#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pch s ILE 2 N 0.00 4.94 -0.07 4.25 -1.09 -1.26 -5.04 121.20 122.93 3pch s ILE 2 Ca 0.00 1.77 0.05 0.00 -2.23 0.00 0.00 60.65 60.25 3pch s ILE 2 Cb 0.00 -4.19 -0.01 0.00 -1.58 0.00 0.00 42.46 36.68 3pch s ILE 2 CO 0.00 0.17 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.04 3pch s GLU 3 N 1.10 2.64 0.45 2.79 0.41 -1.26 -5.13 118.70 119.70 3pch s GLU 3 Ca 0.45 -0.87 -0.01 0.00 -0.41 0.00 0.00 54.97 54.13 3pch s GLU 3 Cb -0.19 -2.22 0.09 0.00 -1.78 0.00 0.00 34.13 30.03 3pch s GLU 3 CO 0.22 0.38 0.61 1.28 -0.49 0.00 0.00 175.26 177.26 3pch n LEU 4 N 2.98 0.00 -4.77 1.80 4.32 -1.26 -5.04 117.00 115.02 3pch n LEU 4 Ca -0.18 -1.25 -0.39 0.00 -0.02 0.00 0.00 56.01 54.18 3pch n LEU 4 Cb 0.52 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.90 3pch n LEU 4 CO 0.26 -0.81 0.85 -0.76 -1.22 0.00 0.00 177.39 175.71 3pch s LEU 5 N 0.00 4.23 0.25 2.23 1.43 -1.26 -4.97 118.68 120.59 3pch s LEU 5 Ca 0.40 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.58 3pch s LEU 5 Cb -0.02 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.14 3pch s LEU 5 CO 0.27 -0.64 1.11 -2.16 0.23 0.00 0.00 176.35 175.16 3pch s PRO 6 N -2.21 4.61 0.66 1.29 0.05 -1.26 -5.00 135.00 133.14 3pch s PRO 6 Ca 0.56 1.80 -0.17 0.00 0.05 0.00 0.00 61.00 63.24 3pch s PRO 6 Cb -0.31 -3.21 -0.00 0.00 0.05 0.00 0.00 34.50 31.03 3pch s PRO 6 CO 0.40 0.15 1.19 -2.00 0.05 0.00 0.00 177.00 176.79 3pch s GLU 7 N -1.13 2.63 0.16 4.56 2.12 -1.26 -4.92 118.70 120.86 3pch s GLU 7 Ca 0.46 1.73 -0.31 0.00 0.36 0.00 0.00 54.97 57.21 3pch s GLU 7 Cb -0.32 -1.90 -0.09 0.00 0.26 0.00 0.00 34.13 32.08 3pch s GLU 7 CO 0.40 -1.45 1.49 0.99 -0.54 0.00 0.00 175.26 176.14 3pch s THR 8 N -1.87 2.86 0.33 -1.70 2.01 -1.26 -4.94 115.64 111.07 3pch s THR 8 Ca 0.74 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 63.09 3pch s THR 8 Cb -0.28 -3.40 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 3pch s THR 8 CO 0.39 0.06 1.42 -2.84 -0.69 0.00 0.00 174.62 172.96 3pch s PRO 9 N 0.95 4.23 0.58 4.92 0.02 -1.26 -5.00 135.00 139.44 3pch s PRO 9 Ca 0.67 2.39 -0.17 0.00 0.02 0.00 0.00 61.00 63.90 3pch s PRO 9 Cb -0.41 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.03 3pch s PRO 9 CO 0.32 -0.40 1.09 0.45 -0.33 0.00 0.00 177.00 178.14 3pch s SER 10 N -0.10 5.66 0.04 2.53 0.15 -1.26 -5.06 113.70 115.65 3pch s SER 10 Ca 0.54 1.99 0.01 0.00 0.70 0.00 0.00 55.95 59.20 3pch s SER 10 Cb -0.43 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.30 3pch s SER 10 CO 0.54 -1.26 -0.06 -1.10 1.20 0.00 0.00 173.24 172.56 3pch s GLN 11 N -3.71 0.47 0.50 5.44 -1.52 -1.21 -4.89 119.66 114.73 3pch s GLN 11 Ca 0.68 -0.73 -0.23 0.00 -1.95 0.00 0.00 55.36 53.13 3pch s GLN 11 Cb -0.20 -0.16 -0.07 0.00 -0.22 0.00 0.00 33.01 32.37 3pch s GLN 11 CO 0.33 0.01 1.27 -2.37 -0.25 0.00 0.00 175.29 174.28 3pch n THR 12 N 1.46 3.23 -0.04 -0.19 5.66 -1.19 -4.81 114.28 118.39 3pch n THR 12 Ca -0.23 -0.50 -0.02 0.00 -3.05 0.00 0.00 64.05 60.25 3pch n THR 12 Cb 0.55 -1.56 0.23 0.00 -1.55 0.00 0.00 70.33 68.00 3pch n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pch h ALA 13 N 1.61 1.23 0.00 1.79 0.00 -1.74 -3.49 119.26 118.66 3pch h ALA 13 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3pch h ALA 13 Cb 1.31 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3pch h ALA 13 CO 0.57 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.74 3pch n GLY 14 N -0.73 -0.74 0.26 0.00 0.00 -1.26 -4.25 105.19 98.47 3pch n GLY 14 Ca 0.02 -1.67 0.14 0.00 0.00 0.00 0.00 46.02 44.51 3pch n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pch h PRO 15 N 0.00 0.00 -0.61 1.61 0.13 -1.93 -3.13 132.00 128.07 3pch h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pch h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pch h PRO 15 CO 0.00 0.11 0.00 0.66 -0.23 0.00 0.00 178.00 178.54 3pch n TYR 16 N -3.32 1.94 -0.31 1.56 4.01 -1.26 -4.52 117.16 115.27 3pch n TYR 16 Ca -0.00 -0.68 0.23 0.00 -0.16 0.00 0.00 57.90 57.28 3pch n TYR 16 Cb 0.32 -0.47 0.53 0.00 -0.31 0.00 0.00 39.34 39.41 3pch n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pch h VAL 17 N 3.86 0.54 -0.71 -0.72 3.04 -1.72 -0.72 116.25 119.82 3pch h VAL 17 Ca 0.00 -0.13 0.16 0.00 -1.01 0.00 0.00 66.70 65.72 3pch h VAL 17 Cb 1.87 0.15 -0.04 0.00 -2.01 0.00 0.00 31.29 31.25 3pch h VAL 17 CO 0.45 0.07 0.48 0.45 -1.01 0.00 0.00 177.57 178.01 3pch h HIS 18 N 0.36 0.35 -0.48 3.17 3.86 -1.85 -0.70 115.15 119.86 3pch h HIS 18 Ca 0.57 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.77 3pch h HIS 18 Cb 1.50 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.84 3pch h HIS 18 CO -0.00 0.13 0.23 -0.84 0.86 0.00 0.00 177.93 178.31 3pch h ILE 19 N 0.30 1.16 0.06 2.45 3.07 -1.35 0.23 117.51 123.43 3pch h ILE 19 Ca 0.35 -0.46 -0.34 0.00 1.55 0.00 0.00 64.86 65.97 3pch h ILE 19 Cb 0.94 0.55 -0.04 0.00 -0.27 0.00 0.00 36.82 38.01 3pch h ILE 19 CO -0.09 0.19 -1.92 0.61 -1.05 0.00 0.00 178.15 175.89 3pch n GLY 20 N -1.23 -0.75 0.00 0.16 0.00 -0.38 -4.58 105.19 98.41 3pch n GLY 20 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3pch n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pch n LEU 21 N -3.26 1.15 -2.80 0.99 4.77 -0.56 -4.83 117.00 112.46 3pch n LEU 21 Ca -0.27 -1.15 -0.10 0.00 -0.03 0.00 0.00 56.01 54.46 3pch n LEU 21 Cb 1.05 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.20 3pch n LEU 21 CO 0.43 0.29 0.22 0.00 -1.33 0.00 0.00 177.39 177.00 3pch n ALA 22 N -0.10 -0.53 -0.17 -1.18 0.00 0.74 -4.96 120.51 114.31 3pch n ALA 22 Ca 0.00 -1.73 -0.08 0.00 0.00 0.00 0.00 53.44 51.63 3pch n ALA 22 Cb 0.07 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.32 3pch n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pch h LEU 23 N 3.30 -1.38 -0.56 0.00 4.07 -1.65 -0.91 115.31 118.18 3pch h LEU 23 Ca -0.09 0.23 0.11 0.00 0.08 0.00 0.00 57.88 58.22 3pch h LEU 23 Cb 1.06 0.63 -0.09 0.00 1.08 0.00 0.00 40.66 43.33 3pch h LEU 23 CO 0.23 -0.34 0.01 -0.08 -1.08 0.00 0.00 178.44 177.18 3pch h GLU 24 N -0.26 0.12 -0.78 1.13 4.81 -1.87 -1.19 114.58 116.55 3pch h GLU 24 Ca 0.17 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3pch h GLU 24 Cb 0.57 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 3pch h GLU 24 CO -0.63 0.08 0.40 0.00 -0.73 0.00 0.00 179.01 178.13 3pch h ALA 25 N 1.50 1.23 0.00 2.92 0.00 -1.57 0.25 119.26 123.59 3pch h ALA 25 Ca 0.29 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3pch h ALA 25 Cb 0.45 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3pch h ALA 25 CO -0.47 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3pch n ALA 26 N -2.43 1.60 -3.02 0.00 0.00 -0.46 -4.83 120.51 111.37 3pch n ALA 26 Ca 0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3pch n ALA 26 Cb 0.12 -1.20 0.04 0.00 0.00 0.00 0.00 19.45 18.41 3pch n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pch n GLY 27 N -0.20 0.11 3.34 0.00 0.00 0.86 -4.99 105.19 104.32 3pch n GLY 27 Ca 0.03 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 3pch n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pch s ASN 28 N -3.31 2.81 0.28 1.61 0.01 -0.72 -5.03 114.94 110.60 3pch s ASN 28 Ca 0.24 -0.83 -0.30 0.00 -0.71 0.00 0.00 52.86 51.26 3pch s ASN 28 Cb -0.11 -0.17 -0.13 0.00 0.41 0.00 0.00 41.25 41.25 3pch s ASN 28 CO 0.39 0.01 1.38 -0.81 -1.51 0.00 0.00 177.10 176.57 3pch n PRO 29 N 0.42 2.13 -2.80 -0.60 -0.04 -1.26 -3.70 135.00 129.14 3pch n PRO 29 Ca -0.14 0.75 -0.20 0.00 -0.04 0.00 0.00 63.50 63.87 3pch n PRO 29 Cb 0.56 -2.39 0.05 0.00 -0.04 0.00 0.00 33.50 31.68 3pch n PRO 29 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3pch s THR 30 N -0.44 2.51 0.52 0.52 -4.23 -1.26 -4.83 115.64 108.42 3pch s THR 30 Ca 0.63 -0.80 0.05 0.00 -1.18 0.00 0.00 61.69 60.38 3pch s THR 30 Cb -0.61 -2.70 0.09 0.00 1.34 0.00 0.00 72.50 70.63 3pch s THR 30 CO 0.54 0.00 0.71 0.54 -0.54 0.00 0.00 174.62 175.87 3pch n ARG 31 N -2.32 0.43 0.06 3.99 1.74 -1.26 -5.01 116.66 114.29 3pch n ARG 31 Ca 0.11 -2.40 -0.12 0.00 -0.77 0.00 0.00 57.85 54.67 3pch n ARG 31 Cb 0.60 -0.33 -0.05 0.00 -1.02 0.00 0.00 32.46 31.66 3pch n ARG 31 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3pch h ASP 32 N -0.14 -0.93 -3.31 0.55 3.32 -2.07 -3.40 116.42 110.44 3pch h ASP 32 Ca -0.24 0.12 -0.66 0.00 0.02 0.00 0.00 57.03 56.27 3pch h ASP 32 Cb 1.00 0.37 -0.28 0.00 0.22 0.00 0.00 39.33 40.64 3pch h ASP 32 CO 0.30 -0.38 -0.78 -1.10 -1.72 0.00 0.00 179.24 175.56 3pch s GLN 33 N -6.01 3.32 0.06 3.56 -0.21 -1.26 -5.11 119.66 114.01 3pch s GLN 33 Ca -0.16 -0.71 0.05 0.00 0.02 0.00 0.00 55.36 54.56 3pch s GLN 33 Cb 0.09 -2.63 -0.03 0.00 1.00 0.00 0.00 33.01 31.44 3pch s GLN 33 CO 0.65 0.13 -0.14 -1.21 -2.12 0.00 0.00 175.29 172.60 3pch s GLU 34 N 0.55 0.86 -0.40 2.91 0.41 -1.26 -5.12 118.70 116.65 3pch s GLU 34 Ca -0.09 -0.91 -0.16 0.00 -0.41 0.00 0.00 54.97 53.40 3pch s GLU 34 Cb -0.16 -0.88 0.02 0.00 -1.78 0.00 0.00 34.13 31.33 3pch s GLU 34 CO 0.04 0.20 0.35 0.42 -0.49 0.00 0.00 175.26 175.78 3pch s ILE 35 N -1.15 5.19 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.32 3pch s ILE 35 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.18 3pch s ILE 35 Cb -0.09 -3.95 0.00 0.00 0.01 0.00 0.00 42.46 38.43 3pch s ILE 35 CO 0.02 -0.32 0.00 1.87 0.00 0.00 0.00 174.94 176.51 3pch n TRP 36 N 5.33 0.00 0.20 3.97 -0.00 -1.26 -4.45 117.44 121.23 3pch n TRP 36 Ca -0.10 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.46 3pch n TRP 36 Cb 0.47 0.00 0.22 0.00 -0.00 0.00 0.00 31.31 32.01 3pch n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pch n ASN 37 N 0.00 3.16 -4.16 5.87 6.94 -0.12 -0.77 115.26 126.19 3pch n ASN 37 Ca 0.00 -2.29 -0.39 0.00 -0.02 0.00 0.00 54.58 51.87 3pch n ASN 37 Cb 0.00 -0.46 -0.07 0.00 -2.36 0.00 0.00 39.78 36.89 3pch n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pch s ARG 38 N -1.75 3.01 0.29 -3.83 3.52 -1.26 -0.32 118.95 118.61 3pch s ARG 38 Ca 0.31 -2.70 0.12 0.00 -0.13 0.00 0.00 55.73 53.33 3pch s ARG 38 Cb 0.21 -3.97 0.42 0.00 -1.56 0.00 0.00 34.95 30.05 3pch s ARG 38 CO 0.15 -1.22 1.64 -0.07 -0.81 0.00 0.00 175.30 174.99 3pch h LEU 39 N 6.97 0.00 -8.52 -0.88 4.07 0.08 -3.46 115.31 113.57 3pch h LEU 39 Ca 0.06 0.00 -0.62 0.00 0.08 0.00 0.00 57.88 57.40 3pch h LEU 39 Cb 0.94 0.00 -0.28 0.00 1.08 0.00 0.00 40.66 42.40 3pch h LEU 39 CO 0.76 0.57 -0.86 0.00 -1.08 0.00 0.00 178.44 177.83 3pch s ALA 40 N -3.65 1.84 0.24 1.53 0.00 -1.18 0.08 121.76 120.63 3pch s ALA 40 Ca -0.01 -1.01 -0.15 0.00 0.00 0.00 0.00 51.96 50.79 3pch s ALA 40 Cb 0.13 -0.43 -0.08 0.00 0.00 0.00 0.00 23.12 22.74 3pch s ALA 40 CO 0.75 0.44 0.66 0.15 0.00 0.00 0.00 175.76 177.76 3pch s LYS 41 N -0.79 4.03 0.36 0.00 1.02 0.41 -4.84 119.74 119.94 3pch s LYS 41 Ca 0.08 0.62 0.17 0.00 0.02 0.00 0.00 55.97 56.86 3pch s LYS 41 Cb -0.09 -2.70 1.12 0.00 -0.52 0.00 0.00 37.83 35.64 3pch s LYS 41 CO 0.00 0.32 1.68 -1.35 -0.92 0.00 0.00 175.35 175.08 3pch h PRO 42 N 2.91 0.31 -0.56 -1.68 0.11 -2.00 0.62 132.00 131.73 3pch h PRO 42 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3pch h PRO 42 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3pch h PRO 42 CO 0.66 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.26 3pch n ASP 43 N -4.92 0.95 -4.78 -2.05 5.75 -1.26 -4.82 116.55 105.41 3pch n ASP 43 Ca 0.31 -2.05 -0.39 0.00 -0.01 0.00 0.00 54.79 52.66 3pch n ASP 43 Cb 1.01 -0.30 -0.06 0.00 -1.03 0.00 0.00 41.12 40.74 3pch n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pch s ALA 44 N -1.50 3.54 0.92 2.12 0.00 0.22 -5.05 121.76 122.01 3pch s ALA 44 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 3pch s ALA 44 Cb 0.03 -2.67 0.13 0.00 0.00 0.00 0.00 23.12 20.61 3pch s ALA 44 CO 0.02 0.25 1.03 -0.35 0.00 0.00 0.00 175.76 176.72 3pch n PRO 45 N 2.41 -0.41 0.00 0.00 -0.04 -1.26 -4.89 135.00 130.80 3pch n PRO 45 Ca -0.09 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 3pch n PRO 45 Cb 0.51 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 3pch n PRO 45 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3pch n GLY 46 N 0.48 1.09 3.48 0.55 0.00 -1.26 -4.69 105.19 104.83 3pch n GLY 46 Ca 0.11 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3pch n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pch s GLU 47 N -1.52 3.21 0.21 1.61 2.12 -1.26 -4.96 118.70 118.10 3pch s GLU 47 Ca 0.00 -0.62 -0.30 0.00 0.36 0.00 0.00 54.97 54.40 3pch s GLU 47 Cb 0.00 -4.12 -0.10 0.00 0.26 0.00 0.00 34.13 30.18 3pch s GLU 47 CO 0.00 -1.49 1.44 -1.01 -0.54 0.00 0.00 175.26 173.66 3pch s HIS 48 N 3.54 3.09 0.14 5.30 3.76 -1.26 -1.56 115.29 128.30 3pch s HIS 48 Ca 0.23 0.97 -0.01 0.00 -0.15 0.00 0.00 55.06 56.11 3pch s HIS 48 Cb -0.16 -3.79 -0.04 0.00 1.11 0.00 0.00 32.58 29.70 3pch s HIS 48 CO 0.14 -2.66 0.05 0.96 -0.85 0.00 0.00 174.74 172.39 3pch s ILE 49 N 0.35 0.20 -0.15 0.60 -4.36 0.04 -4.64 121.20 113.25 3pch s ILE 49 Ca 0.61 -1.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 3pch s ILE 49 Cb -0.41 -2.09 0.00 0.00 1.25 0.00 0.00 42.46 41.21 3pch s ILE 49 CO 0.39 -0.43 -0.16 -0.22 0.24 0.00 0.00 174.94 174.75 3pch s LEU 50 N -3.08 2.41 -0.04 0.37 2.96 0.10 -2.54 118.68 118.86 3pch s LEU 50 Ca 0.25 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 3pch s LEU 50 Cb 0.07 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 45.19 3pch s LEU 50 CO 0.03 0.09 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.27 3pch s LEU 51 N 0.81 2.90 0.07 -0.68 1.43 -0.47 -0.01 118.68 122.73 3pch s LEU 51 Ca -0.06 -0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.68 3pch s LEU 51 Cb -0.15 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.50 3pch s LEU 51 CO -0.00 0.34 0.50 -1.48 0.23 0.00 0.00 176.35 175.93 3pch s LEU 52 N -0.87 0.01 -0.08 1.79 -0.00 -0.91 -0.85 118.68 117.76 3pch s LEU 52 Ca 0.13 0.07 -0.31 0.00 -0.00 0.00 0.00 54.13 54.01 3pch s LEU 52 Cb -0.11 2.08 0.12 0.00 -0.00 0.00 0.00 46.19 48.29 3pch s LEU 52 CO 0.02 -0.75 1.39 -0.83 -0.00 0.00 0.00 176.35 176.17 3pch s GLY 53 N -2.17 -0.35 0.28 -3.48 0.00 -1.12 0.19 107.32 100.68 3pch s GLY 53 Ca -0.04 0.55 0.07 0.00 0.00 0.00 0.00 44.72 45.30 3pch s GLY 53 CO -0.04 3.18 -0.06 1.20 0.00 0.00 0.00 173.10 177.38 3pch s GLN 54 N -2.05 1.56 -0.06 2.90 -0.21 -1.25 -1.65 119.66 118.89 3pch s GLN 54 Ca 0.23 -1.79 0.05 0.00 0.02 0.00 0.00 55.36 53.87 3pch s GLN 54 Cb 0.04 -1.16 -0.01 0.00 1.00 0.00 0.00 33.01 32.88 3pch s GLN 54 CO -0.04 0.04 -0.24 0.08 -2.12 0.00 0.00 175.29 173.00 3pch s VAL 55 N -3.01 1.97 0.11 1.09 1.01 -1.26 -0.72 120.40 119.59 3pch s VAL 55 Ca 0.30 -1.01 0.10 0.00 0.00 0.00 0.00 61.98 61.36 3pch s VAL 55 Cb 0.04 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3pch s VAL 55 CO 0.12 0.55 -0.25 -0.31 0.00 0.00 0.00 175.10 175.21 3pch s TYR 56 N -0.04 2.17 0.65 5.22 2.02 0.26 -0.47 117.35 127.15 3pch s TYR 56 Ca -0.06 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.31 3pch s TYR 56 Cb -0.14 -1.20 0.12 0.00 -0.40 0.00 0.00 41.96 40.33 3pch s TYR 56 CO 0.04 0.27 0.89 -0.40 -1.57 0.00 0.00 175.55 174.79 3pch n ASP 57 N 1.12 1.88 0.31 2.29 5.68 -0.29 -1.79 116.55 125.75 3pch n ASP 57 Ca -0.18 -2.43 0.19 0.00 -0.50 0.00 0.00 54.79 51.87 3pch n ASP 57 Cb 0.53 -0.52 1.04 0.00 -1.14 0.00 0.00 41.12 41.03 3pch n ASP 57 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3pch h GLY 58 N -0.16 0.00 1.12 6.12 0.00 -1.89 -1.18 103.07 107.09 3pch h GLY 58 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3pch h GLY 58 CO 0.38 0.00 -0.53 0.70 0.00 0.00 0.00 176.54 177.10 3pch n ASN 59 N -3.49 0.54 0.00 0.19 3.02 -1.26 -4.76 115.26 109.50 3pch n ASN 59 Ca -0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3pch n ASN 59 Cb 0.10 0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 3pch n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pch n GLY 60 N 1.43 0.79 3.85 7.41 0.00 -0.45 -5.06 105.19 113.17 3pch n GLY 60 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 3pch n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pch s HIS 61 N -2.04 3.59 0.22 1.61 3.76 -1.26 -4.80 115.29 116.38 3pch s HIS 61 Ca 0.00 1.01 -0.30 0.00 -0.15 0.00 0.00 55.06 55.61 3pch s HIS 61 Cb 0.00 -2.33 -0.09 0.00 1.11 0.00 0.00 32.58 31.27 3pch s HIS 61 CO 0.00 0.44 1.40 -0.51 -0.85 0.00 0.00 174.74 175.22 3pch s LEU 62 N -1.99 4.39 -0.53 0.89 1.43 -1.26 -1.14 118.68 120.47 3pch s LEU 62 Ca 0.37 2.56 -0.21 0.00 -1.03 0.00 0.00 54.13 55.82 3pch s LEU 62 Cb -0.15 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.51 3pch s LEU 62 CO 0.19 -0.65 0.75 -0.69 0.23 0.00 0.00 176.35 176.18 3pch s VAL 63 N 0.16 4.69 -2.03 -1.59 1.01 0.37 -4.89 120.40 118.12 3pch s VAL 63 Ca 0.59 -0.22 0.27 0.00 0.00 0.00 0.00 61.98 62.63 3pch s VAL 63 Cb -0.40 -4.39 0.37 0.00 0.00 0.00 0.00 36.38 31.95 3pch s VAL 63 CO 0.40 -0.93 1.62 0.54 0.00 0.00 0.00 175.10 176.73 3pch n ARG 64 N 6.67 1.15 -0.42 2.72 1.74 -1.26 -4.13 116.66 123.12 3pch n ARG 64 Ca -0.04 -0.68 0.06 0.00 -0.77 0.00 0.00 57.85 56.43 3pch n ARG 64 Cb 0.46 -1.49 0.21 0.00 -1.02 0.00 0.00 32.46 30.62 3pch n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pch n ASP 65 N -0.33 2.92 -4.83 0.55 5.68 -1.26 -4.21 116.55 115.07 3pch n ASP 65 Ca 0.15 -3.28 -0.33 0.00 -0.50 0.00 0.00 54.79 50.83 3pch n ASP 65 Cb 0.35 -0.53 -0.05 0.00 -1.14 0.00 0.00 41.12 39.76 3pch n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pch s SER 66 N -2.47 6.72 -0.05 -1.12 1.04 -1.26 -4.56 113.70 112.00 3pch s SER 66 Ca 0.39 1.65 0.02 0.00 0.48 0.00 0.00 55.95 58.49 3pch s SER 66 Cb 0.34 -2.53 0.02 0.00 0.10 0.00 0.00 66.02 63.95 3pch s SER 66 CO 0.04 -0.52 -0.08 0.12 0.98 0.00 0.00 173.24 173.78 3pch s PHE 67 N -2.39 1.04 0.07 5.02 5.36 0.72 -2.78 117.98 125.02 3pch s PHE 67 Ca 0.61 -0.33 0.08 0.00 -0.96 0.00 0.00 56.93 56.33 3pch s PHE 67 Cb -0.10 -0.81 -0.03 0.00 -0.34 0.00 0.00 43.02 41.74 3pch s PHE 67 CO 0.23 -0.20 -0.23 -0.51 -1.46 0.00 0.00 175.22 173.04 3pch s LEU 68 N 0.70 2.22 -0.04 6.12 1.02 -0.05 0.11 118.68 128.75 3pch s LEU 68 Ca -0.12 -0.60 0.04 0.00 0.02 0.00 0.00 54.13 53.47 3pch s LEU 68 Cb -0.14 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.01 3pch s LEU 68 CO 0.02 0.16 -0.14 -1.61 0.02 0.00 0.00 176.35 174.79 3pch s GLU 69 N -1.47 1.56 0.08 1.70 2.02 -0.84 -1.44 118.70 120.31 3pch s GLU 69 Ca 0.09 -0.51 0.08 0.00 0.02 0.00 0.00 54.97 54.66 3pch s GLU 69 Cb -0.09 -1.36 -0.03 0.00 0.10 0.00 0.00 34.13 32.74 3pch s GLU 69 CO 0.03 0.18 -0.21 0.14 0.02 0.00 0.00 175.26 175.42 3pch s VAL 70 N 0.15 1.74 -0.04 2.63 -7.23 -0.32 -1.51 120.40 115.83 3pch s VAL 70 Ca -0.05 -1.44 -0.02 0.00 -1.81 0.00 0.00 61.98 58.67 3pch s VAL 70 Cb -0.11 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.30 3pch s VAL 70 CO 0.02 0.05 0.05 0.86 -0.31 0.00 0.00 175.10 175.77 3pch s TRP 71 N -1.02 0.10 0.11 2.82 -0.11 -0.15 -1.60 118.94 119.07 3pch s TRP 71 Ca 0.07 0.20 -0.14 0.00 1.22 0.00 0.00 56.10 57.46 3pch s TRP 71 Cb -0.10 -0.45 0.02 0.00 -1.50 0.00 0.00 33.47 31.45 3pch s TRP 71 CO 0.03 -0.18 0.33 1.14 -4.62 0.00 0.00 176.95 173.66 3pch s GLN 72 N 1.92 0.98 0.55 5.86 -2.07 0.91 -1.13 119.66 126.67 3pch s GLN 72 Ca 0.02 -0.77 -0.15 0.00 -1.82 0.00 0.00 55.36 52.64 3pch s GLN 72 Cb -0.12 0.42 -0.07 0.00 -1.09 0.00 0.00 33.01 32.15 3pch s GLN 72 CO -0.03 -0.36 1.00 0.00 -1.32 0.00 0.00 175.29 174.58 3pch s ALA 73 N -3.74 3.08 1.00 2.60 0.00 -1.26 -4.40 121.76 119.03 3pch s ALA 73 Ca 0.03 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3pch s ALA 73 Cb 0.03 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3pch s ALA 73 CO -0.11 -0.37 0.00 -0.40 0.00 0.00 0.00 175.76 174.88 3pch n ASP 74 N -1.93 -0.65 0.23 0.00 5.68 0.59 -4.19 116.55 116.28 3pch n ASP 74 Ca 0.06 -0.54 0.10 0.00 -0.50 0.00 0.00 54.79 53.92 3pch n ASP 74 Cb 0.54 0.00 0.55 0.00 -1.14 0.00 0.00 41.12 41.07 3pch n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pch h ALA 75 N -2.00 1.13 -0.15 2.12 0.00 -1.84 0.21 119.26 118.73 3pch h ALA 75 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3pch h ALA 75 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3pch h ALA 75 CO 0.00 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.60 3pch n ASN 76 N -3.52 1.05 -0.55 0.00 3.02 -1.26 -3.74 115.26 110.26 3pch n ASN 76 Ca -0.01 -1.77 -0.06 0.00 -0.03 0.00 0.00 54.58 52.72 3pch n ASN 76 Cb 0.36 -0.10 -0.02 0.00 -0.61 0.00 0.00 39.78 39.42 3pch n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pch n GLY 77 N 0.93 0.54 3.46 7.41 0.00 -1.06 -4.89 105.19 111.58 3pch n GLY 77 Ca 0.12 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3pch n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pch s GLU 78 N -3.25 2.75 -0.37 1.61 2.02 -1.26 -4.65 118.70 115.55 3pch s GLU 78 Ca 0.00 -0.68 -0.23 0.00 0.02 0.00 0.00 54.97 54.08 3pch s GLU 78 Cb 0.00 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.78 3pch s GLU 78 CO 0.00 0.52 0.75 0.71 0.02 0.00 0.00 175.26 177.26 3pch s TYR 79 N -0.45 3.12 -0.67 1.61 2.02 -1.26 -0.30 117.35 121.41 3pch s TYR 79 Ca 0.06 0.49 -0.21 0.00 -0.37 0.00 0.00 57.07 57.04 3pch s TYR 79 Cb -0.12 -3.35 0.09 0.00 -0.40 0.00 0.00 41.96 38.18 3pch s TYR 79 CO 0.02 -0.72 0.89 -0.65 -1.57 0.00 0.00 175.55 173.52 3pch s GLN 80 N 3.02 3.16 0.14 -0.62 -1.52 -1.26 -4.85 119.66 117.73 3pch s GLN 80 Ca 0.30 -1.17 0.16 0.00 -1.95 0.00 0.00 55.36 52.70 3pch s GLN 80 Cb -0.13 -4.34 -0.06 0.00 -0.22 0.00 0.00 33.01 28.26 3pch s GLN 80 CO 0.17 -1.70 1.06 0.38 -0.25 0.00 0.00 175.29 174.94 3pch h ASP 81 N 9.30 0.00 -1.16 5.90 2.03 -1.97 -3.18 116.42 127.33 3pch h ASP 81 Ca -0.23 0.00 -0.51 0.00 -0.73 0.00 0.00 57.03 55.57 3pch h ASP 81 Cb 1.07 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 39.49 3pch h ASP 81 CO 1.13 0.53 1.24 0.00 -1.03 0.00 0.00 179.24 181.11 3pch s ALA 82 N -2.96 2.40 -0.09 4.15 0.00 -1.26 -4.93 121.76 119.08 3pch s ALA 82 Ca -0.00 -1.90 -0.29 0.00 0.00 0.00 0.00 51.96 49.76 3pch s ALA 82 Cb 0.08 -4.50 -0.05 0.00 0.00 0.00 0.00 23.12 18.65 3pch s ALA 82 CO 0.79 -3.93 1.71 -0.47 0.00 0.00 0.00 175.76 173.86 3pch s TYR 83 N 6.63 1.88 -0.14 0.00 5.04 -1.26 -4.98 117.35 124.52 3pch s TYR 83 Ca 0.52 0.22 -0.09 0.00 -2.44 0.00 0.00 57.07 55.28 3pch s TYR 83 Cb -0.03 -3.97 0.05 0.00 0.35 0.00 0.00 41.96 38.36 3pch s TYR 83 CO -0.04 -3.86 0.34 1.21 -1.34 0.00 0.00 175.55 171.87 3pch s ASN 84 N 3.93 -0.40 0.43 4.32 3.84 -1.26 -5.03 114.94 120.77 3pch s ASN 84 Ca 0.76 0.72 0.14 0.00 0.21 0.00 0.00 52.86 54.69 3pch s ASN 84 Cb -0.32 0.63 0.93 0.00 -0.55 0.00 0.00 41.25 41.94 3pch s ASN 84 CO 0.31 -0.17 1.95 -0.07 -2.79 0.00 0.00 177.10 176.34 3pch h LEU 85 N 6.79 0.01 -1.29 3.21 3.38 -1.96 -1.53 115.31 123.92 3pch h LEU 85 Ca -0.36 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3pch h LEU 85 Cb 1.18 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 3pch h LEU 85 CO 0.32 0.23 -0.15 -0.33 0.09 0.00 0.00 178.44 178.60 3pch h GLU 86 N 0.01 0.00 -7.15 1.13 5.08 -2.00 -3.45 114.58 108.20 3pch h GLU 86 Ca 0.00 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 57.82 3pch h GLU 86 Cb 0.39 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.82 3pch h GLU 86 CO 0.03 0.15 0.36 0.09 -1.00 0.00 0.00 179.01 178.64 3pch n ASN 87 N -3.33 1.26 0.07 1.42 3.02 -0.58 -4.90 115.26 112.22 3pch n ASN 87 Ca 0.00 0.66 -0.04 0.00 -0.03 0.00 0.00 54.58 55.17 3pch n ASN 87 Cb 0.38 -1.51 -0.08 0.00 -0.61 0.00 0.00 39.78 37.96 3pch n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pch h ALA 88 N -0.45 0.53 -3.65 5.41 0.00 -1.87 -3.44 119.26 115.79 3pch h ALA 88 Ca -0.48 -0.84 -0.29 0.00 0.00 0.00 0.00 54.91 53.30 3pch h ALA 88 Cb 1.31 -0.01 -0.31 0.00 0.00 0.00 0.00 17.79 18.78 3pch h ALA 88 CO 0.48 1.08 -0.73 0.12 0.00 0.00 0.00 179.25 180.19 3pch s PHE 89 N -2.79 0.15 -0.06 0.00 5.36 -1.26 0.16 117.98 119.54 3pch s PHE 89 Ca 0.01 0.02 0.04 0.00 -0.96 0.00 0.00 56.93 56.04 3pch s PHE 89 Cb 0.09 -0.20 -0.00 0.00 -0.34 0.00 0.00 43.02 42.57 3pch s PHE 89 CO 0.80 -0.05 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.52 3pch s ASN 90 N 0.48 2.37 0.46 6.13 0.01 0.11 -4.94 114.94 119.56 3pch s ASN 90 Ca -0.04 -0.40 0.27 0.00 -0.71 0.00 0.00 52.86 51.98 3pch s ASN 90 Cb -0.07 -0.78 0.73 0.00 0.41 0.00 0.00 41.25 41.54 3pch s ASN 90 CO -0.01 0.15 1.75 0.28 -1.51 0.00 0.00 177.10 177.75 3pch h SER 91 N 6.39 0.00 -4.07 -1.22 0.02 -1.76 -3.43 113.55 109.49 3pch h SER 91 Ca -0.30 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.96 3pch h SER 91 Cb 1.19 0.00 -0.24 0.00 0.14 0.00 0.00 62.40 63.49 3pch h SER 91 CO 0.47 0.00 -0.78 0.12 -1.14 0.00 0.00 176.83 175.50 3pch s PHE 92 N -3.36 2.66 0.25 3.45 5.36 -1.26 -0.06 117.98 125.02 3pch s PHE 92 Ca 0.05 -0.19 -0.13 0.00 -0.96 0.00 0.00 56.93 55.70 3pch s PHE 92 Cb 0.07 -1.60 -0.00 0.00 -0.34 0.00 0.00 43.02 41.15 3pch s PHE 92 CO 0.61 0.18 0.49 0.20 -1.46 0.00 0.00 175.22 175.25 3pch s GLY 93 N -0.81 0.50 0.01 13.12 0.00 -0.63 -4.86 107.32 114.66 3pch s GLY 93 Ca 0.12 -0.85 0.02 0.00 0.00 0.00 0.00 44.72 44.01 3pch s GLY 93 CO 0.01 -0.59 -0.07 0.50 0.00 0.00 0.00 173.10 172.95 3pch s ARG 94 N -4.00 0.51 0.20 2.90 0.52 0.05 -1.17 118.95 117.97 3pch s ARG 94 Ca 0.22 -0.41 -0.11 0.00 -0.52 0.00 0.00 55.73 54.91 3pch s ARG 94 Cb -0.01 -0.43 -0.00 0.00 0.52 0.00 0.00 34.95 35.02 3pch s ARG 94 CO 0.09 0.11 0.38 -0.08 0.02 0.00 0.00 175.30 175.82 3pch s THR 95 N -0.55 0.03 0.11 0.02 -1.32 -0.52 -0.95 115.64 112.46 3pch s THR 95 Ca -0.01 -1.32 -0.13 0.00 -1.21 0.00 0.00 61.69 59.01 3pch s THR 95 Cb -0.05 -1.95 0.02 0.00 -1.51 0.00 0.00 72.50 69.01 3pch s THR 95 CO 0.00 -0.15 0.31 0.00 -2.21 0.00 0.00 174.62 172.57 3pch s ALA 96 N -3.98 -0.62 0.06 11.08 0.00 -1.26 -0.87 121.76 126.17 3pch s ALA 96 Ca 0.19 -0.29 -0.17 0.00 0.00 0.00 0.00 51.96 51.68 3pch s ALA 96 Cb 0.01 0.60 -0.06 0.00 0.00 0.00 0.00 23.12 23.67 3pch s ALA 96 CO 0.03 -0.58 0.52 0.95 0.00 0.00 0.00 175.76 176.68 3pch s THR 97 N -3.80 4.83 0.49 0.00 -4.23 -1.12 -4.19 115.64 107.63 3pch s THR 97 Ca 0.04 1.07 -0.24 0.00 -1.18 0.00 0.00 61.69 61.38 3pch s THR 97 Cb 0.03 -3.83 -0.07 0.00 1.34 0.00 0.00 72.50 69.98 3pch s THR 97 CO -0.11 0.53 1.38 0.42 -0.54 0.00 0.00 174.62 176.29 3pch s THR 98 N -1.14 2.16 -0.22 3.99 -4.23 -1.07 -4.65 115.64 110.48 3pch s THR 98 Ca 0.28 0.13 0.28 0.00 -1.18 0.00 0.00 61.69 61.20 3pch s THR 98 Cb -0.18 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 70.94 3pch s THR 98 CO 0.17 0.01 1.79 -0.26 -0.54 0.00 0.00 174.62 175.79 3pch h PHE 99 N 1.97 0.00 0.00 3.99 0.04 -1.95 -0.90 116.94 120.10 3pch h PHE 99 Ca -0.51 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.26 3pch h PHE 99 Cb 1.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.43 3pch h PHE 99 CO 0.49 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.80 3pch n ASP 100 N -3.03 0.00 -0.35 2.17 5.75 -1.26 -4.66 116.55 115.17 3pch n ASP 100 Ca 0.02 0.00 0.09 0.00 -0.01 0.00 0.00 54.79 54.90 3pch n ASP 100 Cb 0.42 0.00 0.26 0.00 -1.03 0.00 0.00 41.12 40.77 3pch n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pch h ALA 101 N -2.00 1.52 -0.69 2.12 0.00 -1.99 -3.46 119.26 114.76 3pch h ALA 101 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3pch h ALA 101 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3pch h ALA 101 CO 0.00 0.07 -0.07 0.41 0.00 0.00 0.00 179.25 179.66 3pch n GLY 102 N -1.34 0.40 3.31 0.00 0.00 -0.34 -4.93 105.19 102.30 3pch n GLY 102 Ca 0.20 -0.72 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 3pch n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pch s GLU 103 N -4.41 1.82 0.19 1.61 2.12 -1.26 -4.45 118.70 114.32 3pch s GLU 103 Ca 0.02 -1.01 0.06 0.00 0.36 0.00 0.00 54.97 54.40 3pch s GLU 103 Cb -0.01 -1.90 -0.04 0.00 0.26 0.00 0.00 34.13 32.44 3pch s GLU 103 CO 0.02 0.50 0.11 1.67 -0.54 0.00 0.00 175.26 177.02 3pch s TRP 104 N -0.73 3.05 0.03 5.30 1.48 -0.66 -2.61 118.94 124.80 3pch s TRP 104 Ca 0.10 -0.07 -0.02 0.00 -1.06 0.00 0.00 56.10 55.05 3pch s TRP 104 Cb -0.10 -1.44 -0.02 0.00 -1.16 0.00 0.00 33.47 30.75 3pch s TRP 104 CO 0.01 0.53 0.02 0.95 -4.06 0.00 0.00 176.95 174.39 3pch s THR 105 N -1.85 0.14 -0.12 0.66 -4.23 -1.26 -2.79 115.64 106.19 3pch s THR 105 Ca 0.31 -1.13 -0.12 0.00 -1.18 0.00 0.00 61.69 59.57 3pch s THR 105 Cb -0.09 -0.70 0.03 0.00 1.34 0.00 0.00 72.50 73.08 3pch s THR 105 CO 0.22 -0.62 0.34 -0.22 -0.54 0.00 0.00 174.62 173.80 3pch s LEU 106 N -1.93 0.71 -0.29 4.79 2.96 -0.03 -4.82 118.68 120.07 3pch s LEU 106 Ca -0.08 0.64 -0.04 0.00 -0.22 0.00 0.00 54.13 54.42 3pch s LEU 106 Cb -0.04 1.18 0.03 0.00 0.50 0.00 0.00 46.19 47.86 3pch s LEU 106 CO -0.04 -0.15 0.03 -1.00 -1.32 0.00 0.00 176.35 173.87 3pch s HIS 107 N 0.05 3.18 0.00 5.38 3.76 0.56 -1.37 115.29 126.85 3pch s HIS 107 Ca -0.01 -1.48 0.00 0.00 -0.15 0.00 0.00 55.06 53.42 3pch s HIS 107 Cb -0.03 -2.17 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3pch s HIS 107 CO 0.01 -0.71 0.00 -2.37 -0.85 0.00 0.00 174.74 170.81 3pch n THR 108 N 4.73 0.00 -4.25 1.30 5.66 -1.05 0.78 114.28 121.45 3pch n THR 108 Ca -0.14 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.67 3pch n THR 108 Cb 0.46 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.12 3pch n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pch s VAL 109 N -2.24 1.38 0.06 1.08 -7.23 -1.26 -0.78 120.40 111.41 3pch s VAL 109 Ca 0.00 -1.70 -0.31 0.00 -1.81 0.00 0.00 61.98 58.16 3pch s VAL 109 Cb 0.00 -1.53 -0.08 0.00 0.56 0.00 0.00 36.38 35.33 3pch s VAL 109 CO 0.00 -0.38 1.58 -0.75 -0.31 0.00 0.00 175.10 175.24 3pch s LYS 110 N -2.59 4.22 0.56 4.82 2.20 -0.60 -4.89 119.74 123.46 3pch s LYS 110 Ca 0.09 2.24 -0.19 0.00 -0.36 0.00 0.00 55.97 57.75 3pch s LYS 110 Cb -0.05 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.67 3pch s LYS 110 CO 0.03 -0.68 1.15 -1.25 -0.36 0.00 0.00 175.35 174.24 3pch s PRO 111 N 2.40 3.24 0.70 4.03 0.04 -1.26 -4.15 135.00 139.99 3pch s PRO 111 Ca 0.71 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 3pch s PRO 111 Cb -0.38 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.24 3pch s PRO 111 CO 0.31 -0.95 1.00 0.20 0.04 0.00 0.00 177.00 177.59 3pch s GLY 112 N -1.76 1.71 0.25 0.56 0.00 0.73 -4.74 107.32 104.07 3pch s GLY 112 Ca 0.74 -1.02 -0.30 0.00 0.00 0.00 0.00 44.72 44.14 3pch s GLY 112 CO 0.29 -0.61 1.11 0.14 0.00 0.00 0.00 173.10 174.03 3pch s VAL 113 N -3.21 3.57 0.13 1.40 1.01 -1.26 -4.46 120.40 117.59 3pch s VAL 113 Ca 0.61 1.50 0.07 0.00 0.00 0.00 0.00 61.98 64.15 3pch s VAL 113 Cb -0.10 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 3pch s VAL 113 CO 0.44 0.32 -0.15 0.68 0.00 0.00 0.00 175.10 176.39 3pch s VAL 114 N -0.82 1.44 0.24 2.92 -7.23 -1.25 -4.48 120.40 111.22 3pch s VAL 114 Ca 0.47 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.93 3pch s VAL 114 Cb -0.32 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.01 3pch s VAL 114 CO 0.39 -0.38 0.37 0.20 -0.31 0.00 0.00 175.10 175.38 3pch s ASN 115 N -2.46 6.32 1.05 4.85 0.01 -1.26 -0.44 114.94 123.02 3pch s ASN 115 Ca 0.10 0.15 -0.11 0.00 -0.71 0.00 0.00 52.86 52.30 3pch s ASN 115 Cb -0.05 -1.90 0.15 0.00 0.41 0.00 0.00 41.25 39.86 3pch s ASN 115 CO 0.04 -0.08 0.74 -0.46 -1.51 0.00 0.00 177.10 175.83 3pch n ASN 116 N -1.27 -0.54 -0.19 -1.22 0.23 0.27 -4.82 115.26 107.71 3pch n ASN 116 Ca -0.08 -1.15 0.01 0.00 -0.53 0.00 0.00 54.58 52.83 3pch n ASN 116 Cb 0.56 -0.60 0.26 0.00 -2.08 0.00 0.00 39.78 37.92 3pch n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pch h ALA 117 N -2.07 1.47 0.00 -2.53 0.00 -2.00 -0.26 119.26 113.87 3pch h ALA 117 Ca -0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3pch h ALA 117 Cb 0.72 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3pch h ALA 117 CO 0.17 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.90 3pch n ALA 118 N -2.43 2.58 -0.83 0.00 0.00 -1.26 -4.86 120.51 113.71 3pch n ALA 118 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3pch n ALA 118 Cb 0.05 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.23 3pch n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pch n GLY 119 N 0.73 0.56 3.71 0.00 0.00 -0.11 -5.04 105.19 105.05 3pch n GLY 119 Ca 0.12 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.53 3pch n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pch s VAL 120 N -2.00 5.23 0.28 1.61 1.01 -1.26 -4.75 120.40 120.53 3pch s VAL 120 Ca 0.00 0.75 -0.30 0.00 0.00 0.00 0.00 61.98 62.43 3pch s VAL 120 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3pch s VAL 120 CO 0.00 0.33 1.43 -2.84 0.00 0.00 0.00 175.10 174.02 3pch s PRO 121 N 0.73 4.26 0.00 2.72 0.02 -1.26 0.93 135.00 142.40 3pch s PRO 121 Ca 0.21 2.32 -0.01 0.00 0.02 0.00 0.00 61.00 63.54 3pch s PRO 121 Cb -0.14 -3.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3pch s PRO 121 CO 0.07 -0.40 0.15 -1.64 -0.33 0.00 0.00 177.00 174.85 3pch s MET 122 N -0.77 3.29 0.60 5.54 -1.94 0.42 -4.39 119.30 122.04 3pch s MET 122 Ca 0.57 -0.40 -0.18 0.00 -1.71 0.00 0.00 55.69 53.97 3pch s MET 122 Cb -0.42 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 3pch s MET 122 CO 0.47 0.66 1.18 0.00 -0.01 0.00 0.00 175.02 177.31 3pch s ALA 123 N -1.31 2.55 0.18 3.03 0.00 -1.26 -3.91 121.76 121.03 3pch s ALA 123 Ca 0.27 0.92 -0.33 0.00 0.00 0.00 0.00 51.96 52.82 3pch s ALA 123 Cb -0.12 -3.42 -0.16 0.00 0.00 0.00 0.00 23.12 19.42 3pch s ALA 123 CO 0.18 -1.13 1.17 -2.30 0.00 0.00 0.00 175.76 173.69 3pch n PRO 124 N -1.66 1.21 -3.56 0.00 -0.02 -1.26 -4.87 135.00 124.84 3pch n PRO 124 Ca 0.13 0.43 -0.13 0.00 -2.02 0.00 0.00 63.50 61.91 3pch n PRO 124 Cb 0.50 -1.93 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 3pch n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pch s HIS 125 N -0.21 -0.40 -0.16 6.00 -3.43 -1.26 -4.41 115.29 111.43 3pch s HIS 125 Ca 0.73 0.32 0.00 0.00 -0.80 0.00 0.00 55.06 55.30 3pch s HIS 125 Cb -0.84 0.36 -0.00 0.00 -1.43 0.00 0.00 32.58 30.68 3pch s HIS 125 CO 0.52 -0.69 -0.16 0.42 -2.00 0.00 0.00 174.74 172.83 3pch s ILE 126 N -2.99 2.61 -0.11 -5.38 1.01 0.04 -4.63 121.20 111.76 3pch s ILE 126 Ca -0.02 -0.79 -0.26 0.00 0.00 0.00 0.00 60.65 59.58 3pch s ILE 126 Cb -0.00 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 3pch s ILE 126 CO -0.06 0.52 0.84 0.20 0.00 0.00 0.00 174.94 176.44 3pch s ASN 127 N 0.86 7.06 0.02 3.58 0.01 -0.29 0.76 114.94 126.95 3pch s ASN 127 Ca -0.05 1.30 0.08 0.00 -0.71 0.00 0.00 52.86 53.48 3pch s ASN 127 Cb -0.15 -2.47 -0.02 0.00 0.41 0.00 0.00 41.25 39.01 3pch s ASN 127 CO -0.01 -0.31 -0.23 -0.63 -1.51 0.00 0.00 177.10 174.41 3pch s ILE 128 N 1.62 1.83 -0.13 0.60 1.01 0.66 -0.98 121.20 125.82 3pch s ILE 128 Ca 0.41 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.91 3pch s ILE 128 Cb -0.18 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.75 3pch s ILE 128 CO 0.17 0.36 -0.14 -0.44 0.00 0.00 0.00 174.94 174.89 3pch s SER 129 N -0.95 2.49 -0.19 3.58 0.01 -0.57 -0.99 113.70 117.09 3pch s SER 129 Ca 0.09 -0.43 -0.07 0.00 1.31 0.00 0.00 55.95 56.85 3pch s SER 129 Cb -0.09 -1.09 -0.04 0.00 0.21 0.00 0.00 66.02 65.01 3pch s SER 129 CO 0.01 -0.03 0.06 -0.22 0.41 0.00 0.00 173.24 173.46 3pch s LEU 130 N 1.30 3.77 0.18 2.44 2.96 0.23 -1.98 118.68 127.59 3pch s LEU 130 Ca -0.00 0.05 0.11 0.00 -0.22 0.00 0.00 54.13 54.07 3pch s LEU 130 Cb -0.14 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 3pch s LEU 130 CO -0.06 0.16 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.54 3pch s PHE 131 N 0.46 2.19 0.00 5.38 0.40 0.29 -2.05 117.98 124.65 3pch s PHE 131 Ca 0.03 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 3pch s PHE 131 Cb -0.13 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.31 3pch s PHE 131 CO 0.01 0.46 0.00 0.00 0.70 0.00 0.00 175.22 176.38 3pch n ALA 132 N 0.30 0.00 -1.73 5.36 0.00 -1.26 -0.20 120.51 122.98 3pch n ALA 132 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.92 3pch n ALA 132 Cb 0.56 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.05 3pch n ALA 132 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3pch n ARG 133 N -0.39 1.67 0.00 0.00 1.85 -1.24 0.09 116.66 118.64 3pch n ARG 133 Ca 0.00 0.61 0.00 0.00 -1.00 0.00 0.00 57.85 57.46 3pch n ARG 133 Cb 0.00 -2.53 0.00 0.00 -1.05 0.00 0.00 32.46 28.88 3pch n ARG 133 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3pch n GLY 134 N 0.80 2.32 3.31 2.89 0.00 -1.26 -4.95 105.19 108.31 3pch n GLY 134 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3pch n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pch s ILE 135 N -2.51 4.35 0.20 -0.61 1.01 0.11 -4.97 121.20 118.78 3pch s ILE 135 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 3pch s ILE 135 Cb 0.00 -3.55 0.04 0.00 0.01 0.00 0.00 42.46 38.97 3pch s ILE 135 CO 0.00 -0.37 1.63 0.78 0.00 0.00 0.00 174.94 176.98 3pch h ASN 136 N 8.41 0.87 -3.62 3.58 2.35 -1.91 -3.33 115.58 121.93 3pch h ASN 136 Ca -0.24 -0.30 -0.30 0.00 -0.55 0.00 0.00 56.30 54.91 3pch h ASN 136 Cb 1.09 -0.24 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 3pch h ASN 136 CO 0.71 1.03 -0.74 -0.51 -1.65 0.00 0.00 177.43 176.27 3pch s ILE 137 N -4.72 0.09 0.70 2.81 2.07 -1.26 -3.19 121.20 117.71 3pch s ILE 137 Ca -0.10 0.06 -0.16 0.00 -1.41 0.00 0.00 60.65 59.03 3pch s ILE 137 Cb 0.13 -0.16 -0.00 0.00 0.13 0.00 0.00 42.46 42.56 3pch s ILE 137 CO 0.84 0.09 0.98 0.00 -1.91 0.00 0.00 174.94 174.93 3pch n HIS 138 N 3.70 0.72 -3.80 3.50 1.44 -1.26 -5.00 115.22 114.52 3pch n HIS 138 Ca -0.21 0.40 -0.36 0.00 -2.01 0.00 0.00 57.72 55.54 3pch n HIS 138 Cb 0.54 -2.09 -0.10 0.00 0.12 0.00 0.00 29.99 28.46 3pch n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pch s LEU 139 N -2.99 3.95 -0.18 2.39 1.43 -0.87 -4.89 118.68 117.52 3pch s LEU 139 Ca 0.74 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.83 3pch s LEU 139 Cb -0.36 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.79 3pch s LEU 139 CO 0.49 0.11 0.11 -1.00 0.23 0.00 0.00 176.35 176.29 3pch s HIS 140 N 0.79 3.40 0.28 0.29 3.76 -1.26 0.77 115.29 123.32 3pch s HIS 140 Ca 0.06 0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 55.17 3pch s HIS 140 Cb -0.13 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.47 3pch s HIS 140 CO 0.02 0.35 0.49 -0.08 -0.85 0.00 0.00 174.74 174.67 3pch s THR 141 N 0.06 0.00 0.01 1.30 -1.32 -0.16 0.13 115.64 115.67 3pch s THR 141 Ca 0.08 -1.43 0.05 0.00 -1.21 0.00 0.00 61.69 59.18 3pch s THR 141 Cb -0.11 -2.37 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 3pch s THR 141 CO -0.00 0.00 -0.15 -0.13 -2.21 0.00 0.00 174.62 172.13 3pch s ARG 142 N -3.65 1.10 -0.16 7.08 0.52 -1.26 -0.24 118.95 122.34 3pch s ARG 142 Ca 0.24 -0.62 -0.04 0.00 -0.52 0.00 0.00 55.73 54.79 3pch s ARG 142 Cb -0.01 -1.09 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 3pch s ARG 142 CO 0.12 0.29 -0.03 -1.17 0.02 0.00 0.00 175.30 174.53 3pch s LEU 143 N -0.65 3.32 0.24 2.53 0.20 0.23 -4.77 118.68 119.78 3pch s LEU 143 Ca 0.04 -0.10 0.12 0.00 0.69 0.00 0.00 54.13 54.88 3pch s LEU 143 Cb -0.06 -1.80 -0.05 0.00 -0.43 0.00 0.00 46.19 43.84 3pch s LEU 143 CO 0.00 0.17 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.71 3pch s TYR 144 N 0.36 2.31 -0.13 5.38 1.51 -0.38 -0.78 117.35 125.62 3pch s TYR 144 Ca -0.03 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.64 3pch s TYR 144 Cb -0.14 -1.07 -0.04 0.00 -0.11 0.00 0.00 41.96 40.61 3pch s TYR 144 CO 0.03 0.62 0.06 -0.06 -1.11 0.00 0.00 175.55 175.08 3pch s PHE 145 N -2.12 3.30 0.32 2.71 0.40 -1.26 0.14 117.98 121.47 3pch s PHE 145 Ca 0.26 0.23 0.22 0.00 -0.60 0.00 0.00 56.93 57.04 3pch s PHE 145 Cb -0.06 -1.93 1.07 0.00 0.51 0.00 0.00 43.02 42.61 3pch s PHE 145 CO 0.13 0.43 1.92 0.38 0.70 0.00 0.00 175.22 178.77 3pch h ASP 146 N 5.65 0.00 -0.22 1.36 2.03 -1.35 -2.53 116.42 121.36 3pch h ASP 146 Ca -0.47 0.00 -0.07 0.00 -0.73 0.00 0.00 57.03 55.76 3pch h ASP 146 Cb 1.19 0.00 -0.04 0.00 -0.83 0.00 0.00 39.33 39.65 3pch h ASP 146 CO 0.61 0.23 0.09 -0.90 -1.03 0.00 0.00 179.24 178.24 3pch n ASP 147 N -3.68 2.77 -2.34 4.15 5.68 -1.26 -3.74 116.55 118.11 3pch n ASP 147 Ca -0.01 -2.35 -0.04 0.00 -0.50 0.00 0.00 54.79 51.89 3pch n ASP 147 Cb 0.35 -0.57 0.05 0.00 -1.14 0.00 0.00 41.12 39.81 3pch n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pch n GLU 148 N 0.11 1.79 -0.35 0.11 -0.58 -0.95 -4.90 120.64 115.87 3pch n GLU 148 Ca 0.12 -3.37 0.10 0.00 -0.42 0.00 0.00 57.16 53.59 3pch n GLU 148 Cb 0.67 -1.47 0.27 0.00 -0.57 0.00 0.00 31.44 30.35 3pch n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pch h ALA 149 N 2.17 1.54 0.51 0.62 0.00 -1.76 0.12 119.26 122.47 3pch h ALA 149 Ca -0.05 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3pch h ALA 149 Cb 1.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 3pch h ALA 149 CO 0.27 0.04 -0.42 1.96 0.00 0.00 0.00 179.25 181.09 3pch h GLN 150 N 0.82 -0.89 -0.43 0.00 4.20 -1.93 0.22 115.11 117.09 3pch h GLN 150 Ca 0.53 0.06 0.04 0.00 0.06 0.00 0.00 58.65 59.34 3pch h GLN 150 Cb 0.71 0.20 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 3pch h GLN 150 CO -0.34 -0.59 0.20 0.00 -0.67 0.00 0.00 178.83 177.43 3pch h ALA 151 N -0.64 0.54 -0.93 3.87 0.00 -1.86 -2.41 119.26 117.84 3pch h ALA 151 Ca -0.06 0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3pch h ALA 151 Cb 0.79 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.46 3pch h ALA 151 CO -0.01 -0.16 0.57 -0.91 0.00 0.00 0.00 179.25 178.74 3pch h ASN 152 N 0.41 0.84 0.24 0.00 2.35 -0.50 0.21 115.58 119.13 3pch h ASN 152 Ca 0.19 0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 3pch h ASN 152 Cb 0.11 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 3pch h ASN 152 CO -0.15 0.47 -0.17 0.00 -1.65 0.00 0.00 177.43 175.94 3pch h ALA 153 N 1.49 1.55 0.00 -0.83 0.00 -0.05 -2.78 119.26 118.63 3pch h ALA 153 Ca 0.44 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3pch h ALA 153 Cb 0.38 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pch h ALA 153 CO -0.24 0.21 -0.93 1.63 0.00 0.00 0.00 179.25 179.92 3pch n LYS 154 N -4.09 0.27 -1.68 0.00 4.76 -0.08 -4.93 118.16 112.40 3pch n LYS 154 Ca -0.02 0.01 -0.52 0.00 -2.87 0.00 0.00 58.31 54.91 3pch n LYS 154 Cb 0.25 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 3pch n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pch h PRO 156 N 7.72 0.00 0.00 0.00 0.13 -1.91 -0.60 132.00 137.34 3pch h PRO 156 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3pch h PRO 156 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3pch h PRO 156 CO 0.93 0.22 -0.00 0.28 -0.23 0.00 0.00 178.00 179.20 3pch h VAL 157 N 0.00 1.30 -0.74 1.56 2.07 -1.93 -3.24 116.25 115.27 3pch h VAL 157 Ca -0.00 -1.96 0.09 0.00 0.82 0.00 0.00 66.70 65.65 3pch h VAL 157 Cb 0.47 2.45 -0.05 0.00 -1.52 0.00 0.00 31.29 32.64 3pch h VAL 157 CO 0.03 0.44 0.49 0.25 0.02 0.00 0.00 177.57 178.79 3pch h LEU 158 N -0.99 0.61 -0.04 2.57 5.85 -1.88 0.77 115.31 122.20 3pch h LEU 158 Ca -0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3pch h LEU 158 Cb 0.72 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.63 3pch h LEU 158 CO 0.00 0.38 0.00 0.59 -0.34 0.00 0.00 178.44 179.07 3pch n ASN 159 N -4.49 0.04 0.16 1.25 3.02 -0.24 -1.79 115.26 113.21 3pch n ASN 159 Ca 0.12 0.51 0.05 0.00 -0.03 0.00 0.00 54.58 55.23 3pch n ASN 159 Cb 0.30 -0.52 0.11 0.00 -0.61 0.00 0.00 39.78 39.06 3pch n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pch h LEU 160 N 0.00 0.00 -9.02 3.41 3.38 -0.86 -3.43 115.31 108.80 3pch h LEU 160 Ca 0.00 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pch h LEU 160 Cb 0.26 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 3pch h LEU 160 CO 0.00 0.39 0.98 -0.63 0.09 0.00 0.00 178.44 179.27 3pch s ILE 161 N -3.10 4.10 0.08 1.22 1.01 -0.74 -4.91 121.20 118.86 3pch s ILE 161 Ca 0.04 1.26 -0.33 0.00 0.00 0.00 0.00 60.65 61.62 3pch s ILE 161 Cb 0.08 -4.04 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 3pch s ILE 161 CO 0.72 -0.36 1.52 -0.33 0.00 0.00 0.00 174.94 176.48 3pch h GLU 162 N 9.27 -0.84 -6.58 2.79 5.08 -1.87 -3.39 114.58 119.04 3pch h GLU 162 Ca -0.28 0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.58 3pch h GLU 162 Cb 1.11 0.19 -0.06 0.00 0.50 0.00 0.00 28.75 30.49 3pch h GLU 162 CO 1.01 -0.56 0.96 -0.65 -1.00 0.00 0.00 179.01 178.78 3pch s GLN 163 N -5.62 3.74 0.32 2.33 -1.52 -1.26 -4.92 119.66 112.73 3pch s GLN 163 Ca -0.16 0.81 0.10 0.00 -1.95 0.00 0.00 55.36 54.15 3pch s GLN 163 Cb 0.04 -3.92 0.89 0.00 -0.22 0.00 0.00 33.01 29.81 3pch s GLN 163 CO 0.56 -1.35 1.73 -1.35 -0.25 0.00 0.00 175.29 174.63 3pch h PRO 164 N 9.52 0.56 -0.92 2.91 0.11 -1.98 0.17 132.00 142.37 3pch h PRO 164 Ca -0.24 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.92 3pch h PRO 164 Cb 1.08 -0.13 -0.07 0.00 0.11 0.00 0.00 31.00 31.99 3pch h PRO 164 CO 1.09 0.37 0.57 1.96 -0.21 0.00 0.00 178.00 181.79 3pch h GLN 165 N 0.58 0.96 0.00 1.05 7.50 -1.95 -1.57 115.11 121.68 3pch h GLN 165 Ca 0.65 -0.06 -0.04 0.00 0.50 0.00 0.00 58.65 59.70 3pch h GLN 165 Cb 1.24 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 28.55 3pch h GLN 165 CO -0.48 0.64 -0.17 0.00 -1.50 0.00 0.00 178.83 177.32 3pch h ARG 166 N 0.99 0.00 -0.05 1.46 3.08 -1.05 -2.73 114.38 116.08 3pch h ARG 166 Ca 0.42 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.40 3pch h ARG 166 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3pch h ARG 166 CO -0.21 0.17 -0.32 0.00 -1.07 0.00 0.00 179.97 178.54 3pch h ARG 167 N 0.00 0.09 -0.10 0.04 3.08 -1.23 -2.75 114.38 113.51 3pch h ARG 167 Ca -0.00 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 3pch h ARG 167 Cb 0.51 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3pch h ARG 167 CO 0.02 0.41 0.02 0.93 -1.07 0.00 0.00 179.97 180.28 3pch h GLU 168 N 0.08 0.14 0.00 0.04 5.08 -1.53 -1.60 114.58 116.80 3pch h GLU 168 Ca 0.01 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3pch h GLU 168 Cb 0.62 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3pch h GLU 168 CO 0.04 0.14 0.00 1.79 -1.00 0.00 0.00 179.01 179.99 3pch h THR 169 N 0.15 0.00 -0.01 1.13 1.35 -1.63 -1.43 112.91 112.46 3pch h THR 169 Ca 0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3pch h THR 169 Cb 0.07 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 3pch h THR 169 CO -0.00 0.00 -0.32 0.18 -0.25 0.00 0.00 175.52 175.13 3pch n LEU 170 N -3.00 1.38 -4.56 3.87 4.77 -0.60 -4.82 117.00 114.04 3pch n LEU 170 Ca -0.03 -0.44 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 3pch n LEU 170 Cb 0.08 -0.08 -0.07 0.00 -2.33 0.00 0.00 43.42 41.02 3pch n LEU 170 CO 0.19 0.26 0.34 -0.63 -1.33 0.00 0.00 177.39 176.22 3pch s ILE 171 N -2.47 4.92 0.13 -0.08 1.01 -0.54 -1.26 121.20 122.91 3pch s ILE 171 Ca 0.23 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.06 3pch s ILE 171 Cb 0.19 -4.05 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 3pch s ILE 171 CO 0.53 -0.31 1.03 0.00 0.00 0.00 0.00 174.94 176.20 3pch s ALA 172 N 2.63 3.30 -0.34 9.38 0.00 0.38 -4.84 121.76 132.27 3pch s ALA 172 Ca 0.23 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.67 3pch s ALA 172 Cb -0.15 -3.32 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3pch s ALA 172 CO 0.15 -0.13 0.65 0.15 0.00 0.00 0.00 175.76 176.57 3pch s LYS 173 N -0.03 3.76 0.42 0.00 1.02 -0.87 -0.92 119.74 123.11 3pch s LYS 173 Ca 0.49 0.16 -0.26 0.00 0.02 0.00 0.00 55.97 56.38 3pch s LYS 173 Cb -0.26 -3.78 -0.09 0.00 -0.52 0.00 0.00 37.83 33.17 3pch s LYS 173 CO 0.32 -0.70 1.42 0.50 -0.92 0.00 0.00 175.35 175.97 3pch s ARG 174 N 2.72 3.89 0.13 1.68 3.52 -1.26 -1.15 118.95 128.48 3pch s ARG 174 Ca 0.25 2.41 -0.03 0.00 -0.13 0.00 0.00 55.73 58.23 3pch s ARG 174 Cb -0.14 -2.78 0.01 0.00 -1.56 0.00 0.00 34.95 30.47 3pch s ARG 174 CO 0.14 -0.65 0.24 0.00 -0.81 0.00 0.00 175.30 174.22 3pch s GLU 176 N -2.12 0.47 -0.25 0.00 2.56 -1.25 -1.11 118.70 116.99 3pch s GLU 176 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.97 54.88 3pch s GLU 176 Cb -0.01 -0.48 0.07 0.00 2.00 0.00 0.00 34.13 35.71 3pch s GLU 176 CO 0.05 0.07 0.01 0.08 -0.56 0.00 0.00 175.26 174.92 3pch s VAL 177 N 0.10 1.21 -1.09 3.70 1.01 0.59 -4.69 120.40 121.23 3pch s VAL 177 Ca -0.01 -1.20 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 3pch s VAL 177 Cb -0.05 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.67 3pch s VAL 177 CO -0.00 -0.30 0.93 0.47 0.00 0.00 0.00 175.10 176.20 3pch n ASP 178 N 4.76 -3.77 -3.75 3.32 8.00 -1.26 -2.01 116.55 121.84 3pch n ASP 178 Ca -0.08 -0.50 -0.26 0.00 0.71 0.00 0.00 54.79 54.66 3pch n ASP 178 Cb 0.44 -4.42 0.05 0.00 -0.02 0.00 0.00 41.12 37.17 3pch n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pch n GLY 179 N -1.43 -0.49 3.08 0.44 0.00 -1.26 -4.98 105.19 100.54 3pch n GLY 179 Ca -0.13 0.21 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 3pch n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pch s LYS 180 N -6.39 0.78 -0.01 1.61 2.47 -0.85 -5.11 119.74 112.24 3pch s LYS 180 Ca 0.55 -0.56 -0.30 0.00 -1.56 0.00 0.00 55.97 54.09 3pch s LYS 180 Cb -0.26 -0.74 -0.06 0.00 -1.46 0.00 0.00 37.83 35.31 3pch s LYS 180 CO 0.79 0.19 1.50 0.99 0.16 0.00 0.00 175.35 178.97 3pch s THR 181 N -0.64 3.57 0.13 3.43 2.01 -1.26 0.22 115.64 123.10 3pch s THR 181 Ca 0.01 0.91 0.04 0.00 0.31 0.00 0.00 61.69 62.96 3pch s THR 181 Cb -0.06 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.82 3pch s THR 181 CO 0.00 -0.02 -0.10 0.00 -0.69 0.00 0.00 174.62 173.81 3pch s ALA 182 N 2.85 1.35 -0.04 7.40 0.00 -0.27 -0.72 121.76 132.33 3pch s ALA 182 Ca 0.67 -1.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.19 3pch s ALA 182 Cb -0.33 0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.88 3pch s ALA 182 CO 0.28 -0.10 0.08 0.71 0.00 0.00 0.00 175.76 176.73 3pch s TYR 183 N -3.21 -0.06 -0.21 0.00 1.51 0.99 0.36 117.35 116.73 3pch s TYR 183 Ca 0.14 0.28 -0.13 0.00 -1.01 0.00 0.00 57.07 56.36 3pch s TYR 183 Cb 0.02 -0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.66 3pch s TYR 183 CO -0.00 -0.12 0.25 0.50 -1.11 0.00 0.00 175.55 175.07 3pch s ARG 184 N 1.09 4.15 -0.32 -0.62 3.52 -0.30 -2.14 118.95 124.32 3pch s ARG 184 Ca -0.09 -0.06 -0.00 0.00 -0.13 0.00 0.00 55.73 55.45 3pch s ARG 184 Cb -0.12 -3.50 0.10 0.00 -1.56 0.00 0.00 34.95 29.87 3pch s ARG 184 CO -0.04 0.10 0.11 0.12 -0.81 0.00 0.00 175.30 174.77 3pch s PHE 185 N 0.92 1.86 -0.10 5.12 5.36 0.13 -2.04 117.98 129.23 3pch s PHE 185 Ca 0.13 -1.88 -0.16 0.00 -0.96 0.00 0.00 56.93 54.05 3pch s PHE 185 Cb -0.13 -1.81 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 3pch s PHE 185 CO 0.04 -0.88 0.41 -0.51 -1.46 0.00 0.00 175.22 172.83 3pch s ASP 186 N 1.46 6.65 -0.17 6.13 1.01 -1.26 -3.91 116.67 126.57 3pch s ASP 186 Ca 0.11 0.76 -0.04 0.00 0.71 0.00 0.00 52.55 54.09 3pch s ASP 186 Cb -0.18 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 3pch s ASP 186 CO -0.22 0.10 -0.03 -0.63 0.21 0.00 0.00 175.17 174.61 3pch s ILE 187 N 0.18 3.90 -0.33 0.77 1.01 0.10 -4.96 121.20 121.88 3pch s ILE 187 Ca 0.23 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3pch s ILE 187 Cb -0.15 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.67 3pch s ILE 187 CO 0.09 0.48 0.04 -0.13 0.00 0.00 0.00 174.94 175.42 3pch s ARG 188 N 0.54 2.18 0.19 2.79 0.52 -1.26 -0.57 118.95 123.33 3pch s ARG 188 Ca -0.03 -1.49 -0.11 0.00 -0.52 0.00 0.00 55.73 53.59 3pch s ARG 188 Cb -0.14 -3.24 0.11 0.00 0.52 0.00 0.00 34.95 32.20 3pch s ARG 188 CO 0.03 -0.76 1.78 0.82 0.02 0.00 0.00 175.30 177.18 3pch h ILE 189 N 6.50 1.22 -3.13 1.52 2.04 -1.65 0.23 117.51 124.25 3pch h ILE 189 Ca -0.17 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 64.99 3pch h ILE 189 Cb 1.05 0.39 -0.16 0.00 -0.74 0.00 0.00 36.82 37.35 3pch h ILE 189 CO 0.56 0.26 -0.15 -1.58 0.00 0.00 0.00 178.15 177.24 3pch s GLN 190 N -5.73 0.90 1.88 2.37 0.74 -1.26 -4.72 119.66 113.84 3pch s GLN 190 Ca -0.13 -0.42 0.00 0.00 0.05 0.00 0.00 55.36 54.86 3pch s GLN 190 Cb 0.14 0.40 0.00 0.00 1.10 0.00 0.00 33.01 34.64 3pch s GLN 190 CO 0.80 -0.30 0.00 0.41 -0.55 0.00 0.00 175.29 175.64 3pch n GLY 191 N 0.49 -0.22 3.67 2.59 0.00 -1.26 -4.15 105.19 106.30 3pch n GLY 191 Ca -0.18 -1.38 -0.48 0.00 0.00 0.00 0.00 46.02 43.98 3pch n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pch n GLU 192 N 0.35 2.02 -2.24 1.61 2.13 -1.26 -1.08 120.64 122.17 3pch n GLU 192 Ca 0.00 0.73 -0.17 0.00 0.66 0.00 0.00 57.16 58.38 3pch n GLU 192 Cb 0.00 -2.52 -0.02 0.00 0.27 0.00 0.00 31.44 29.18 3pch n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pch n GLY 193 N 3.79 -0.12 3.67 8.31 0.00 -1.26 -4.91 105.19 114.67 3pch n GLY 193 Ca 0.20 -0.17 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 3pch n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pch n GLU 194 N -2.63 2.13 -2.33 1.61 2.13 -0.24 -4.62 120.64 116.69 3pch n GLU 194 Ca -0.20 0.77 -0.39 0.00 0.66 0.00 0.00 57.16 58.00 3pch n GLU 194 Cb 0.64 -2.52 -0.03 0.00 0.27 0.00 0.00 31.44 29.81 3pch n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pch s THR 195 N 0.74 3.21 0.12 6.31 2.01 0.82 -4.96 115.64 123.89 3pch s THR 195 Ca 0.77 1.09 -0.31 0.00 0.31 0.00 0.00 61.69 63.55 3pch s THR 195 Cb -0.67 -3.64 -0.08 0.00 0.01 0.00 0.00 72.50 68.11 3pch s THR 195 CO 0.40 0.16 1.43 -0.69 -0.69 0.00 0.00 174.62 175.23 3pch s VAL 196 N -1.33 3.18 0.03 3.82 1.01 -1.26 -4.91 120.40 120.94 3pch s VAL 196 Ca 0.53 0.83 0.07 0.00 0.00 0.00 0.00 61.98 63.41 3pch s VAL 196 Cb -0.32 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3pch s VAL 196 CO 0.41 0.06 -0.20 -0.36 0.00 0.00 0.00 175.10 175.01 3pch s PHE 197 N 1.20 2.51 0.27 5.22 0.08 -1.26 -4.64 117.98 121.36 3pch s PHE 197 Ca 0.66 -0.29 0.09 0.00 0.12 0.00 0.00 56.93 57.51 3pch s PHE 197 Cb -0.38 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3pch s PHE 197 CO 0.30 0.20 0.05 -0.06 -0.10 0.00 0.00 175.22 175.62 3pch s PHE 198 N -0.86 2.78 -0.05 0.36 0.08 0.12 -5.00 117.98 115.40 3pch s PHE 198 Ca 0.13 -0.22 0.02 0.00 0.12 0.00 0.00 56.93 56.98 3pch s PHE 198 Cb -0.10 -1.29 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3pch s PHE 198 CO 0.04 0.57 -0.08 0.34 -0.10 0.00 0.00 175.22 175.99 3pch s ASP 199 N -3.73 1.24 0.00 1.36 2.15 -1.26 -4.28 116.67 112.15 3pch s ASP 199 Ca 0.32 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 53.11 3pch s ASP 199 Cb -0.06 -0.55 0.00 0.00 -0.30 0.00 0.00 42.92 42.00 3pch s ASP 199 CO 0.21 -0.01 0.00 2.22 -0.17 0.00 0.00 175.17 177.43