 3m2p s PHE 274 Cb -0.15 -1.77 -0.01 0.00 -0.34 0.00 0.00 43.02 40.76 3m2p s PHE 274 CO 0.72 -0.41 0.15 -1.54 -1.46 0.00 0.00 175.22 172.67 3m2p s SER 275 N 0.44 0.14 0.49 6.13 1.04 -1.26 -3.62 113.70 117.07 3m2p s SER 275 Ca -0.15 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 55.48 3m2p s SER 275 Cb -0.17 0.28 -0.07 0.00 0.10 0.00 0.00 66.02 66.16 3m2p s SER 275 CO 0.06 -0.61 1.36 0.42 0.98 0.00 0.00 173.24 175.46 3m2p s THR 276 N -3.14 2.21 -0.96 2.02 -4.23 -1.26 -4.90 115.64 105.37 3m2p s THR 276 Ca -0.01 0.17 0.27 0.00 -1.18 0.00 0.00 61.69 60.94 3m2p s THR 276 Cb 0.02 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.89 3m2p s THR 276 CO -0.07 0.01 1.64 0.47 -0.54 0.00 0.00 174.62 176.13 3m2p n ASP 277 N -0.56 0.32 -4.19 3.99 8.00 -1.26 -4.94 116.55 117.91 3m2p n ASP 277 Ca 0.07 0.13 -0.16 0.00 0.71 0.00 0.00 54.79 55.55 3m2p n ASP 277 Cb 0.44 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.31 3m2p n ASP 277 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3m2p s TYR 278 N -3.02 1.15 0.42 1.24 1.51 -1.26 -5.05 117.35 112.35 3m2p s TYR 278 Ca 0.12 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.64 3m2p s TYR 278 Cb 0.18 -0.62 -0.06 0.00 -0.11 0.00 0.00 41.96 41.35 3m2p s TYR 278 CO 0.63 0.04 0.12 0.54 -1.11 0.00 0.00 175.55 175.77 3m2p s ASN 279 N -2.36 4.23 0.16 2.29 2.20 -1.26 -4.96 114.94 115.24 3m2p s ASN 279 Ca 0.05 -1.22 -0.15 0.00 -0.94 0.00 0.00 52.86 50.60 3m2p s ASN 279 Cb -0.04 -0.35 0.07 0.00 -2.00 0.00 0.00 41.25 38.93 3m2p s ASN 279 CO 0.01 -0.56 1.77 0.15 -2.94 0.00 0.00 177.10 175.54 3m2p h PHE 280 N 1.50 0.35 -0.26 1.54 3.04 -1.96 0.94 116.94 122.09 3m2p h PHE 280 Ca -0.43 0.02 0.04 0.00 3.98 0.00 0.00 57.97 61.58 3m2p h PHE 280 Cb 1.25 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 39.63 3m2p h PHE 280 CO 0.74 0.18 0.01 0.00 -2.02 0.00 0.00 178.31 177.22 3m2p h ALA 281 N 1.22 0.24 -0.17 2.41 0.00 -1.97 -1.08 119.26 119.91 3m2p h ALA 281 Ca 0.17 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 3m2p h ALA 281 Cb 0.09 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3m2p h ALA 281 CO -0.13 -0.41 -0.33 1.15 0.00 0.00 0.00 179.25 179.53 3m2p h THR 282 N 0.10 1.28 -0.03 0.00 2.02 -1.83 -1.80 112.91 112.65 3m2p h THR 282 Ca 0.12 -1.37 -0.25 0.00 0.77 0.00 0.00 66.41 65.68 3m2p h THR 282 Cb 0.15 1.52 0.02 0.00 -1.74 0.00 0.00 68.15 68.10 3m2p h THR 282 CO -0.20 0.42 -0.97 0.00 0.37 0.00 0.00 175.52 175.14 3m2p h ALA 283 N 1.36 0.15 0.23 6.16 0.00 -0.48 -2.47 119.26 124.23 3m2p h ALA 283 Ca 0.04 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 3m2p h ALA 283 Cb 0.73 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3m2p h ALA 283 CO 0.06 0.66 -0.11 0.28 0.00 0.00 0.00 179.25 180.13 3m2p h VAL 284 N 0.39 0.79 -0.89 0.00 2.07 -1.15 -0.65 116.25 116.81 3m2p h VAL 284 Ca -0.11 -0.12 0.23 0.00 0.82 0.00 0.00 66.70 67.51 3m2p h VAL 284 Cb 1.62 0.87 -0.06 0.00 -1.52 0.00 0.00 31.29 32.20 3m2p h VAL 284 CO 0.19 0.03 0.61 -0.33 0.02 0.00 0.00 177.57 178.09 3m2p h GLU 285 N -0.37 0.24 0.03 1.57 5.08 -1.36 0.64 114.58 120.40 3m2p h GLU 285 Ca -0.03 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.10 3m2p h GLU 285 Cb 0.28 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3m2p h GLU 285 CO 0.05 0.16 -0.97 1.49 -1.00 0.00 0.00 179.01 178.74 3m2p h GLU 286 N 0.25 0.19 -0.38 2.33 4.81 -1.12 -3.11 114.58 117.55 3m2p h GLU 286 Ca 0.45 -0.24 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 3m2p h GLU 286 Cb 1.38 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.83 3m2p h GLU 286 CO -0.12 1.02 -0.29 0.82 -0.73 0.00 0.00 179.01 179.71 3m2p h ILE 287 N 0.09 1.28 0.02 2.32 2.04 0.16 -2.63 117.51 120.78 3m2p h ILE 287 Ca -0.06 -1.45 0.01 0.00 1.00 0.00 0.00 64.86 64.36 3m2p h ILE 287 Cb 1.63 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 39.05 3m2p h ILE 287 CO 0.15 0.48 -0.34 -0.74 0.00 0.00 0.00 178.15 177.70 3m2p h HIS 288 N 0.67 -0.99 -0.65 1.37 2.76 -0.18 -2.03 115.15 116.10 3m2p h HIS 288 Ca 0.07 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 58.33 3m2p h HIS 288 Cb 0.87 0.43 -0.08 0.00 1.55 0.00 0.00 27.41 30.18 3m2p h HIS 288 CO 0.06 -0.37 -0.39 -0.11 -1.30 0.00 0.00 177.93 175.83 3m2p n LEU 289 N -4.36 -0.69 -0.63 0.26 -0.00 -1.17 -0.95 117.00 109.44 3m2p n LEU 289 Ca -0.05 1.32 0.00 0.00 -0.00 0.00 0.00 56.01 57.28 3m2p n LEU 289 Cb 0.25 -0.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 3m2p n LEU 289 CO 0.08 -1.03 0.00 0.18 -0.00 0.00 0.00 177.39 176.63 3m2p n LEU 290 N -4.59 0.00 0.00 -1.96 4.77 -0.76 -2.81 117.00 111.65 3m2p n LEU 290 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3m2p n LEU 290 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3m2p n LEU 290 CO -0.10 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 173.85 3m2p n ARG 292 N 0.36 0.00 0.00 3.23 0.00 -0.13 -5.11 116.66 115.01 3m2p n ARG 292 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 3m2p n ARG 292 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 32.46 32.99 3m2p n ARG 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04