#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wpm s VAL 17 N 0.00 4.42 -0.06 2.52 1.01 0.13 -3.76 120.40 124.66 2wpm s VAL 17 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.81 2wpm s VAL 17 Cb 0.00 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2wpm s VAL 17 CO 0.00 0.46 0.00 0.61 0.00 0.00 0.00 175.10 176.17 2wpm n GLY 18 N 3.63 0.47 0.00 4.51 0.00 -1.25 -1.43 105.19 111.12 2wpm n GLY 18 Ca -0.17 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2wpm n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpm n GLY 19 N -2.80 1.54 3.17 -0.02 0.00 -1.26 -4.88 105.19 100.93 2wpm n GLY 19 Ca -0.01 -1.94 -0.10 0.00 0.00 0.00 0.00 46.02 43.97 2wpm n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2wpm s GLU 20 N 2.70 0.93 0.21 1.61 -1.05 -0.50 -4.92 118.70 117.68 2wpm s GLU 20 Ca 0.00 -1.43 -0.30 0.00 -0.15 0.00 0.00 54.97 53.09 2wpm s GLU 20 Cb 0.00 0.09 -0.09 0.00 -0.44 0.00 0.00 34.13 33.68 2wpm s GLU 20 CO 0.00 -0.20 1.38 -0.51 0.95 0.00 0.00 175.26 176.88 2wpm s ASP 21 N -3.06 6.79 0.64 0.83 1.01 -1.26 -1.36 116.67 120.25 2wpm s ASP 21 Ca 0.21 2.51 -0.10 0.00 0.71 0.00 0.00 52.55 55.88 2wpm s ASP 21 Cb 0.07 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 2wpm s ASP 21 CO 0.01 -0.61 1.02 0.00 0.21 0.00 0.00 175.17 175.79 2wpm s ALA 22 N 0.18 3.06 0.06 5.23 0.00 -0.33 -4.86 121.76 125.09 2wpm s ALA 22 Ca 0.59 -0.31 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 2wpm s ALA 22 Cb -0.39 -2.95 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2wpm s ALA 22 CO 0.39 -0.87 0.24 0.15 0.00 0.00 0.00 175.76 175.67 2wpm s LYS 23 N -5.20 3.48 0.14 0.00 1.02 -1.26 -4.87 119.74 113.06 2wpm s LYS 23 Ca 0.56 -0.33 -0.34 0.00 0.02 0.00 0.00 55.97 55.88 2wpm s LYS 23 Cb -0.11 -3.02 -0.16 0.00 -0.52 0.00 0.00 37.83 34.01 2wpm s LYS 23 CO 0.51 0.60 1.16 -2.30 -0.92 0.00 0.00 175.35 174.40 2wpm n PRO 24 N 0.46 0.99 -0.95 -1.68 -0.02 -1.26 -0.85 135.00 131.69 2wpm n PRO 24 Ca -0.06 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2wpm n PRO 24 Cb 0.52 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 2wpm n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wpm n GLY 25 N 2.07 0.55 0.21 -1.23 0.00 -1.26 -4.91 105.19 100.62 2wpm n GLY 25 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 2wpm n GLY 25 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wpm h GLN 26 N 1.42 0.54 -2.29 1.61 4.15 -1.35 -3.33 115.11 115.86 2wpm h GLN 26 Ca 0.00 -0.33 -0.59 0.00 0.77 0.00 0.00 58.65 58.50 2wpm h GLN 26 Cb 0.13 0.03 -0.41 0.00 0.21 0.00 0.00 27.48 27.45 2wpm h GLN 26 CO 0.00 0.93 -0.78 1.19 -1.93 0.00 0.00 178.83 178.24 2wpm n PHE 27 N -3.97 1.90 0.15 3.99 3.01 -1.26 -4.95 117.46 116.33 2wpm n PHE 27 Ca -0.03 -3.91 0.10 0.00 1.01 0.00 0.00 57.45 54.61 2wpm n PHE 27 Cb 0.59 -0.42 0.51 0.00 -0.01 0.00 0.00 39.48 40.15 2wpm n PHE 27 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 2wpm n PRO 28 N 1.40 0.12 0.00 -1.08 -0.04 -1.25 -1.27 135.00 132.88 2wpm n PRO 28 Ca 0.26 0.62 0.12 0.00 -0.04 0.00 0.00 63.50 64.45 2wpm n PRO 28 Cb 0.44 -1.94 0.25 0.00 -0.04 0.00 0.00 33.50 32.21 2wpm n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2wpm n TRP 29 N -2.17 0.00 -2.66 0.54 2.14 -1.05 -1.82 117.44 112.42 2wpm n TRP 29 Ca -0.01 0.00 -0.41 0.00 2.07 0.00 0.00 57.50 59.15 2wpm n TRP 29 Cb 0.07 -0.17 -0.04 0.00 -0.81 0.00 0.00 31.31 30.36 2wpm n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2wpm s GLN 30 N -2.81 4.64 0.16 -2.67 2.00 -0.40 -1.41 119.66 119.17 2wpm s GLN 30 Ca 0.15 1.52 0.05 0.00 -2.00 0.00 0.00 55.36 55.09 2wpm s GLN 30 Cb 0.18 -3.37 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 2wpm s GLN 30 CO 0.65 0.12 -0.11 0.14 -0.50 0.00 0.00 175.29 175.59 2wpm s VAL 31 N 0.16 1.26 0.14 1.34 -7.23 -0.84 -4.24 120.40 110.99 2wpm s VAL 31 Ca 0.49 -2.09 0.09 0.00 -1.81 0.00 0.00 61.98 58.66 2wpm s VAL 31 Cb -0.25 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 2wpm s VAL 31 CO 0.31 -0.72 -0.14 0.54 -0.31 0.00 0.00 175.10 174.77 2wpm s VAL 32 N -3.27 3.04 -0.14 1.32 0.11 -0.86 -1.54 120.40 119.06 2wpm s VAL 32 Ca 0.18 -1.53 -0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2wpm s VAL 32 Cb 0.02 -2.44 -0.01 0.00 -1.53 0.00 0.00 36.38 32.42 2wpm s VAL 32 CO 0.02 0.03 -0.12 -0.76 -3.33 0.00 0.00 175.10 170.93 2wpm s LEU 33 N -2.39 2.73 0.04 2.54 1.43 -0.24 -1.57 118.68 121.21 2wpm s LEU 33 Ca 0.21 -0.33 0.08 0.00 -1.03 0.00 0.00 54.13 53.06 2wpm s LEU 33 Cb -0.10 -1.62 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2wpm s LEU 33 CO 0.12 0.15 -0.24 0.20 0.23 0.00 0.00 176.35 176.81 2wpm s ASN 34 N 0.45 3.34 0.00 2.29 0.02 -0.11 -2.02 114.94 118.91 2wpm s ASN 34 Ca -0.09 -0.53 0.00 0.00 -1.02 0.00 0.00 52.86 51.22 2wpm s ASN 34 Cb -0.16 -0.39 0.00 0.00 0.02 0.00 0.00 41.25 40.72 2wpm s ASN 34 CO 0.05 0.27 0.00 0.61 0.02 0.00 0.00 177.10 178.04 2wpm n GLY 35 N 1.79 2.18 0.35 0.66 0.00 -1.26 0.35 105.19 109.26 2wpm n GLY 35 Ca -0.17 0.14 0.17 0.00 0.00 0.00 0.00 46.02 46.16 2wpm n GLY 35 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2wpm h LYS 36 N 0.00 0.00 -5.48 1.61 3.64 -1.98 -3.37 116.57 110.99 2wpm h LYS 36 Ca 0.00 0.00 -0.55 0.00 -1.27 0.00 0.00 60.65 58.83 2wpm h LYS 36 Cb 0.00 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.52 2wpm h LYS 36 CO 0.00 0.00 -0.83 0.08 -2.27 0.00 0.00 179.45 176.43 2wpm s VAL 38 N -5.02 1.38 0.28 2.00 1.01 -1.26 -5.13 120.40 113.66 2wpm s VAL 38 Ca -0.05 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 60.99 2wpm s VAL 38 Cb 0.19 -1.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 2wpm s VAL 38 CO 0.71 0.39 0.82 -1.81 0.00 0.00 0.00 175.10 175.22 2wpm s ASP 39 N -0.20 7.12 -1.52 3.32 1.01 -1.26 -3.95 116.67 121.18 2wpm s ASP 39 Ca 0.02 1.58 -0.10 0.00 0.71 0.00 0.00 52.55 54.76 2wpm s ASP 39 Cb -0.09 -2.48 0.08 0.00 1.01 0.00 0.00 42.92 41.44 2wpm s ASP 39 CO 0.01 -0.06 0.79 0.00 0.21 0.00 0.00 175.17 176.12 2wpm n ALA 40 N 0.45 -1.52 0.48 5.23 0.00 -1.10 -4.89 120.51 119.17 2wpm n ALA 40 Ca 0.01 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.58 2wpm n ALA 40 Cb 0.51 -3.30 0.40 0.00 0.00 0.00 0.00 19.45 17.06 2wpm n ALA 40 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2wpm h PHE 41 N -1.86 0.00 -2.64 0.00 -0.00 -1.53 -3.46 116.94 107.45 2wpm h PHE 41 Ca -0.60 0.00 0.12 0.00 -0.00 0.00 0.00 57.97 57.50 2wpm h PHE 41 Cb 1.38 0.00 -0.06 0.00 -0.00 0.00 0.00 35.95 37.27 2wpm h PHE 41 CO 0.56 0.00 0.39 0.00 -0.00 0.00 0.00 178.31 179.25 2wpm n GLY 43 N -0.49 3.40 3.86 0.00 0.00 0.12 -1.08 105.19 111.01 2wpm n GLY 43 Ca -0.05 -2.29 -0.03 0.00 0.00 0.00 0.00 46.02 43.65 2wpm n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpm s GLY 44 N -2.93 0.05 0.02 -0.02 0.00 -0.59 -3.65 107.32 100.20 2wpm s GLY 44 Ca 0.08 -0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.58 2wpm s GLY 44 CO 0.05 2.05 -0.05 -0.56 0.00 0.00 0.00 173.10 174.59 2wpm s SER 45 N -3.33 0.61 -0.21 1.64 0.01 -0.59 -1.98 113.70 109.85 2wpm s SER 45 Ca 0.20 -0.31 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 2wpm s SER 45 Cb -0.02 -0.00 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2wpm s SER 45 CO 0.05 -0.08 1.03 -0.63 0.41 0.00 0.00 173.24 174.02 2wpm s ILE 46 N -0.74 4.69 -0.16 1.44 1.01 -0.50 -0.76 121.20 126.19 2wpm s ILE 46 Ca -0.05 2.03 -0.23 0.00 0.00 0.00 0.00 60.65 62.40 2wpm s ILE 46 Cb -0.06 -4.31 -0.21 0.00 0.01 0.00 0.00 42.46 37.90 2wpm s ILE 46 CO -0.00 -0.16 0.50 0.58 0.00 0.00 0.00 174.94 175.87 2wpm h VAL 47 N 5.40 1.31 -2.31 2.92 2.07 -1.38 -0.74 116.25 123.52 2wpm h VAL 47 Ca -0.21 -2.12 -0.02 0.00 0.82 0.00 0.00 66.70 65.18 2wpm h VAL 47 Cb 1.07 2.61 -0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2wpm h VAL 47 CO 0.96 0.44 0.06 -0.46 0.02 0.00 0.00 177.57 178.60 2wpm n ASN 48 N -4.58 -0.58 -0.20 0.57 0.23 -1.17 -4.55 115.26 104.97 2wpm n ASN 48 Ca -0.15 -1.44 0.21 0.00 -0.53 0.00 0.00 54.58 52.67 2wpm n ASN 48 Cb 0.48 0.98 0.58 0.00 -2.08 0.00 0.00 39.78 39.74 2wpm n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2wpm h GLU 49 N 0.00 0.26 -0.02 -3.83 3.07 -1.96 -2.47 114.58 109.64 2wpm h GLU 49 Ca -0.09 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 2wpm h GLU 49 Cb 0.33 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2wpm h GLU 49 CO 0.11 0.18 -0.08 1.63 -1.40 0.00 0.00 179.01 179.44 2wpm n LYS 50 N -4.44 1.24 -4.30 2.33 4.76 -1.26 -1.46 118.16 115.03 2wpm n LYS 50 Ca 0.18 -1.16 -0.18 0.00 -2.87 0.00 0.00 58.31 54.28 2wpm n LYS 50 Cb 0.75 -1.25 -0.14 0.00 -1.84 0.00 0.00 35.03 32.55 2wpm n LYS 50 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2wpm s TRP 51 N -1.33 0.93 -0.05 2.13 0.52 -0.93 -1.40 118.94 118.81 2wpm s TRP 51 Ca 0.15 -0.28 0.05 0.00 0.02 0.00 0.00 56.10 56.03 2wpm s TRP 51 Cb 0.12 -0.57 -0.00 0.00 -1.15 0.00 0.00 33.47 31.86 2wpm s TRP 51 CO 0.23 -0.01 -0.19 0.42 0.02 0.00 0.00 176.95 177.42 2wpm s ILE 52 N -0.64 1.55 -0.14 2.03 1.09 0.17 -1.01 121.20 124.25 2wpm s ILE 52 Ca 0.00 -0.78 -0.04 0.00 -1.10 0.00 0.00 60.65 58.73 2wpm s ILE 52 Cb -0.06 -1.33 -0.03 0.00 -1.06 0.00 0.00 42.46 39.98 2wpm s ILE 52 CO 0.00 0.44 0.01 0.54 -0.10 0.00 0.00 174.94 175.84 2wpm s VAL 53 N -0.00 4.38 0.00 2.92 0.11 0.06 0.30 120.40 128.17 2wpm s VAL 53 Ca -0.04 -0.20 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 2wpm s VAL 53 Cb -0.12 -2.91 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2wpm s VAL 53 CO 0.02 0.53 0.00 1.07 -3.33 0.00 0.00 175.10 173.40 2wpm n THR 54 N 2.95 0.00 -3.63 5.04 5.66 0.96 -1.54 114.28 123.72 2wpm n THR 54 Ca -0.18 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.46 2wpm n THR 54 Cb 0.53 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 2wpm n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2wpm s ALA 55 N -1.72 3.65 0.35 1.79 0.00 -1.26 0.56 121.76 125.13 2wpm s ALA 55 Ca 0.00 -0.55 0.07 0.00 0.00 0.00 0.00 51.96 51.49 2wpm s ALA 55 Cb 0.00 -2.28 0.76 0.00 0.00 0.00 0.00 23.12 21.61 2wpm s ALA 55 CO 0.00 0.17 1.89 0.00 0.00 0.00 0.00 175.76 177.82 2wpm h ALA 56 N 6.46 1.76 0.00 0.00 0.00 -1.72 -1.45 119.26 124.31 2wpm h ALA 56 Ca -0.43 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wpm h ALA 56 Cb 1.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wpm h ALA 56 CO 0.74 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.62 2wpm n HIS 57 N -4.54 0.00 0.10 0.00 1.44 -1.26 -1.55 115.22 109.40 2wpm n HIS 57 Ca 0.16 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.91 2wpm n HIS 57 Cb 0.40 -0.44 -0.01 0.00 0.12 0.00 0.00 29.99 30.06 2wpm n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wpm n VAL 59 N -3.00 1.64 -0.03 0.00 0.24 -0.60 -4.86 118.33 111.73 2wpm n VAL 59 Ca -0.03 -3.74 -0.16 0.00 -2.04 0.00 0.00 64.34 58.38 2wpm n VAL 59 Cb 0.73 -0.03 -0.09 0.00 -1.47 0.00 0.00 33.84 32.98 2wpm n VAL 59 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2wpm h GLU 60 N 2.70 0.47 0.00 7.34 5.08 -1.76 -3.25 114.58 125.17 2wpm h GLU 60 Ca 0.07 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2wpm h GLU 60 Cb 1.16 0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wpm h GLU 60 CO 0.58 1.02 0.00 0.25 -1.00 0.00 0.00 179.01 179.86 2wpm n THR 61 N -4.28 0.32 -0.57 1.13 -2.24 -1.26 -4.84 114.28 102.54 2wpm n THR 61 Ca -0.08 0.08 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2wpm n THR 61 Cb 0.58 -0.86 -0.00 0.00 -2.10 0.00 0.00 70.33 67.95 2wpm n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wpm n GLY 61 N -0.12 0.07 3.45 3.38 0.00 -1.23 -4.90 105.19 105.84 2wpm n GLY 61 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wpm n GLY 61 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wpm s VAL 61 N -0.61 1.93 0.24 1.61 -7.23 -1.26 -4.89 120.40 110.18 2wpm s VAL 61 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 2wpm s VAL 61 Cb 0.00 -2.03 -0.11 0.00 0.56 0.00 0.00 36.38 34.80 2wpm s VAL 61 CO 0.00 0.00 1.59 -0.75 -0.31 0.00 0.00 175.10 175.63 2wpm s LYS 62 N -4.47 4.17 0.03 4.82 2.20 -1.26 -5.01 119.74 120.22 2wpm s LYS 62 Ca 0.69 2.49 0.01 0.00 -0.36 0.00 0.00 55.97 58.80 2wpm s LYS 62 Cb -0.25 -3.08 -0.02 0.00 -1.51 0.00 0.00 37.83 32.97 2wpm s LYS 62 CO 0.65 -0.62 -0.06 0.42 -0.36 0.00 0.00 175.35 175.39 2wpm s ILE 63 N 0.53 0.34 0.00 5.43 -1.09 -1.26 -4.42 121.20 120.72 2wpm s ILE 63 Ca 0.67 -1.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2wpm s ILE 63 Cb -0.46 -0.46 0.00 0.00 -1.58 0.00 0.00 42.46 39.96 2wpm s ILE 63 CO 0.40 -0.45 0.00 0.41 -1.23 0.00 0.00 174.94 174.07 2wpm n THR 64 N 1.50 0.00 -3.17 2.92 -1.04 0.16 -2.76 114.28 111.88 2wpm n THR 64 Ca -0.23 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 61.83 2wpm n THR 64 Cb 0.55 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 69.04 2wpm n THR 64 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wpm s VAL 65 N 0.64 -0.25 0.32 12.58 1.01 -0.61 -0.93 120.40 133.16 2wpm s VAL 65 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 2wpm s VAL 65 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 2wpm s VAL 65 CO 0.00 0.00 0.47 0.00 0.00 0.00 0.00 175.10 175.57 2wpm s ALA 66 N 2.82 4.02 -1.46 5.51 0.00 -0.09 -2.02 121.76 130.54 2wpm s ALA 66 Ca -0.03 -1.28 0.00 0.00 0.00 0.00 0.00 51.96 50.65 2wpm s ALA 66 Cb -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.24 2wpm s ALA 66 CO -0.11 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.07 2wpm n GLY 69 N -1.63 0.15 3.87 0.00 0.00 -1.23 -0.57 105.19 105.77 2wpm n GLY 69 Ca -0.03 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2wpm n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wpm s GLU 70 N -4.47 3.79 0.29 1.61 2.56 -1.26 -3.10 118.70 118.12 2wpm s GLU 70 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 54.97 55.19 2wpm s GLU 70 Cb 0.00 -2.91 0.00 0.00 2.00 0.00 0.00 34.13 33.22 2wpm s GLU 70 CO 0.00 0.50 0.00 1.58 -0.56 0.00 0.00 175.26 176.78 2wpm n HIS 71 N 0.63 -2.55 -3.76 5.30 -0.00 -1.26 -4.94 115.22 108.64 2wpm n HIS 71 Ca -0.05 0.45 -0.37 0.00 -0.00 0.00 0.00 57.72 57.75 2wpm n HIS 71 Cb 0.52 0.58 -0.12 0.00 -0.00 0.00 0.00 29.99 30.98 2wpm n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2wpm s ASN 72 N -5.03 5.27 0.00 0.26 3.84 -1.25 -1.23 114.94 116.81 2wpm s ASN 72 Ca 0.00 -1.65 0.04 0.00 0.21 0.00 0.00 52.86 51.45 2wpm s ASN 72 Cb 0.00 -1.84 0.18 0.00 -0.55 0.00 0.00 41.25 39.03 2wpm s ASN 72 CO 0.00 -0.46 0.96 2.30 -2.79 0.00 0.00 177.10 177.11 2wpm n ILE 73 N 4.70 1.11 -0.02 -5.21 -5.35 0.87 -1.78 119.36 113.68 2wpm n ILE 73 Ca -0.08 0.28 0.04 0.00 -0.27 0.00 0.00 62.75 62.72 2wpm n ILE 73 Cb 0.42 -1.22 0.08 0.00 -1.74 0.00 0.00 39.64 37.19 2wpm n ILE 73 CO 0.00 0.00 0.00 -1.84 -1.76 0.00 0.00 176.55 172.95 2wpm n GLU 74 N -1.31 2.26 -4.67 6.28 0.28 -1.26 -5.03 120.64 117.19 2wpm n GLU 74 Ca 0.02 -1.64 -0.30 0.00 -0.16 0.00 0.00 57.16 55.07 2wpm n GLU 74 Cb 0.03 -1.16 -0.08 0.00 1.43 0.00 0.00 31.44 31.66 2wpm n GLU 74 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2wpm s GLU 75 N -0.91 2.10 -0.19 3.44 2.02 -0.73 -5.14 118.70 119.29 2wpm s GLU 75 Ca 0.13 -2.32 0.01 0.00 0.02 0.00 0.00 54.97 52.81 2wpm s GLU 75 Cb 0.07 -1.16 0.03 0.00 0.10 0.00 0.00 34.13 33.17 2wpm s GLU 75 CO 0.10 -0.42 -0.16 0.99 0.02 0.00 0.00 175.26 175.79 2wpm s THR 76 N -3.01 1.96 -0.79 3.63 2.01 -1.26 -4.85 115.64 113.33 2wpm s THR 76 Ca 0.12 -1.03 0.22 0.00 0.31 0.00 0.00 61.69 61.31 2wpm s THR 76 Cb 0.02 -1.86 -0.22 0.00 0.01 0.00 0.00 72.50 70.45 2wpm s THR 76 CO 0.07 0.38 0.88 -0.62 -0.69 0.00 0.00 174.62 174.65 2wpm n GLU 77 N 4.62 0.14 -1.20 4.92 4.71 -1.26 -4.95 120.64 127.61 2wpm n GLU 77 Ca -0.18 -0.03 -0.07 0.00 -0.01 0.00 0.00 57.16 56.86 2wpm n GLU 77 Cb 0.48 -1.51 -0.03 0.00 -1.01 0.00 0.00 31.44 29.37 2wpm n GLU 77 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2wpm n HIS 78 N -1.68 0.00 0.33 -0.32 8.25 -1.26 -4.82 115.22 115.72 2wpm n HIS 78 Ca 0.03 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.52 2wpm n HIS 78 Cb 0.38 -1.63 -0.01 0.00 1.12 0.00 0.00 29.99 29.85 2wpm n HIS 78 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2wpm n THR 79 N -2.65 0.00 -2.32 1.59 -2.24 -1.26 -5.03 114.28 102.37 2wpm n THR 79 Ca -0.07 -0.40 -0.41 0.00 -2.27 0.00 0.00 64.05 60.90 2wpm n THR 79 Cb 0.30 1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 2wpm n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2wpm s GLU 80 N -1.25 4.50 -0.20 -0.78 8.01 -1.18 -4.35 118.70 123.45 2wpm s GLU 80 Ca 0.05 1.97 -0.00 0.00 0.01 0.00 0.00 54.97 57.00 2wpm s GLU 80 Cb 0.06 -3.17 0.05 0.00 -4.31 0.00 0.00 34.13 26.76 2wpm s GLU 80 CO 0.21 -0.03 -0.04 -0.65 0.01 0.00 0.00 175.26 174.76 2wpm s GLN 81 N -1.09 1.45 -0.09 1.61 -0.21 0.26 -4.97 119.66 116.63 2wpm s GLN 81 Ca 0.49 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 55.09 2wpm s GLN 81 Cb -0.35 -2.27 -0.04 0.00 1.00 0.00 0.00 33.01 31.35 2wpm s GLN 81 CO 0.43 -0.52 0.18 0.15 -2.12 0.00 0.00 175.29 173.41 2wpm s LYS 82 N 1.56 3.51 0.03 2.91 1.02 -1.26 -0.91 119.74 126.59 2wpm s LYS 82 Ca -0.02 -0.08 -0.06 0.00 0.02 0.00 0.00 55.97 55.83 2wpm s LYS 82 Cb -0.17 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2wpm s LYS 82 CO -0.07 0.75 0.11 1.03 -0.92 0.00 0.00 175.35 176.24 2wpm s ARG 83 N -1.17 0.58 0.11 1.68 1.81 -1.26 -5.02 118.95 115.69 2wpm s ARG 83 Ca 0.18 -0.70 -0.08 0.00 -1.72 0.00 0.00 55.73 53.41 2wpm s ARG 83 Cb -0.13 0.23 -0.06 0.00 -0.45 0.00 0.00 34.95 34.54 2wpm s ARG 83 CO 0.07 -0.15 0.40 -0.80 -0.68 0.00 0.00 175.30 174.14 2wpm s ASN 84 N -2.03 6.57 -0.27 0.23 0.01 -1.26 -4.53 114.94 113.66 2wpm s ASN 84 Ca -0.06 0.71 -0.18 0.00 -0.71 0.00 0.00 52.86 52.62 2wpm s ASN 84 Cb -0.02 -2.14 -0.02 0.00 0.41 0.00 0.00 41.25 39.47 2wpm s ASN 84 CO -0.04 0.11 0.51 -0.69 -1.51 0.00 0.00 177.10 175.48 2wpm s VAL 85 N -1.53 5.06 -0.76 1.60 1.01 -1.11 -0.53 120.40 124.14 2wpm s VAL 85 Ca 0.37 0.82 0.15 0.00 0.00 0.00 0.00 61.98 63.32 2wpm s VAL 85 Cb -0.13 -3.84 -0.15 0.00 0.00 0.00 0.00 36.38 32.26 2wpm s VAL 85 CO 0.21 0.05 0.66 2.30 0.00 0.00 0.00 175.10 178.32 2wpm n ILE 86 N 5.19 0.00 -3.70 2.22 -6.64 -0.63 -4.76 119.36 111.04 2wpm n ILE 86 Ca -0.04 -0.15 -0.12 0.00 -1.77 0.00 0.00 62.75 60.67 2wpm n ILE 86 Cb 0.50 1.01 -0.10 0.00 -1.44 0.00 0.00 39.64 39.61 2wpm n ILE 86 CO 0.00 0.00 0.00 -0.60 -1.77 0.00 0.00 176.55 174.18 2wpm s ARG 87 N -2.40 0.50 -0.12 6.28 3.52 -1.24 -5.01 118.95 120.47 2wpm s ARG 87 Ca 0.06 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.43 2wpm s ARG 87 Cb 0.12 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2wpm s ARG 87 CO 0.61 -0.11 -0.15 0.42 -0.81 0.00 0.00 175.30 175.26 2wpm s ILE 88 N 0.82 1.53 -0.49 4.11 1.01 -1.26 -1.21 121.20 125.71 2wpm s ILE 88 Ca -0.05 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 59.98 2wpm s ILE 88 Cb -0.05 -1.41 0.13 0.00 0.01 0.00 0.00 42.46 41.13 2wpm s ILE 88 CO -0.06 0.45 0.25 -0.63 0.00 0.00 0.00 174.94 174.95 2wpm s ILE 89 N 1.17 2.87 0.68 2.92 1.01 0.23 -4.97 121.20 125.11 2wpm s ILE 89 Ca -0.02 -2.89 -0.11 0.00 0.00 0.00 0.00 60.65 57.63 2wpm s ILE 89 Cb -0.14 -2.98 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 2wpm s ILE 89 CO -0.05 -0.76 1.06 -2.16 0.00 0.00 0.00 174.94 173.03 2wpm s PRO 90 N 0.17 3.05 0.29 2.79 0.04 -1.26 -1.34 135.00 138.74 2wpm s PRO 90 Ca 0.15 0.79 -0.30 0.00 0.04 0.00 0.00 61.00 61.67 2wpm s PRO 90 Cb -0.23 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.18 2wpm s PRO 90 CO -0.03 -0.97 1.59 1.58 0.04 0.00 0.00 177.00 179.21 2wpm n HIS 91 N -3.02 2.81 0.11 0.56 -0.00 -0.83 -4.86 115.22 109.99 2wpm n HIS 91 Ca 0.07 0.25 0.20 0.00 -0.00 0.00 0.00 57.72 58.24 2wpm n HIS 91 Cb 0.54 -2.59 0.74 0.00 -0.00 0.00 0.00 29.99 28.69 2wpm n HIS 91 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.34 177.46 2wpm h HIS 92 N 4.87 0.00 -0.17 1.57 2.07 -1.93 -0.78 115.15 120.78 2wpm h HIS 92 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 2wpm h HIS 92 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2wpm h HIS 92 CO 0.58 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.53 2wpm n ASN 93 N -3.64 3.05 -4.71 3.10 3.02 -1.26 -4.88 115.26 109.93 2wpm n ASN 93 Ca 0.07 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.26 2wpm n ASN 93 Cb 0.61 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.65 2wpm n ASN 93 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 2wpm s PHE 94 N -1.65 2.97 -1.12 3.10 5.36 -0.30 -1.87 117.98 124.47 2wpm s PHE 94 Ca 0.30 0.56 0.00 0.00 -0.96 0.00 0.00 56.93 56.83 2wpm s PHE 94 Cb 0.20 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2wpm s PHE 94 CO 0.28 -3.57 0.00 0.09 -1.46 0.00 0.00 175.22 170.56 2wpm n ASN 95 N 4.17 -4.09 0.19 6.13 3.02 -1.26 -4.87 115.26 118.54 2wpm n ASN 95 Ca 0.14 0.16 0.05 0.00 -0.03 0.00 0.00 54.58 54.90 2wpm n ASN 95 Cb 0.38 -2.92 0.36 0.00 -0.61 0.00 0.00 39.78 37.00 2wpm n ASN 95 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wpm h ALA 96 N 0.24 1.10 -3.68 5.41 0.00 -1.71 -3.34 119.26 117.27 2wpm h ALA 96 Ca -0.25 -0.34 -0.64 0.00 0.00 0.00 0.00 54.91 53.68 2wpm h ALA 96 Cb 0.95 -0.06 -0.38 0.00 0.00 0.00 0.00 17.79 18.29 2wpm h ALA 96 CO 0.34 0.47 -0.77 0.00 0.00 0.00 0.00 179.25 179.28 2wpm s ALA 97 N -3.78 2.32 0.21 0.00 0.00 -1.26 -5.10 121.76 114.15 2wpm s ALA 97 Ca -0.01 -1.77 -0.31 0.00 0.00 0.00 0.00 51.96 49.87 2wpm s ALA 97 Cb 0.12 -1.61 -0.15 0.00 0.00 0.00 0.00 23.12 21.47 2wpm s ALA 97 CO 0.69 -1.34 1.05 1.51 0.00 0.00 0.00 175.76 177.67 2wpm n ILE 98 N 4.52 1.37 -2.61 0.00 0.13 -1.26 -3.28 119.36 118.23 2wpm n ILE 98 Ca -0.08 -0.34 -0.18 0.00 -1.10 0.00 0.00 62.75 61.05 2wpm n ILE 98 Cb 0.43 -0.81 -0.00 0.00 -0.84 0.00 0.00 39.64 38.42 2wpm n ILE 98 CO 0.00 0.00 0.00 0.59 2.80 0.00 0.00 176.55 179.94 2wpm n ASN 98 N 1.72 -4.81 -0.00 9.51 3.02 -1.26 -4.90 115.26 118.54 2wpm n ASN 98 Ca 0.13 -0.00 0.09 0.00 -0.03 0.00 0.00 54.58 54.77 2wpm n ASN 98 Cb 0.27 -4.01 -0.12 0.00 -0.61 0.00 0.00 39.78 35.30 2wpm n ASN 98 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wpm n THR 98 N -3.80 0.00 -0.86 3.41 -2.24 -1.21 -4.99 114.28 104.61 2wpm n THR 98 Ca -0.16 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2wpm n THR 98 Cb 0.63 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.45 2wpm n THR 98 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wpm n TYR 99 N -1.75 0.00 -2.29 4.78 4.01 -1.26 -4.97 117.16 115.67 2wpm n TYR 99 Ca 0.00 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.34 2wpm n TYR 99 Cb 0.37 -1.29 -0.03 0.00 -0.31 0.00 0.00 39.34 38.08 2wpm n TYR 99 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2wpm s ASN 100 N -2.11 6.98 -1.05 7.72 2.47 -1.26 -2.78 114.94 124.90 2wpm s ASN 100 Ca 0.00 2.47 -0.05 0.00 0.42 0.00 0.00 52.86 55.71 2wpm s ASN 100 Cb 0.00 -2.64 0.01 0.00 -1.45 0.00 0.00 41.25 37.17 2wpm s ASN 100 CO 0.00 -0.37 0.64 1.41 -3.72 0.00 0.00 177.10 175.06 2wpm n HIS 101 N 0.92 -1.73 -2.69 0.43 8.25 -1.26 -4.18 115.22 114.95 2wpm n HIS 101 Ca -0.00 0.54 -0.43 0.00 -0.26 0.00 0.00 57.72 57.57 2wpm n HIS 101 Cb 0.43 -3.70 0.00 0.00 1.12 0.00 0.00 29.99 27.84 2wpm n HIS 101 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2wpm n ASP 102 N -1.51 5.03 -3.69 0.41 2.03 -1.12 -4.24 116.55 113.45 2wpm n ASP 102 Ca -0.04 -2.94 -0.14 0.00 0.52 0.00 0.00 54.79 52.19 2wpm n ASP 102 Cb 0.57 -1.69 -0.08 0.00 -0.72 0.00 0.00 41.12 39.19 2wpm n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wpm s ILE 103 N 3.37 0.03 0.10 5.18 1.10 -1.26 -4.17 121.20 125.56 2wpm s ILE 103 Ca 0.50 -0.27 -0.15 0.00 -0.51 0.00 0.00 60.65 60.22 2wpm s ILE 103 Cb 0.02 -0.71 0.03 0.00 0.15 0.00 0.00 42.46 41.95 2wpm s ILE 103 CO 0.05 -0.15 0.37 0.00 -2.11 0.00 0.00 174.94 173.11 2wpm s ALA 104 N -0.99 -0.84 0.02 1.50 0.00 0.19 -1.96 121.76 119.68 2wpm s ALA 104 Ca -0.10 -0.07 0.08 0.00 0.00 0.00 0.00 51.96 51.87 2wpm s ALA 104 Cb -0.04 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2wpm s ALA 104 CO 0.05 -0.59 -0.25 -0.51 0.00 0.00 0.00 175.76 174.46 2wpm s LEU 105 N -2.66 2.11 -0.10 0.00 1.43 -0.45 -0.03 118.68 118.99 2wpm s LEU 105 Ca 0.02 -0.52 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2wpm s LEU 105 Cb 0.02 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2wpm s LEU 105 CO -0.10 0.27 -0.17 -0.76 0.23 0.00 0.00 176.35 175.82 2wpm s LEU 106 N -0.94 1.80 -0.13 1.79 1.43 0.15 -0.60 118.68 122.17 2wpm s LEU 106 Ca 0.10 -0.43 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2wpm s LEU 106 Cb -0.10 -1.10 -0.05 0.00 0.03 0.00 0.00 46.19 44.98 2wpm s LEU 106 CO 0.01 0.06 0.19 -0.70 0.23 0.00 0.00 176.35 176.14 2wpm s GLU 107 N 0.74 3.80 0.22 1.70 2.12 -0.35 -0.66 118.70 126.28 2wpm s GLU 107 Ca -0.12 -0.05 -0.11 0.00 0.36 0.00 0.00 54.97 55.05 2wpm s GLU 107 Cb -0.16 -3.28 -0.07 0.00 0.26 0.00 0.00 34.13 30.88 2wpm s GLU 107 CO 0.02 0.58 0.57 -0.51 -0.54 0.00 0.00 175.26 175.38 2wpm s LEU 108 N -0.50 4.19 0.07 2.70 1.43 -0.49 -1.61 118.68 124.47 2wpm s LEU 108 Ca 0.15 0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 54.02 2wpm s LEU 108 Cb -0.13 -3.65 -0.12 0.00 0.03 0.00 0.00 46.19 42.32 2wpm s LEU 108 CO 0.04 -0.06 1.57 -2.24 0.23 0.00 0.00 176.35 175.89 2wpm h ASP 109 N 2.70 0.18 -4.23 2.29 2.03 -1.17 -3.44 116.42 114.78 2wpm h ASP 109 Ca -0.47 -0.21 -0.57 0.00 -0.73 0.00 0.00 57.03 55.04 2wpm h ASP 109 Cb 1.17 -0.05 -0.30 0.00 -0.83 0.00 0.00 39.33 39.33 2wpm h ASP 109 CO 0.68 0.34 -0.84 -1.61 -1.03 0.00 0.00 179.24 176.78 2wpm s GLU 110 N -5.37 1.64 0.53 4.15 0.41 -1.26 -5.06 118.70 113.74 2wpm s GLU 110 Ca -0.14 -0.67 -0.22 0.00 -0.41 0.00 0.00 54.97 53.53 2wpm s GLU 110 Cb 0.06 -1.53 -0.06 0.00 -1.78 0.00 0.00 34.13 30.82 2wpm s GLU 110 CO 0.70 0.36 1.34 -0.35 -0.49 0.00 0.00 175.26 176.82 2wpm n PRO 111 N 2.77 1.75 -2.57 0.39 -0.04 -1.26 -4.94 135.00 131.10 2wpm n PRO 111 Ca -0.16 0.64 -0.33 0.00 -0.04 0.00 0.00 63.50 63.61 2wpm n PRO 111 Cb 0.53 -2.55 -0.05 0.00 -0.04 0.00 0.00 33.50 31.40 2wpm n PRO 111 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wpm s LEU 112 N -3.12 3.79 -0.40 1.53 1.43 -0.53 -5.01 118.68 116.37 2wpm s LEU 112 Ca 0.69 1.72 -0.14 0.00 -1.03 0.00 0.00 54.13 55.37 2wpm s LEU 112 Cb -0.43 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.27 2wpm s LEU 112 CO 0.51 -0.59 0.28 -0.69 0.23 0.00 0.00 176.35 176.09 2wpm s VAL 113 N -2.29 5.20 0.25 -1.59 1.01 -1.26 -4.81 120.40 116.91 2wpm s VAL 113 Ca 0.62 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.70 2wpm s VAL 113 Cb -0.11 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 2wpm s VAL 113 CO 0.22 -0.26 1.36 -0.76 0.00 0.00 0.00 175.10 175.66 2wpm s LEU 114 N 1.68 4.41 0.00 3.92 1.43 -1.26 -4.81 118.68 124.04 2wpm s LEU 114 Ca 0.05 2.56 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 2wpm s LEU 114 Cb -0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2wpm s LEU 114 CO 0.10 -0.59 0.00 -0.46 0.23 0.00 0.00 176.35 175.62 2wpm n ASN 115 N 2.14 0.00 0.30 2.29 0.23 -0.78 -4.98 115.26 114.46 2wpm n ASN 115 Ca 0.05 -0.54 0.20 0.00 -0.53 0.00 0.00 54.58 53.76 2wpm n ASN 115 Cb 0.42 0.00 1.02 0.00 -2.08 0.00 0.00 39.78 39.14 2wpm n ASN 115 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2wpm h SER 116 N 0.00 0.00 -0.01 0.53 0.02 -2.00 -2.60 113.55 109.49 2wpm h SER 116 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wpm h SER 116 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wpm h SER 116 CO 0.00 0.00 -0.20 -1.22 -1.14 0.00 0.00 176.83 174.27 2wpm n TYR 117 N -2.99 0.00 -3.61 3.45 4.01 -1.26 -4.78 117.16 111.98 2wpm n TYR 117 Ca -0.02 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.43 2wpm n TYR 117 Cb 0.13 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.03 2wpm n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2wpm s VAL 118 N -1.35 0.98 -0.02 -0.72 1.01 -0.98 -3.50 120.40 115.82 2wpm s VAL 118 Ca 0.09 -2.41 0.04 0.00 0.00 0.00 0.00 61.98 59.70 2wpm s VAL 118 Cb 0.08 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 2wpm s VAL 118 CO 0.25 -0.97 -0.13 -0.89 0.00 0.00 0.00 175.10 173.35 2wpm s THR 119 N 0.43 1.09 1.04 3.92 2.01 -0.76 -1.87 115.64 121.49 2wpm s THR 119 Ca 0.20 -0.56 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 2wpm s THR 119 Cb -0.19 -0.92 0.21 0.00 0.01 0.00 0.00 72.50 71.61 2wpm s THR 119 CO -0.03 0.31 1.08 -2.84 -0.69 0.00 0.00 174.62 172.45 2wpm s PRO 120 N -0.13 0.10 0.03 4.92 0.02 -1.26 -2.53 135.00 136.14 2wpm s PRO 120 Ca 0.02 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.67 2wpm s PRO 120 Cb -0.07 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.72 2wpm s PRO 120 CO 0.00 -2.99 0.11 -1.50 -0.33 0.00 0.00 177.00 172.30 2wpm s ILE 121 N -2.82 4.84 0.36 2.83 2.07 -0.29 -4.73 121.20 123.47 2wpm s ILE 121 Ca 0.66 -0.48 -0.24 0.00 -1.41 0.00 0.00 60.65 59.18 2wpm s ILE 121 Cb -0.20 -3.28 -0.10 0.00 0.13 0.00 0.00 42.46 39.01 2wpm s ILE 121 CO 0.59 0.25 0.94 0.00 -1.91 0.00 0.00 174.94 174.82 2wpm s ILE 123 N -1.84 0.74 0.86 0.00 1.01 -1.26 -1.11 121.20 119.61 2wpm s ILE 123 Ca 0.55 -0.67 -0.12 0.00 0.00 0.00 0.00 60.65 60.41 2wpm s ILE 123 Cb -0.15 -1.18 0.15 0.00 0.01 0.00 0.00 42.46 41.30 2wpm s ILE 123 CO 0.19 -0.16 1.20 0.00 0.00 0.00 0.00 174.94 176.18 2wpm s ALA 124 N 1.76 2.67 1.12 9.38 0.00 -1.26 -5.06 121.76 130.38 2wpm s ALA 124 Ca -0.02 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.59 2wpm s ALA 124 Cb -0.17 -2.65 0.25 0.00 0.00 0.00 0.00 23.12 20.55 2wpm s ALA 124 CO -0.07 -2.01 1.14 0.16 0.00 0.00 0.00 175.76 174.98 2wpm s ASP 125 N -4.77 1.64 0.13 0.00 1.47 -1.26 -4.61 116.67 109.26 2wpm s ASP 125 Ca 0.69 0.68 -0.24 0.00 1.18 0.00 0.00 52.55 54.86 2wpm s ASP 125 Cb -0.06 -0.98 -0.03 0.00 -0.34 0.00 0.00 42.92 41.50 2wpm s ASP 125 CO 0.50 -3.69 1.64 0.50 0.68 0.00 0.00 175.17 174.80 2wpm h LYS 126 N -2.28 -0.32 -0.19 2.11 3.64 -1.96 0.83 116.57 118.40 2wpm h LYS 126 Ca -0.47 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.96 2wpm h LYS 126 Cb 1.29 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2wpm h LYS 126 CO 0.40 -0.21 0.05 1.49 -2.27 0.00 0.00 179.45 178.90 2wpm h GLU 126 N -0.33 0.12 -0.02 1.90 4.81 -1.92 -2.41 114.58 116.73 2wpm h GLU 126 Ca 0.08 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 59.12 2wpm h GLU 126 Cb 0.45 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2wpm h GLU 126 CO -0.26 0.08 -0.80 1.88 -0.73 0.00 0.00 179.01 179.18 2wpm h TYR 126 N 0.13 0.32 -0.67 0.92 -1.99 -1.88 -1.62 116.97 112.18 2wpm h TYR 126 Ca 0.09 -0.16 -0.01 0.00 2.00 0.00 0.00 58.73 60.64 2wpm h TYR 126 Cb 0.07 -0.04 -0.03 0.00 2.00 0.00 0.00 36.73 38.73 2wpm h TYR 126 CO -0.13 0.93 0.37 1.15 -0.00 0.00 0.00 178.16 180.48 2wpm h THR 127 N 0.14 1.21 0.00 -2.88 2.02 -0.76 0.22 112.91 112.86 2wpm h THR 127 Ca -0.03 -0.51 -0.08 0.00 0.77 0.00 0.00 66.41 66.56 2wpm h THR 127 Cb 1.39 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2wpm h THR 127 CO 0.12 0.22 -0.37 -1.13 0.37 0.00 0.00 175.52 174.74 2wpm h ASN 128 N 0.91 0.00 -0.15 4.18 -1.24 -1.34 -1.35 115.58 116.59 2wpm h ASN 128 Ca 0.24 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.08 2wpm h ASN 128 Cb 0.03 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.08 2wpm h ASN 128 CO -0.04 0.37 -0.55 0.40 -1.29 0.00 0.00 177.43 176.32 2wpm h ILE 129 N 0.00 1.33 -0.50 2.57 2.04 -0.25 -2.39 117.51 120.31 2wpm h ILE 129 Ca -0.00 -1.81 -0.07 0.00 1.00 0.00 0.00 64.86 63.97 2wpm h ILE 129 Cb 0.75 2.03 -0.02 0.00 -0.74 0.00 0.00 36.82 38.84 2wpm h ILE 129 CO 0.05 0.56 0.01 -0.26 0.00 0.00 0.00 178.15 178.51 2wpm h PHE 130 N 0.30 0.87 -0.60 1.37 0.04 -0.27 -2.59 116.94 116.07 2wpm h PHE 130 Ca -0.03 -0.12 -0.01 0.00 2.80 0.00 0.00 57.97 60.61 2wpm h PHE 130 Cb 1.18 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.06 2wpm h PHE 130 CO 0.10 0.80 0.34 1.25 -0.60 0.00 0.00 178.31 180.20 2wpm h LEU 131 N 0.77 0.74 0.00 1.54 6.46 -1.21 -1.85 115.31 121.76 2wpm h LEU 131 Ca 0.15 -0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2wpm h LEU 131 Cb 0.45 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2wpm h LEU 131 CO 0.02 0.61 0.00 0.29 -0.62 0.00 0.00 178.44 178.74 2wpm n LYS 132 N -4.59 0.15 0.28 1.25 5.02 -0.91 -1.32 118.16 118.05 2wpm n LYS 132 Ca 0.04 0.19 0.15 0.00 -2.02 0.00 0.00 58.31 56.67 2wpm n LYS 132 Cb 0.08 -1.50 0.85 0.00 -0.02 0.00 0.00 35.03 34.44 2wpm n LYS 132 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2wpm h PHE 133 N 0.00 0.00 0.00 2.13 0.04 -1.17 -3.46 116.94 114.48 2wpm h PHE 133 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 2wpm h PHE 133 Cb 0.11 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.26 2wpm h PHE 133 CO 0.00 0.06 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 2wpm n GLY 134 N -0.88 0.80 2.81 -1.45 0.00 -0.44 -5.01 105.19 101.02 2wpm n GLY 134 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 2wpm n GLY 134 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wpm s SER 135 N -2.66 0.55 0.23 1.61 0.15 -1.26 -0.65 113.70 111.66 2wpm s SER 135 Ca 0.00 0.23 -0.03 0.00 0.70 0.00 0.00 55.95 56.84 2wpm s SER 135 Cb 0.00 0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.39 2wpm s SER 135 CO 0.00 -0.21 0.25 -0.83 1.20 0.00 0.00 173.24 173.65 2wpm s GLY 136 N 1.84 1.28 0.00 9.45 0.00 -1.12 -4.56 107.32 114.21 2wpm s GLY 136 Ca -0.01 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.26 2wpm s GLY 136 CO -0.05 -1.19 -0.18 -0.19 0.00 0.00 0.00 173.10 171.49 2wpm s TYR 137 N -4.01 2.57 0.11 1.90 1.51 0.61 -0.95 117.35 119.10 2wpm s TYR 137 Ca 0.34 -0.25 0.11 0.00 -1.01 0.00 0.00 57.07 56.26 2wpm s TYR 137 Cb 0.04 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 2wpm s TYR 137 CO 0.13 0.18 -0.26 0.14 -1.11 0.00 0.00 175.55 174.62 2wpm s VAL 138 N -0.81 2.27 0.09 0.71 -7.23 0.00 -0.50 120.40 114.94 2wpm s VAL 138 Ca 0.13 -1.68 -0.08 0.00 -1.81 0.00 0.00 61.98 58.53 2wpm s VAL 138 Cb -0.10 -1.99 -0.00 0.00 0.56 0.00 0.00 36.38 34.84 2wpm s VAL 138 CO 0.03 0.14 0.18 -0.94 -0.31 0.00 0.00 175.10 174.20 2wpm s SER 139 N -1.92 0.13 0.00 4.85 1.04 -1.24 -1.01 113.70 115.55 2wpm s SER 139 Ca 0.14 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.90 2wpm s SER 139 Cb -0.10 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.35 2wpm s SER 139 CO 0.06 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2wpm n GLY 140 N -0.06 1.33 1.59 7.32 0.00 -0.67 -4.55 105.19 110.15 2wpm n GLY 140 Ca -0.15 -1.10 -0.04 0.00 0.00 0.00 0.00 46.02 44.73 2wpm n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2wpm n TRP 141 N -0.86 1.88 -0.61 1.61 8.01 -1.26 -2.23 117.44 123.97 2wpm n TRP 141 Ca 0.00 -1.29 0.00 0.00 -1.31 0.00 0.00 57.50 54.90 2wpm n TRP 141 Cb 0.00 -0.59 0.00 0.00 -2.01 0.00 0.00 31.31 28.71 2wpm n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wpm n GLY 142 N -0.56 -2.12 3.77 6.99 0.00 -1.26 -1.72 105.19 110.28 2wpm n GLY 142 Ca 0.37 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2wpm n GLY 142 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpm s ARG 143 N -2.98 4.32 -0.01 1.61 0.52 -0.22 -3.12 118.95 119.08 2wpm s ARG 143 Ca 0.00 2.25 0.14 0.00 -0.52 0.00 0.00 55.73 57.60 2wpm s ARG 143 Cb 0.00 -3.07 -0.19 0.00 0.52 0.00 0.00 34.95 32.20 2wpm s ARG 143 CO 0.00 -0.25 0.41 1.33 0.02 0.00 0.00 175.30 176.81 2wpm n VAL 144 N 1.04 0.00 -4.19 3.52 0.24 -1.25 -0.89 118.33 116.80 2wpm n VAL 144 Ca 0.01 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 61.93 2wpm n VAL 144 Cb 0.41 0.48 -0.10 0.00 -1.47 0.00 0.00 33.84 33.16 2wpm n VAL 144 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 2wpm s PHE 145 N -2.73 1.00 -0.08 6.34 0.08 -1.26 -4.43 117.98 116.90 2wpm s PHE 145 Ca -0.01 -1.04 -0.32 0.00 0.12 0.00 0.00 56.93 55.67 2wpm s PHE 145 Cb 0.10 -0.58 -0.10 0.00 -0.57 0.00 0.00 43.02 41.86 2wpm s PHE 145 CO 0.58 -0.27 1.97 1.58 -0.10 0.00 0.00 175.22 178.97 2wpm n HIS 147 N -0.13 2.31 -2.34 0.36 -0.00 -1.26 -1.06 115.22 113.10 2wpm n HIS 147 Ca -0.08 -0.12 -0.21 0.00 -0.00 0.00 0.00 57.72 57.31 2wpm n HIS 147 Cb 0.62 -2.71 -0.02 0.00 -0.00 0.00 0.00 29.99 27.89 2wpm n HIS 147 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wpm n LYS 148 N 7.25 -1.64 -2.83 1.57 5.02 -1.26 -4.98 118.16 121.29 2wpm n LYS 148 Ca 0.24 1.02 -0.24 0.00 -2.02 0.00 0.00 58.31 57.31 2wpm n LYS 148 Cb 0.34 -5.65 0.02 0.00 -0.02 0.00 0.00 35.03 29.71 2wpm n LYS 148 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wpm s GLY 149 N -2.12 1.58 0.34 0.72 0.00 -0.23 -5.11 107.32 102.51 2wpm s GLY 149 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.75 2wpm s GLY 149 CO 0.00 -0.76 0.47 0.54 0.00 0.00 0.00 173.10 173.35 2wpm n ARG 150 N -2.21 0.10 -1.47 2.90 1.74 -1.26 -4.73 116.66 111.73 2wpm n ARG 150 Ca 0.02 -1.13 -0.37 0.00 -0.77 0.00 0.00 57.85 55.61 2wpm n ARG 150 Cb 0.58 -0.36 0.06 0.00 -1.02 0.00 0.00 32.46 31.72 2wpm n ARG 150 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wpm n ALA 151 N -3.05 -0.36 -2.27 7.54 0.00 -1.26 -4.38 120.51 116.72 2wpm n ALA 151 Ca -0.08 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.87 2wpm n ALA 151 Cb 0.26 -2.04 -0.06 0.00 0.00 0.00 0.00 19.45 17.61 2wpm n ALA 151 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wpm s ALA 152 N -1.69 3.45 0.14 0.00 0.00 -0.70 -4.95 121.76 118.01 2wpm s ALA 152 Ca 0.73 0.21 -0.07 0.00 0.00 0.00 0.00 51.96 52.84 2wpm s ALA 152 Cb -0.39 -2.87 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2wpm s ALA 152 CO 0.50 0.21 1.38 -0.07 0.00 0.00 0.00 175.76 177.78 2wpm h LEU 153 N 5.07 0.71 -9.14 0.00 3.38 -1.93 -3.44 115.31 109.97 2wpm h LEU 153 Ca -0.46 -0.46 -0.63 0.00 0.09 0.00 0.00 57.88 56.42 2wpm h LEU 153 Cb 1.21 -0.21 -0.16 0.00 0.09 0.00 0.00 40.66 41.59 2wpm h LEU 153 CO 0.68 1.23 -0.57 -0.69 0.09 0.00 0.00 178.44 179.17 2wpm s VAL 154 N -3.69 4.69 0.21 1.22 1.01 -1.26 -0.09 120.40 122.49 2wpm s VAL 154 Ca -0.08 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 2wpm s VAL 154 Cb 0.10 -3.09 -0.15 0.00 0.00 0.00 0.00 36.38 33.24 2wpm s VAL 154 CO 0.87 0.49 1.10 -0.11 0.00 0.00 0.00 175.10 177.45 2wpm n LEU 155 N 3.24 1.52 -4.56 3.92 7.94 -0.36 -4.85 117.00 123.84 2wpm n LEU 155 Ca -0.17 1.15 -0.26 0.00 -1.11 0.00 0.00 56.01 55.62 2wpm n LEU 155 Cb 0.53 -1.23 -0.09 0.00 0.53 0.00 0.00 43.42 43.15 2wpm n LEU 155 CO 0.34 -1.38 -0.41 -1.10 -1.11 0.00 0.00 177.39 173.72 2wpm s GLN 156 N -0.75 2.03 0.01 1.96 -1.52 -0.95 -1.19 119.66 119.25 2wpm s GLN 156 Ca 0.68 -1.32 -0.10 0.00 -1.95 0.00 0.00 55.36 52.68 2wpm s GLN 156 Cb -0.81 -2.12 0.01 0.00 -0.22 0.00 0.00 33.01 29.87 2wpm s GLN 156 CO 0.55 0.42 0.19 1.52 -0.25 0.00 0.00 175.29 177.72 2wpm s TYR 157 N -1.80 -0.01 -0.07 0.91 -0.85 -0.46 -1.67 117.35 113.39 2wpm s TYR 157 Ca 0.25 -0.07 -0.15 0.00 -0.52 0.00 0.00 57.07 56.59 2wpm s TYR 157 Cb -0.08 -0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.28 2wpm s TYR 157 CO 0.15 -0.34 0.36 -1.17 -1.52 0.00 0.00 175.55 173.03 2wpm s LEU 158 N -1.53 0.64 -0.22 -3.49 2.96 -0.18 -1.41 118.68 115.46 2wpm s LEU 158 Ca -0.12 0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 54.08 2wpm s LEU 158 Cb -0.06 1.34 -0.05 0.00 0.50 0.00 0.00 46.19 47.93 2wpm s LEU 158 CO 0.01 -0.31 0.27 -0.60 -1.32 0.00 0.00 176.35 174.40 2wpm s ARG 159 N -0.62 4.13 -0.07 1.98 3.52 -1.26 -0.82 118.95 125.81 2wpm s ARG 159 Ca -0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.51 2wpm s ARG 159 Cb -0.04 -3.53 0.01 0.00 -1.56 0.00 0.00 34.95 29.84 2wpm s ARG 159 CO 0.03 0.04 -0.15 0.14 -0.81 0.00 0.00 175.30 174.55 2wpm s VAL 160 N 1.09 1.33 0.42 7.11 -7.23 -0.12 -4.99 120.40 118.02 2wpm s VAL 160 Ca 0.13 -0.59 -0.23 0.00 -1.81 0.00 0.00 61.98 59.48 2wpm s VAL 160 Cb -0.14 -1.19 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2wpm s VAL 160 CO 0.06 0.40 1.04 -2.16 -0.31 0.00 0.00 175.10 174.12 2wpm s PRO 161 N 0.59 4.07 0.51 4.82 0.04 -1.26 -2.79 135.00 140.98 2wpm s PRO 161 Ca -0.15 1.44 -0.20 0.00 0.04 0.00 0.00 61.00 62.12 2wpm s PRO 161 Cb -0.16 -2.39 -0.07 0.00 0.04 0.00 0.00 34.50 31.92 2wpm s PRO 161 CO 0.05 -0.21 1.11 -1.17 0.04 0.00 0.00 177.00 176.82 2wpm s LEU 162 N -2.91 3.82 -0.10 -3.56 2.96 0.18 -2.00 118.68 117.06 2wpm s LEU 162 Ca 0.61 2.14 0.02 0.00 -0.22 0.00 0.00 54.13 56.67 2wpm s LEU 162 Cb -0.19 -4.52 -0.02 0.00 0.50 0.00 0.00 46.19 41.96 2wpm s LEU 162 CO 0.24 -1.06 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.37 2wpm s VAL 163 N -1.78 2.88 0.48 1.68 1.01 -0.73 -4.87 120.40 119.07 2wpm s VAL 163 Ca 0.70 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2wpm s VAL 163 Cb -0.23 -2.17 -0.09 0.00 0.00 0.00 0.00 36.38 33.90 2wpm s VAL 163 CO 0.26 0.55 1.01 -0.67 0.00 0.00 0.00 175.10 176.25 2wpm n ASP 164 N 3.23 1.17 -0.22 3.32 -0.08 -1.26 -4.54 116.55 118.16 2wpm n ASP 164 Ca -0.18 0.96 -0.03 0.00 -1.51 0.00 0.00 54.79 54.03 2wpm n ASP 164 Cb 0.53 -1.37 0.08 0.00 2.34 0.00 0.00 41.12 42.69 2wpm n ASP 164 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2wpm h ARG 165 N 1.23 0.70 -0.92 -0.67 2.43 -1.98 -2.51 114.38 112.66 2wpm h ARG 165 Ca -0.46 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2wpm h ARG 165 Cb 1.34 -0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 30.69 2wpm h ARG 165 CO 0.55 0.46 0.59 0.00 -1.51 0.00 0.00 179.97 180.06 2wpm h ALA 166 N 1.30 1.31 -0.41 2.80 0.00 -2.00 -0.86 119.26 121.41 2wpm h ALA 166 Ca 0.27 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2wpm h ALA 166 Cb 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 2wpm h ALA 166 CO -0.14 0.62 -0.09 1.15 0.00 0.00 0.00 179.25 180.80 2wpm h THR 167 N 1.25 1.25 0.30 0.00 2.02 -1.87 -2.48 112.91 113.38 2wpm h THR 167 Ca 0.33 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.40 2wpm h THR 167 Cb -0.11 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.32 2wpm h THR 167 CO -0.07 0.37 -0.15 0.00 0.37 0.00 0.00 175.52 176.05 2wpm h LEU 169 N -0.42 0.49 0.00 0.00 4.07 -1.04 -2.20 115.31 116.20 2wpm h LEU 169 Ca -0.04 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2wpm h LEU 169 Cb 0.32 -0.06 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2wpm h LEU 169 CO 0.07 0.32 0.00 0.54 -1.08 0.00 0.00 178.44 178.28 2wpm n ARG 170 N -4.82 0.21 0.02 1.13 1.74 -0.95 -3.19 116.66 110.80 2wpm n ARG 170 Ca 0.08 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2wpm n ARG 170 Cb 0.18 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.23 2wpm n ARG 170 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2wpm n SER 171 N -1.33 0.63 -3.86 0.55 3.41 -0.83 -4.96 113.62 107.22 2wpm n SER 171 Ca 0.08 -0.22 -0.11 0.00 -0.26 0.00 0.00 58.87 58.35 2wpm n SER 171 Cb 0.16 0.53 -0.10 0.00 -0.26 0.00 0.00 64.21 64.55 2wpm n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2wpm s THR 172 N -3.12 0.08 0.19 6.66 -1.32 -1.19 -4.79 115.64 112.16 2wpm s THR 172 Ca 0.07 -0.69 0.03 0.00 -1.21 0.00 0.00 61.69 59.88 2wpm s THR 172 Cb 0.15 -0.48 -0.10 0.00 -1.51 0.00 0.00 72.50 70.56 2wpm s THR 172 CO 0.76 -0.38 1.46 0.11 -2.21 0.00 0.00 174.62 174.36 2wpm h LYS 173 N 4.17 0.25 -7.07 7.08 1.79 -1.93 -3.45 116.57 117.40 2wpm h LYS 173 Ca -0.31 -0.21 -0.51 0.00 -2.18 0.00 0.00 60.65 57.44 2wpm h LYS 173 Cb 1.19 0.05 0.08 0.00 -1.58 0.00 0.00 32.23 31.97 2wpm h LYS 173 CO 0.41 0.88 0.46 -0.06 -1.08 0.00 0.00 179.45 180.06 2wpm s PHE 174 N -3.49 2.61 -0.02 -1.35 0.08 -1.26 -4.98 117.98 109.57 2wpm s PHE 174 Ca -0.04 1.53 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 2wpm s PHE 174 Cb 0.11 -3.37 -0.04 0.00 -0.57 0.00 0.00 43.02 39.15 2wpm s PHE 174 CO 0.82 -1.79 1.17 0.99 -0.10 0.00 0.00 175.22 176.32 2wpm s THR 175 N -1.67 4.26 -0.41 0.64 2.01 -1.26 -5.01 115.64 114.19 2wpm s THR 175 Ca 0.73 1.60 -0.13 0.00 0.31 0.00 0.00 61.69 64.20 2wpm s THR 175 Cb -0.27 -4.03 0.04 0.00 0.01 0.00 0.00 72.50 68.26 2wpm s THR 175 CO 0.30 0.05 0.29 -0.63 -0.69 0.00 0.00 174.62 173.94 2wpm s ILE 176 N 1.75 4.89 0.69 1.82 -1.09 -1.26 -5.04 121.20 122.97 2wpm s ILE 176 Ca 0.56 -0.92 -0.08 0.00 -2.23 0.00 0.00 60.65 57.98 2wpm s ILE 176 Cb -0.26 -3.81 0.05 0.00 -1.58 0.00 0.00 42.46 36.87 2wpm s ILE 176 CO 0.25 -0.38 1.02 0.42 -1.23 0.00 0.00 174.94 175.02 2wpm s THR 177 N 1.59 2.64 -1.87 2.92 -4.23 -1.26 -4.94 115.64 110.49 2wpm s THR 177 Ca 0.03 -0.11 0.13 0.00 -1.18 0.00 0.00 61.69 60.57 2wpm s THR 177 Cb -0.21 -3.14 0.35 0.00 1.34 0.00 0.00 72.50 70.84 2wpm s THR 177 CO 0.07 -0.16 1.26 -0.46 -0.54 0.00 0.00 174.62 174.79 2wpm n ASN 178 N -2.91 0.00 -1.83 3.99 0.23 -1.26 -1.40 115.26 112.08 2wpm n ASN 178 Ca 0.07 -0.31 0.07 0.00 -0.53 0.00 0.00 54.58 53.88 2wpm n ASN 178 Cb 0.60 -0.06 0.40 0.00 -2.08 0.00 0.00 39.78 38.63 2wpm n ASN 178 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2wpm n ASN 179 N -1.06 5.62 -3.95 0.53 3.02 -1.26 -4.90 115.26 113.25 2wpm n ASN 179 Ca 0.09 -2.92 -0.09 0.00 -0.03 0.00 0.00 54.58 51.64 2wpm n ASN 179 Cb 0.06 -0.68 -0.08 0.00 -0.61 0.00 0.00 39.78 38.48 2wpm n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wpm s MET 180 N -2.73 0.91 0.03 3.52 -1.94 -0.49 -1.62 119.30 116.97 2wpm s MET 180 Ca 0.54 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 53.30 2wpm s MET 180 Cb 0.41 0.32 0.01 0.00 2.01 0.00 0.00 34.83 37.58 2wpm s MET 180 CO 0.16 -0.29 0.22 -0.59 -0.01 0.00 0.00 175.02 174.52 2wpm s PHE 181 N -3.92 -0.00 0.09 -0.03 -0.12 -0.38 -4.75 117.98 108.87 2wpm s PHE 181 Ca 0.11 -0.16 -0.04 0.00 -0.05 0.00 0.00 56.93 56.80 2wpm s PHE 181 Cb 0.05 0.01 -0.05 0.00 -0.63 0.00 0.00 43.02 42.40 2wpm s PHE 181 CO -0.06 -0.43 0.30 0.00 -0.05 0.00 0.00 175.22 174.98 2wpm s ALA 183 N -1.54 -1.24 0.00 0.00 0.00 -0.88 -1.78 121.76 116.32 2wpm s ALA 183 Ca 0.37 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2wpm s ALA 183 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2wpm s ALA 183 CO 0.24 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.17 2wpm n GLY 184 N 2.64 1.40 3.92 0.00 0.00 -0.85 -1.29 105.19 111.02 2wpm n GLY 184 Ca -0.14 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 2wpm n GLY 184 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wpm s PHE 184 N -1.90 3.47 0.23 1.61 0.40 -1.26 -4.42 117.98 116.11 2wpm s PHE 184 Ca 0.00 0.16 -0.06 0.00 -0.60 0.00 0.00 56.93 56.43 2wpm s PHE 184 Cb 0.00 -1.69 0.36 0.00 0.51 0.00 0.00 43.02 42.19 2wpm s PHE 184 CO 0.00 0.55 1.78 1.25 0.70 0.00 0.00 175.22 179.49 2wpm h HIS 185 N 2.57 0.64 0.00 0.36 -0.00 -1.99 -2.13 115.15 114.61 2wpm h HIS 185 Ca -0.47 0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 59.86 2wpm h HIS 185 Cb 1.18 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.40 2wpm h HIS 185 CO 0.57 0.22 -0.36 0.93 -0.00 0.00 0.00 177.93 179.29 2wpm h GLU 186 N 0.60 0.00 0.00 5.26 4.39 -1.95 -3.21 114.58 119.66 2wpm h GLU 186 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 2wpm h GLU 186 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2wpm h GLU 186 CO -0.28 0.36 0.00 0.41 -1.16 0.00 0.00 179.01 178.33 2wpm n GLY 187 N 0.43 -1.71 1.93 -3.84 0.00 -0.80 -4.11 105.19 97.09 2wpm n GLY 187 Ca 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.47 2wpm n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wpm n GLY 188 N 0.00 3.24 2.81 -0.02 0.00 0.15 -4.83 105.19 106.55 2wpm n GLY 188 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 2wpm n GLY 188 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wpm s ARG 188 N -0.52 0.96 0.17 1.61 0.52 -1.26 -3.75 118.95 116.68 2wpm s ARG 188 Ca 0.00 -0.27 -0.23 0.00 -0.52 0.00 0.00 55.73 54.71 2wpm s ARG 188 Cb 0.00 -1.67 0.06 0.00 0.52 0.00 0.00 34.95 33.86 2wpm s ARG 188 CO 0.00 -0.44 0.69 0.34 0.02 0.00 0.00 175.30 175.91 2wpm s ASP 189 N 1.81 -0.44 0.71 0.23 2.15 -0.52 -4.47 116.67 116.13 2wpm s ASP 189 Ca 0.02 -0.17 -0.10 0.00 0.43 0.00 0.00 52.55 52.73 2wpm s ASP 189 Cb -0.15 0.60 0.04 0.00 -0.30 0.00 0.00 42.92 43.11 2wpm s ASP 189 CO -0.07 -1.01 1.06 -0.94 -0.17 0.00 0.00 175.17 174.04 2wpm s SER 190 N -2.77 5.12 0.14 -0.34 1.04 -1.26 0.17 113.70 115.81 2wpm s SER 190 Ca 0.05 0.84 -0.03 0.00 0.48 0.00 0.00 55.95 57.28 2wpm s SER 190 Cb -0.02 -1.57 0.01 0.00 0.10 0.00 0.00 66.02 64.54 2wpm s SER 190 CO -0.07 -1.47 0.25 0.00 0.98 0.00 0.00 173.24 172.93 2wpm n GLN 192 N -0.21 1.06 0.00 0.00 1.13 -1.26 0.04 117.38 118.12 2wpm n GLN 192 Ca -0.02 0.38 0.00 0.00 -1.94 0.00 0.00 57.00 55.42 2wpm n GLN 192 Cb 0.23 -1.96 0.00 0.00 0.11 0.00 0.00 30.24 28.62 2wpm n GLN 192 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2wpm n GLY 193 N 2.29 3.16 0.07 1.08 0.00 -1.26 -1.05 105.19 109.48 2wpm n GLY 193 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2wpm n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wpm n ASP 194 N 0.07 0.67 -4.48 1.61 8.00 0.11 -3.61 116.55 118.92 2wpm n ASP 194 Ca 0.00 0.36 -0.41 0.00 0.71 0.00 0.00 54.79 55.45 2wpm n ASP 194 Cb 0.00 -0.37 0.01 0.00 -0.02 0.00 0.00 41.12 40.75 2wpm n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2wpm n SER 195 N -2.08 -0.65 0.00 -2.24 7.64 -1.26 -1.35 113.62 113.68 2wpm n SER 195 Ca 0.05 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.81 2wpm n SER 195 Cb 0.42 -1.16 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2wpm n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wpm n GLY 196 N 1.71 3.06 3.73 0.23 0.00 -0.67 0.13 105.19 113.38 2wpm n GLY 196 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 2wpm n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wpm s GLY 197 N -1.84 1.86 0.21 -0.02 0.00 -0.46 -3.45 107.32 103.63 2wpm s GLY 197 Ca 0.00 0.53 -0.17 0.00 0.00 0.00 0.00 44.72 45.08 2wpm s GLY 197 CO 0.00 0.91 0.66 2.56 0.00 0.00 0.00 173.10 177.23 2wpm s PRO 198 N -4.54 4.10 -0.31 2.90 0.04 -1.26 -0.77 135.00 135.16 2wpm s PRO 198 Ca 0.66 0.68 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 2wpm s PRO 198 Cb -0.22 -2.82 0.01 0.00 0.04 0.00 0.00 34.50 31.51 2wpm s PRO 198 CO 0.53 0.38 0.12 -1.58 0.04 0.00 0.00 177.00 176.49 2wpm s HIS 199 N -1.59 3.17 0.10 0.56 2.46 -0.26 -3.71 115.29 116.03 2wpm s HIS 199 Ca 0.43 -0.88 0.08 0.00 0.47 0.00 0.00 55.06 55.17 2wpm s HIS 199 Cb -0.15 -2.30 -0.04 0.00 -0.13 0.00 0.00 32.58 29.96 2wpm s HIS 199 CO 0.20 -0.55 -0.17 0.14 -2.47 0.00 0.00 174.74 171.88 2wpm s VAL 200 N 1.53 2.90 -0.17 0.89 -7.23 0.35 -1.34 120.40 117.32 2wpm s VAL 200 Ca 0.03 -1.43 -0.01 0.00 -1.81 0.00 0.00 61.98 58.76 2wpm s VAL 200 Cb -0.17 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 2wpm s VAL 200 CO 0.04 0.13 -0.13 -0.89 -0.31 0.00 0.00 175.10 173.94 2wpm s THR 201 N -1.12 2.78 -0.39 5.32 2.01 -0.24 -0.29 115.64 123.72 2wpm s THR 201 Ca 0.18 -0.72 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 2wpm s THR 201 Cb -0.11 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.22 2wpm s THR 201 CO 0.10 0.50 0.95 -0.70 -0.69 0.00 0.00 174.62 174.78 2wpm s GLU 202 N 1.00 3.78 -0.43 4.92 2.12 -1.26 -0.81 118.70 128.01 2wpm s GLU 202 Ca -0.02 0.52 -0.06 0.00 0.36 0.00 0.00 54.97 55.78 2wpm s GLU 202 Cb -0.15 -3.83 0.11 0.00 0.26 0.00 0.00 34.13 30.52 2wpm s GLU 202 CO -0.02 -1.04 0.25 0.08 -0.54 0.00 0.00 175.26 173.99 2wpm s VAL 203 N 3.64 3.70 -0.98 3.70 1.01 0.23 -4.79 120.40 126.91 2wpm s VAL 203 Ca 0.39 -1.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 2wpm s VAL 203 Cb -0.11 -3.46 0.02 0.00 0.00 0.00 0.00 36.38 32.83 2wpm s VAL 203 CO 0.21 -0.69 0.63 -0.62 0.00 0.00 0.00 175.10 174.64 2wpm n GLU 204 N 4.74 -1.03 0.00 2.72 1.02 -1.26 -0.69 120.64 126.14 2wpm n GLU 204 Ca -0.05 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 2wpm n GLU 204 Cb 0.41 -2.30 0.00 0.00 -0.02 0.00 0.00 31.44 29.54 2wpm n GLU 204 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wpm n GLY 205 N -1.83 2.89 3.26 0.62 0.00 -1.26 -4.99 105.19 103.89 2wpm n GLY 205 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 2wpm n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wpm s THR 206 N -2.33 2.98 0.03 2.61 2.01 0.13 -5.11 115.64 115.96 2wpm s THR 206 Ca 0.00 -0.63 -0.18 0.00 0.31 0.00 0.00 61.69 61.19 2wpm s THR 206 Cb 0.00 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.12 2wpm s THR 206 CO 0.00 0.46 0.51 -0.44 -0.69 0.00 0.00 174.62 174.46 2wpm s SER 207 N 1.33 6.94 0.06 3.53 0.01 -1.26 0.75 113.70 125.05 2wpm s SER 207 Ca 0.04 1.11 0.09 0.00 1.31 0.00 0.00 55.95 58.50 2wpm s SER 207 Cb -0.14 -2.32 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 2wpm s SER 207 CO -0.05 0.26 -0.24 -0.36 0.41 0.00 0.00 173.24 173.25 2wpm s PHE 208 N -0.88 2.13 -0.24 2.43 0.40 0.00 -2.72 117.98 119.10 2wpm s PHE 208 Ca 0.27 -0.40 -0.29 0.00 -0.60 0.00 0.00 56.93 55.91 2wpm s PHE 208 Cb -0.18 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.09 2wpm s PHE 208 CO 0.16 0.14 1.22 -1.17 0.70 0.00 0.00 175.22 176.28 2wpm s LEU 209 N -1.34 4.03 -0.00 -0.37 2.96 -0.26 -1.07 118.68 122.63 2wpm s LEU 209 Ca 0.10 1.40 0.05 0.00 -0.22 0.00 0.00 54.13 55.46 2wpm s LEU 209 Cb -0.10 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.00 2wpm s LEU 209 CO 0.02 -0.88 0.20 0.35 -1.32 0.00 0.00 176.35 174.73 2wpm n THR 210 N 5.73 0.00 -3.59 3.68 -2.24 -0.45 -4.81 114.28 112.59 2wpm n THR 210 Ca 0.14 -0.38 -0.07 0.00 -2.27 0.00 0.00 64.05 61.46 2wpm n THR 210 Cb 0.46 0.99 -0.02 0.00 -2.10 0.00 0.00 70.33 69.66 2wpm n THR 210 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wpm s GLY 211 N -1.47 -0.39 -0.15 3.38 0.00 -0.80 -3.18 107.32 104.71 2wpm s GLY 211 Ca 0.02 0.56 0.02 0.00 0.00 0.00 0.00 44.72 45.31 2wpm s GLY 211 CO 0.20 0.17 -0.20 -0.42 0.00 0.00 0.00 173.10 172.85 2wpm s ILE 212 N -3.33 2.20 0.14 0.90 -1.09 -0.91 -1.10 121.20 118.01 2wpm s ILE 212 Ca 0.07 -0.92 -0.32 0.00 -2.23 0.00 0.00 60.65 57.25 2wpm s ILE 212 Cb -0.01 -1.90 -0.12 0.00 -1.58 0.00 0.00 42.46 38.85 2wpm s ILE 212 CO -0.05 0.54 1.76 -0.38 -1.23 0.00 0.00 174.94 175.58 2wpm n ILE 213 N 4.21 0.21 0.02 2.92 5.41 0.05 -0.89 119.36 131.29 2wpm n ILE 213 Ca -0.20 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.51 2wpm n ILE 213 Cb 0.51 -1.96 0.00 0.00 -0.71 0.00 0.00 39.64 37.48 2wpm n ILE 213 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2wpm n SER 214 N 4.81 0.12 -3.34 4.38 2.88 -1.11 -1.67 113.62 119.70 2wpm n SER 214 Ca 0.18 0.05 -0.02 0.00 -1.33 0.00 0.00 58.87 57.75 2wpm n SER 214 Cb 0.34 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.81 2wpm n SER 214 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2wpm n TRP 215 N -2.95 -1.21 -1.84 0.66 4.27 -0.99 -4.93 117.44 110.45 2wpm n TRP 215 Ca 0.00 -1.18 0.00 0.00 -3.89 0.00 0.00 57.50 52.43 2wpm n TRP 215 Cb 0.26 0.57 0.00 0.00 -1.36 0.00 0.00 31.31 30.78 2wpm n TRP 215 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2wpm n GLY 216 N -0.74 -1.29 3.12 -1.67 0.00 -1.26 -0.25 105.19 103.10 2wpm n GLY 216 Ca -0.01 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.72 2wpm n GLY 216 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wpm s GLU 217 N -0.99 2.05 3.03 1.61 2.02 -1.26 -4.99 118.70 120.17 2wpm s GLU 217 Ca 0.00 -1.67 0.00 0.00 0.02 0.00 0.00 54.97 53.32 2wpm s GLU 217 Cb 0.00 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.81 2wpm s GLU 217 CO 0.00 -0.93 0.00 0.39 0.02 0.00 0.00 175.26 174.74 2wpm n GLU 219 N 4.56 0.00 -3.86 1.61 1.02 -1.26 -4.74 120.64 117.97 2wpm n GLU 219 Ca -0.04 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.98 2wpm n GLU 219 Cb 0.42 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.71 2wpm n GLU 219 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wpm n ALA 221 N 2.95 0.00 -1.71 0.00 0.00 -1.26 -4.93 120.51 115.57 2wpm n ALA 221 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.88 2wpm n ALA 221 Cb 0.59 -0.75 -0.01 0.00 0.00 0.00 0.00 19.45 19.29 2wpm n ALA 221 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wpm n MET 221 N -2.00 2.24 -2.14 0.00 2.00 -1.26 0.33 117.12 116.29 2wpm n MET 221 Ca 0.00 0.79 -0.42 0.00 0.00 0.00 0.00 57.70 58.07 2wpm n MET 221 Cb 0.00 -2.43 -0.03 0.00 0.00 0.00 0.00 33.22 30.77 2wpm n MET 221 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 175.97 176.18 2wpm s LYS 222 N -1.48 4.33 0.00 0.03 2.20 -1.26 -1.97 119.74 121.59 2wpm s LYS 222 Ca 0.58 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 2wpm s LYS 222 Cb -0.56 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.56 2wpm s LYS 222 CO 0.59 -0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 2wpm n GLY 223 N 2.83 0.91 3.58 5.54 0.00 -1.22 -4.98 105.19 111.85 2wpm n GLY 223 Ca 0.09 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.87 2wpm n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wpm s LYS 224 N -0.57 2.05 0.03 1.61 -0.14 -0.83 -4.74 119.74 117.15 2wpm s LYS 224 Ca 0.00 -1.56 -0.01 0.00 -1.36 0.00 0.00 55.97 53.04 2wpm s LYS 224 Cb 0.00 -2.00 -0.03 0.00 -1.68 0.00 0.00 37.83 34.12 2wpm s LYS 224 CO 0.00 0.34 -0.02 0.71 -0.76 0.00 0.00 175.35 175.62 2wpm s TYR 225 N -2.40 0.35 0.34 3.18 2.02 -1.26 -4.80 117.35 114.78 2wpm s TYR 225 Ca 0.31 -0.73 -0.27 0.00 -0.37 0.00 0.00 57.07 56.01 2wpm s TYR 225 Cb -0.06 -0.26 -0.09 0.00 -0.40 0.00 0.00 41.96 41.15 2wpm s TYR 225 CO 0.18 -0.28 1.13 0.20 -1.57 0.00 0.00 175.55 175.21 2wpm s GLY 226 N -2.06 2.95 -0.13 0.71 0.00 -0.41 -4.64 107.32 103.75 2wpm s GLY 226 Ca -0.07 0.91 -0.03 0.00 0.00 0.00 0.00 44.72 45.54 2wpm s GLY 226 CO -0.05 1.46 -0.03 -0.42 0.00 0.00 0.00 173.10 174.07 2wpm s ILE 227 N -1.32 4.00 0.13 0.90 1.09 0.66 -2.07 121.20 124.58 2wpm s ILE 227 Ca 0.51 -0.34 0.09 0.00 -1.10 0.00 0.00 60.65 59.81 2wpm s ILE 227 Cb -0.30 -2.72 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 2wpm s ILE 227 CO 0.39 0.53 -0.22 -0.31 -0.10 0.00 0.00 174.94 175.23 2wpm s TYR 228 N -0.11 1.97 0.04 3.97 1.51 0.13 -2.34 117.35 122.51 2wpm s TYR 228 Ca 0.03 -0.41 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 2wpm s TYR 228 Cb -0.13 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2wpm s TYR 228 CO 0.02 0.28 1.15 0.99 -1.11 0.00 0.00 175.55 176.88 2wpm s THR 229 N -1.30 4.24 -0.84 -0.71 2.01 -0.06 -1.25 115.64 117.72 2wpm s THR 229 Ca 0.11 1.60 -0.25 0.00 0.31 0.00 0.00 61.69 63.46 2wpm s THR 229 Cb -0.09 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.41 2wpm s THR 229 CO 0.05 0.12 1.48 -0.75 -0.69 0.00 0.00 174.62 174.83 2wpm s LYS 230 N 1.11 3.19 0.36 4.92 2.20 -0.64 -2.14 119.74 128.75 2wpm s LYS 230 Ca 0.57 -0.45 0.12 0.00 -0.36 0.00 0.00 55.97 55.85 2wpm s LYS 230 Cb -0.27 -4.71 0.92 0.00 -1.51 0.00 0.00 37.83 32.25 2wpm s LYS 230 CO 0.28 -2.37 1.82 0.28 -0.36 0.00 0.00 175.35 175.00 2wpm h VAL 231 N 6.54 0.69 -1.00 4.02 2.07 -1.88 -2.28 116.25 124.41 2wpm h VAL 231 Ca -0.07 -0.20 0.27 0.00 0.82 0.00 0.00 66.70 67.52 2wpm h VAL 231 Cb 1.05 0.06 -0.06 0.00 -1.52 0.00 0.00 31.29 30.82 2wpm h VAL 231 CO 1.32 0.11 0.69 0.77 0.02 0.00 0.00 177.57 180.47 2wpm h SER 232 N 0.58 0.19 1.28 0.57 4.64 -1.88 0.38 113.55 119.32 2wpm h SER 232 Ca 0.52 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2wpm h SER 232 Cb 1.05 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2wpm h SER 232 CO -0.27 0.05 0.00 0.03 -0.87 0.00 0.00 176.83 175.77 2wpm h ARG 233 N 0.17 0.00 -0.07 4.77 2.47 -1.76 -3.24 114.38 116.73 2wpm h ARG 233 Ca 0.51 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 2wpm h ARG 233 Cb 1.69 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.01 2wpm h ARG 233 CO -0.11 0.00 0.00 0.66 0.56 0.00 0.00 179.97 181.08 2wpm n TYR 234 N -2.62 0.09 -0.23 3.04 4.01 0.12 -4.71 117.16 116.86 2wpm n TYR 234 Ca 0.03 -0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 2wpm n TYR 234 Cb 0.37 -0.02 0.12 0.00 -0.31 0.00 0.00 39.34 39.50 2wpm n TYR 234 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2wpm h VAL 235 N 0.72 0.86 -0.48 -0.72 2.07 -1.30 -0.12 116.25 117.27 2wpm h VAL 235 Ca 0.00 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 2wpm h VAL 235 Cb 0.40 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2wpm h VAL 235 CO 0.00 0.10 -0.13 0.78 0.02 0.00 0.00 177.57 178.35 2wpm h ASN 236 N 0.58 0.91 -0.66 0.57 4.21 -1.84 -2.59 115.58 116.75 2wpm h ASN 236 Ca 0.33 -0.29 -0.08 0.00 1.21 0.00 0.00 56.30 57.47 2wpm h ASN 236 Cb 0.33 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.26 2wpm h ASN 236 CO -0.26 1.04 0.11 -0.25 -1.29 0.00 0.00 177.43 176.78 2wpm h TRP 237 N 0.81 1.16 0.48 1.19 7.01 -1.70 -2.22 115.95 122.69 2wpm h TRP 237 Ca 0.13 -0.16 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2wpm h TRP 237 Cb 0.66 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 27.40 2wpm h TRP 237 CO 0.04 0.98 -0.23 0.82 -2.79 0.00 0.00 178.44 177.26 2wpm h ILE 238 N 1.02 0.52 -0.91 2.65 2.04 -0.91 -2.65 117.51 119.27 2wpm h ILE 238 Ca 0.20 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.97 2wpm h ILE 238 Cb 0.43 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.05 2wpm h ILE 238 CO 0.01 0.03 0.60 0.11 0.00 0.00 0.00 178.15 178.89 2wpm h LYS 239 N -0.72 1.06 -0.44 2.37 1.57 -1.47 -1.58 116.57 117.36 2wpm h LYS 239 Ca -0.07 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.57 2wpm h LYS 239 Cb 0.53 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 2wpm h LYS 239 CO 0.11 0.70 -0.05 1.49 -0.57 0.00 0.00 179.45 181.13 2wpm h GLU 240 N 1.09 0.75 0.00 3.15 4.81 -1.36 -3.26 114.58 119.76 2wpm h GLU 240 Ca 0.38 -0.22 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 2wpm h GLU 240 Cb 0.11 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2wpm h GLU 240 CO -0.13 0.79 -1.15 0.87 -0.73 0.00 0.00 179.01 178.67 2wpm h LYS 241 N 0.69 0.00 -0.63 1.92 1.79 -1.09 -3.37 116.57 115.89 2wpm h LYS 241 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 2wpm h LYS 241 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2wpm h LYS 241 CO 0.03 0.28 0.00 0.25 -1.08 0.00 0.00 179.45 178.93 2wpm n THR 242 N -2.93 2.29 -1.77 -0.16 -2.24 -0.63 -5.00 114.28 103.84 2wpm n THR 242 Ca -0.06 -1.29 -0.41 0.00 -2.27 0.00 0.00 64.05 60.02 2wpm n THR 242 Cb 0.77 -0.08 -0.01 0.00 -2.10 0.00 0.00 70.33 68.91 2wpm n THR 242 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wpm s LYS 243 N -2.30 4.10 -0.00 -0.78 1.02 -1.23 -4.93 119.74 115.62 2wpm s LYS 243 Ca 0.53 2.60 -0.20 0.00 0.02 0.00 0.00 55.97 58.92 2wpm s LYS 243 Cb 0.37 -3.00 -0.05 0.00 -0.52 0.00 0.00 37.83 34.63 2wpm s LYS 243 CO 0.21 -0.62 0.58 -0.51 -0.92 0.00 0.00 175.35 174.09 2wpm s LEU 244 N -1.04 4.42 0.00 3.17 1.43 -1.26 -5.15 118.68 120.26 2wpm s LEU 244 Ca 0.60 1.15 0.06 0.00 -1.03 0.00 0.00 54.13 54.91 2wpm s LEU 244 Cb -0.48 -2.90 0.05 0.00 0.03 0.00 0.00 46.19 42.89 2wpm s LEU 244 CO 0.53 0.12 0.69 1.07 0.23 0.00 0.00 176.35 178.99