#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcc s ILE 2 N 0.00 4.72 -0.09 4.25 -1.09 -1.26 -5.05 121.20 122.69 3pcc s ILE 2 Ca 0.00 1.98 0.03 0.00 -2.23 0.00 0.00 60.65 60.42 3pcc s ILE 2 Cb 0.00 -4.27 -0.01 0.00 -1.58 0.00 0.00 42.46 36.59 3pcc s ILE 2 CO 0.00 0.05 -0.17 -1.61 -1.23 0.00 0.00 174.94 171.98 3pcc s GLU 3 N 1.70 2.94 0.12 2.79 0.41 -1.26 -5.14 118.70 120.26 3pcc s GLU 3 Ca 0.51 -0.76 0.02 0.00 -0.41 0.00 0.00 54.97 54.33 3pcc s GLU 3 Cb -0.20 -2.43 0.02 0.00 -1.78 0.00 0.00 34.13 29.74 3pcc s GLU 3 CO 0.22 0.35 0.16 1.28 -0.49 0.00 0.00 175.26 176.78 3pcc n LEU 4 N 3.09 0.00 -4.77 1.80 4.32 -1.26 -5.06 117.00 115.12 3pcc n LEU 4 Ca -0.18 -0.52 -0.37 0.00 -0.02 0.00 0.00 56.01 54.92 3pcc n LEU 4 Cb 0.52 -0.08 -0.01 0.00 -1.62 0.00 0.00 43.42 42.23 3pcc n LEU 4 CO 0.28 -0.53 0.83 -0.76 -1.22 0.00 0.00 177.39 175.99 3pcc s LEU 5 N 0.00 4.08 0.31 2.23 1.43 -1.26 -4.98 118.68 120.49 3pcc s LEU 5 Ca 0.12 2.32 -0.28 0.00 -1.03 0.00 0.00 54.13 55.26 3pcc s LEU 5 Cb -0.01 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 3pcc s LEU 5 CO 0.08 -0.83 1.07 -2.84 0.23 0.00 0.00 176.35 174.05 3pcc s PRO 6 N -2.56 4.53 0.54 1.29 0.02 -1.26 -5.01 135.00 132.55 3pcc s PRO 6 Ca 0.61 1.68 -0.20 0.00 0.02 0.00 0.00 61.00 63.12 3pcc s PRO 6 Cb -0.29 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.15 3pcc s PRO 6 CO 0.36 0.15 1.14 -2.00 -0.33 0.00 0.00 177.00 176.32 3pcc s GLU 7 N -1.71 3.38 0.15 5.54 2.12 -1.26 -4.96 118.70 121.96 3pcc s GLU 7 Ca 0.48 1.64 -0.31 0.00 0.36 0.00 0.00 54.97 57.13 3pcc s GLU 7 Cb -0.28 -2.04 -0.10 0.00 0.26 0.00 0.00 34.13 31.97 3pcc s GLU 7 CO 0.36 -0.84 1.67 0.99 -0.54 0.00 0.00 175.26 176.91 3pcc s THR 8 N -1.74 2.51 0.44 -1.70 2.01 -1.26 -4.95 115.64 110.95 3pcc s THR 8 Ca 0.72 0.26 -0.24 0.00 0.31 0.00 0.00 61.69 62.75 3pcc s THR 8 Cb -0.25 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.02 3pcc s THR 8 CO 0.28 0.01 1.20 -2.84 -0.69 0.00 0.00 174.62 172.58 3pcc s PRO 9 N 1.68 3.82 0.65 4.92 0.02 -1.26 -5.02 135.00 139.81 3pcc s PRO 9 Ca 0.74 1.88 -0.13 0.00 0.02 0.00 0.00 61.00 63.50 3pcc s PRO 9 Cb -0.45 -2.52 -0.01 0.00 0.02 0.00 0.00 34.50 31.54 3pcc s PRO 9 CO 0.32 -0.53 1.06 0.45 -0.33 0.00 0.00 177.00 177.98 3pcc s SER 10 N -1.19 5.54 0.02 2.53 0.15 -1.26 -5.09 113.70 114.40 3pcc s SER 10 Ca 0.61 1.72 -0.02 0.00 0.70 0.00 0.00 55.95 58.96 3pcc s SER 10 Cb -0.31 -2.51 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 3pcc s SER 10 CO 0.39 -1.34 0.02 -1.10 1.20 0.00 0.00 173.24 172.41 3pcc s GLN 11 N -4.59 0.40 0.81 5.44 -1.52 -1.20 -4.91 119.66 114.09 3pcc s GLN 11 Ca 0.61 -0.61 -0.13 0.00 -1.95 0.00 0.00 55.36 53.27 3pcc s GLN 11 Cb -0.15 0.15 0.07 0.00 -0.22 0.00 0.00 33.01 32.86 3pcc s GLN 11 CO 0.47 -0.08 1.12 -2.37 -0.25 0.00 0.00 175.29 174.18 3pcc n THR 12 N 1.38 1.90 0.17 -0.19 5.66 -1.20 -4.79 114.28 117.21 3pcc n THR 12 Ca -0.23 -0.22 0.05 0.00 -3.05 0.00 0.00 64.05 60.61 3pcc n THR 12 Cb 0.56 -1.14 0.19 0.00 -1.55 0.00 0.00 70.33 68.39 3pcc n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcc h ALA 13 N -0.91 0.82 0.00 1.79 0.00 -1.74 -3.50 119.26 115.72 3pcc h ALA 13 Ca -0.46 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.08 3pcc h ALA 13 Cb 1.30 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3pcc h ALA 13 CO 0.45 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.62 3pcc n GLY 14 N 0.78 -1.39 0.26 0.00 0.00 -1.26 -4.16 105.19 99.41 3pcc n GLY 14 Ca 0.01 -1.58 0.16 0.00 0.00 0.00 0.00 46.02 44.61 3pcc n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcc h PRO 15 N 0.00 0.00 -0.55 1.61 0.13 -1.93 -3.22 132.00 128.04 3pcc h PRO 15 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3pcc h PRO 15 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3pcc h PRO 15 CO 0.00 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 178.43 3pcc n TYR 16 N -3.04 1.84 -0.22 1.56 4.01 -1.26 -4.64 117.16 115.41 3pcc n TYR 16 Ca 0.01 -0.72 0.31 0.00 -0.16 0.00 0.00 57.90 57.34 3pcc n TYR 16 Cb 0.35 -0.44 0.73 0.00 -0.31 0.00 0.00 39.34 39.67 3pcc n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcc h VAL 17 N 3.75 0.44 -0.11 -0.72 3.04 -1.71 -1.58 116.25 119.35 3pcc h VAL 17 Ca 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.67 3pcc h VAL 17 Cb 1.82 0.47 -0.01 0.00 -2.01 0.00 0.00 31.29 31.56 3pcc h VAL 17 CO 0.41 0.00 -0.03 0.45 -1.01 0.00 0.00 177.57 177.39 3pcc h HIS 18 N 0.00 0.15 -0.37 3.17 3.86 -1.85 -1.92 115.15 118.19 3pcc h HIS 18 Ca 0.47 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.67 3pcc h HIS 18 Cb 1.97 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 30.38 3pcc h HIS 18 CO 0.00 0.19 0.21 -0.84 0.86 0.00 0.00 177.93 178.35 3pcc h ILE 19 N 0.15 1.11 0.01 2.45 3.07 -1.52 0.58 117.51 123.37 3pcc h ILE 19 Ca 0.04 -0.27 -0.34 0.00 1.55 0.00 0.00 64.86 65.84 3pcc h ILE 19 Cb 0.16 0.61 -0.06 0.00 -0.27 0.00 0.00 36.82 37.26 3pcc h ILE 19 CO 0.01 0.12 -2.11 0.61 -1.05 0.00 0.00 178.15 175.73 3pcc n GLY 20 N -1.39 -0.95 0.00 0.16 0.00 -0.94 -4.58 105.19 97.50 3pcc n GLY 20 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3pcc n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcc n LEU 21 N -2.92 0.45 -3.00 0.99 4.77 -0.77 -4.83 117.00 111.69 3pcc n LEU 21 Ca -0.27 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 54.89 3pcc n LEU 21 Cb 1.10 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.21 3pcc n LEU 21 CO 0.43 0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 3pcc n ALA 22 N -0.44 0.87 -0.21 -1.18 0.00 0.19 -4.98 120.51 114.76 3pcc n ALA 22 Ca 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 53.44 50.78 3pcc n ALA 22 Cb 0.01 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.45 3pcc n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcc h LEU 23 N 3.01 -1.17 0.07 0.00 4.07 -1.57 0.14 115.31 119.86 3pcc h LEU 23 Ca 0.02 0.23 0.02 0.00 0.08 0.00 0.00 57.88 58.22 3pcc h LEU 23 Cb 1.02 0.58 -0.05 0.00 1.08 0.00 0.00 40.66 43.29 3pcc h LEU 23 CO 0.35 -0.30 -0.53 -0.08 -1.08 0.00 0.00 178.44 176.79 3pcc h GLU 24 N -0.16 -0.70 -0.84 1.13 4.81 -1.86 -1.39 114.58 115.57 3pcc h GLU 24 Ca 0.23 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.72 3pcc h GLU 24 Cb 0.55 0.16 -0.13 0.00 0.63 0.00 0.00 28.75 29.96 3pcc h GLU 24 CO -0.69 -0.47 0.22 0.00 -0.73 0.00 0.00 179.01 177.35 3pcc h ALA 25 N -0.50 1.17 0.00 2.92 0.00 -1.47 4.50 119.26 125.89 3pcc h ALA 25 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3pcc h ALA 25 Cb 0.75 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3pcc h ALA 25 CO -0.32 -0.41 0.00 0.00 0.00 0.00 0.00 179.25 178.52 3pcc n ALA 26 N -2.69 1.80 -3.19 0.00 0.00 0.34 -4.85 120.51 111.92 3pcc n ALA 26 Ca 0.19 -0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.41 3pcc n ALA 26 Cb 0.60 -1.24 0.07 0.00 0.00 0.00 0.00 19.45 18.88 3pcc n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcc n GLY 27 N 0.00 -0.19 3.35 0.00 0.00 1.48 -4.99 105.19 104.84 3pcc n GLY 27 Ca 0.06 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 3pcc n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcc s ASN 28 N -3.78 2.80 0.35 1.61 0.01 -0.68 -5.04 114.94 110.20 3pcc s ASN 28 Ca 0.15 -0.89 -0.29 0.00 -0.71 0.00 0.00 52.86 51.13 3pcc s ASN 28 Cb -0.07 -0.17 -0.11 0.00 0.41 0.00 0.00 41.25 41.31 3pcc s ASN 28 CO 0.57 -0.03 1.49 -2.16 -1.51 0.00 0.00 177.10 175.46 3pcc s PRO 29 N -2.90 4.14 0.55 -0.60 0.04 -1.26 -3.96 135.00 131.00 3pcc s PRO 29 Ca 0.18 2.54 -0.00 0.00 0.04 0.00 0.00 61.00 63.75 3pcc s PRO 29 Cb -0.05 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.52 3pcc s PRO 29 CO 0.07 -0.52 0.79 0.95 0.04 0.00 0.00 177.00 178.33 3pcc s THR 30 N -0.83 2.98 0.71 1.26 -4.23 -1.26 -4.87 115.64 109.40 3pcc s THR 30 Ca 0.55 -0.54 0.02 0.00 -1.18 0.00 0.00 61.69 60.54 3pcc s THR 30 Cb -0.46 -3.14 0.13 0.00 1.34 0.00 0.00 72.50 70.38 3pcc s THR 30 CO 0.58 -0.10 0.98 -0.13 -0.54 0.00 0.00 174.62 175.40 3pcc s ARG 31 N -4.78 1.70 0.17 3.99 0.52 -1.26 -5.01 118.95 114.27 3pcc s ARG 31 Ca 0.55 -1.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 3pcc s ARG 31 Cb -0.10 -2.40 0.09 0.00 0.52 0.00 0.00 34.95 33.06 3pcc s ARG 31 CO 0.39 -1.41 1.81 -0.44 0.02 0.00 0.00 175.30 175.67 3pcc h ASP 32 N -0.43 0.45 -3.12 0.23 3.32 -2.07 -3.40 116.42 111.40 3pcc h ASP 32 Ca -0.33 0.01 -0.61 0.00 0.02 0.00 0.00 57.03 56.11 3pcc h ASP 32 Cb 1.27 -0.09 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 3pcc h ASP 32 CO 0.38 0.32 -0.84 -1.10 -1.72 0.00 0.00 179.24 176.28 3pcc s GLN 33 N -6.14 2.43 0.07 3.56 -0.21 -1.26 -5.13 119.66 112.97 3pcc s GLN 33 Ca -0.13 -0.61 0.06 0.00 0.02 0.00 0.00 55.36 54.71 3pcc s GLN 33 Cb 0.13 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.93 3pcc s GLN 33 CO 0.73 -0.22 -0.18 -1.21 -2.12 0.00 0.00 175.29 172.30 3pcc s GLU 34 N 1.42 1.07 -0.35 2.91 0.41 -1.26 -5.12 118.70 117.77 3pcc s GLU 34 Ca 0.04 -0.96 -0.17 0.00 -0.41 0.00 0.00 54.97 53.48 3pcc s GLU 34 Cb -0.13 -1.17 -0.01 0.00 -1.78 0.00 0.00 34.13 31.04 3pcc s GLU 34 CO -0.11 0.28 0.46 0.42 -0.49 0.00 0.00 175.26 175.82 3pcc s ILE 35 N -1.02 5.07 0.00 -1.63 1.01 -1.26 -5.04 121.20 118.34 3pcc s ILE 35 Ca 0.04 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.90 3pcc s ILE 35 Cb -0.09 -3.92 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3pcc s ILE 35 CO 0.02 -0.18 0.00 1.87 0.00 0.00 0.00 174.94 176.65 3pcc n TRP 36 N 5.61 0.00 1.40 3.97 -0.00 -1.26 -4.64 117.44 122.51 3pcc n TRP 36 Ca -0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.50 57.47 3pcc n TRP 36 Cb 0.49 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.91 3pcc n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcc n ASN 37 N -0.45 1.02 -4.19 5.87 6.94 -0.45 -2.35 115.26 121.66 3pcc n ASN 37 Ca 0.00 -1.97 -0.40 0.00 -0.02 0.00 0.00 54.58 52.18 3pcc n ASN 37 Cb 0.00 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.23 3pcc n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcc s ARG 38 N -1.75 2.93 0.18 -3.83 6.06 -1.26 -1.13 118.95 120.14 3pcc s ARG 38 Ca 0.14 -2.46 0.01 0.00 -2.50 0.00 0.00 55.73 50.92 3pcc s ARG 38 Cb 0.07 -3.99 0.05 0.00 0.06 0.00 0.00 34.95 31.14 3pcc s ARG 38 CO 0.10 -1.22 1.41 -0.07 -2.50 0.00 0.00 175.30 173.03 3pcc h LEU 39 N 7.38 0.34 -8.52 -0.88 4.07 -1.10 -3.45 115.31 113.16 3pcc h LEU 39 Ca 0.01 -0.25 -0.68 0.00 0.08 0.00 0.00 57.88 57.04 3pcc h LEU 39 Cb 0.99 -0.10 -0.31 0.00 1.08 0.00 0.00 40.66 42.32 3pcc h LEU 39 CO 0.74 1.01 -0.88 0.00 -1.08 0.00 0.00 178.44 178.22 3pcc s ALA 40 N -3.41 2.11 0.43 1.53 0.00 -1.20 -0.60 121.76 120.60 3pcc s ALA 40 Ca -0.04 -1.05 -0.22 0.00 0.00 0.00 0.00 51.96 50.65 3pcc s ALA 40 Cb 0.10 -0.60 -0.10 0.00 0.00 0.00 0.00 23.12 22.52 3pcc s ALA 40 CO 0.83 0.46 0.97 0.15 0.00 0.00 0.00 175.76 178.17 3pcc s LYS 41 N -0.35 4.18 0.62 0.00 1.02 0.25 -4.83 119.74 120.62 3pcc s LYS 41 Ca 0.03 1.22 0.25 0.00 0.02 0.00 0.00 55.97 57.48 3pcc s LYS 41 Cb -0.12 -2.27 1.15 0.00 -0.52 0.00 0.00 37.83 36.08 3pcc s LYS 41 CO 0.01 -0.08 1.60 -1.35 -0.92 0.00 0.00 175.35 174.62 3pcc h PRO 42 N 2.04 0.00 -0.65 -1.68 0.11 -2.00 0.10 132.00 129.92 3pcc h PRO 42 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3pcc h PRO 42 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3pcc h PRO 42 CO 0.61 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.00 3pcc n ASP 43 N -3.26 4.26 -4.77 -2.05 5.75 -1.26 -4.94 116.55 110.27 3pcc n ASP 43 Ca 0.10 -2.35 -0.38 0.00 -0.01 0.00 0.00 54.79 52.15 3pcc n ASP 43 Cb 0.92 -0.54 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 3pcc n ASP 43 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcc s ALA 44 N -1.73 3.21 0.67 2.12 0.00 0.36 -5.02 121.76 121.37 3pcc s ALA 44 Ca 0.46 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 53.00 3pcc s ALA 44 Cb 0.29 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 20.15 3pcc s ALA 44 CO 0.23 -0.11 1.10 -1.25 0.00 0.00 0.00 175.76 175.73 3pcc s PRO 45 N -2.05 2.80 0.00 0.00 0.04 -1.26 -4.90 135.00 129.63 3pcc s PRO 45 Ca 0.52 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.86 3pcc s PRO 45 Cb -0.24 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3pcc s PRO 45 CO 0.31 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.52 3pcc n GLY 46 N -0.78 -2.51 3.55 0.56 0.00 -1.26 -4.64 105.19 100.11 3pcc n GLY 46 Ca 0.10 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.56 3pcc n GLY 46 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcc s GLU 47 N -0.52 3.45 0.08 1.61 2.12 -1.26 -4.97 118.70 119.21 3pcc s GLU 47 Ca 0.00 -0.05 -0.31 0.00 0.36 0.00 0.00 54.97 54.98 3pcc s GLU 47 Cb 0.00 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.39 3pcc s GLU 47 CO 0.00 -1.11 1.39 -1.01 -0.54 0.00 0.00 175.26 173.99 3pcc s HIS 48 N 3.33 3.14 0.09 5.30 3.76 -1.26 -1.40 115.29 128.23 3pcc s HIS 48 Ca 0.31 0.92 0.02 0.00 -0.15 0.00 0.00 55.06 56.16 3pcc s HIS 48 Cb -0.12 -3.67 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 3pcc s HIS 48 CO 0.23 -2.37 -0.08 0.96 -0.85 0.00 0.00 174.74 172.63 3pcc s ILE 49 N 1.46 0.72 -0.16 0.60 -4.36 -0.03 -4.62 121.20 114.82 3pcc s ILE 49 Ca 0.64 -1.68 -0.03 0.00 -0.26 0.00 0.00 60.65 59.33 3pcc s ILE 49 Cb -0.35 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 41.97 3pcc s ILE 49 CO 0.29 -0.69 -0.07 -0.22 0.24 0.00 0.00 174.94 174.50 3pcc s LEU 50 N -2.58 3.02 -0.03 0.37 2.96 -0.64 -2.05 118.68 119.72 3pcc s LEU 50 Ca 0.06 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3pcc s LEU 50 Cb -0.00 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 3pcc s LEU 50 CO -0.02 0.13 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.26 3pcc s LEU 51 N 0.56 2.91 0.04 -0.68 1.43 0.20 -1.28 118.68 121.86 3pcc s LEU 51 Ca -0.05 -0.18 -0.19 0.00 -1.03 0.00 0.00 54.13 52.69 3pcc s LEU 51 Cb -0.15 -1.64 0.04 0.00 0.03 0.00 0.00 46.19 44.47 3pcc s LEU 51 CO 0.03 0.32 0.43 -1.48 0.23 0.00 0.00 176.35 175.88 3pcc s LEU 52 N -1.00 0.33 -0.01 1.79 -0.00 -0.65 -1.10 118.68 118.04 3pcc s LEU 52 Ca 0.13 0.03 -0.29 0.00 -0.00 0.00 0.00 54.13 54.00 3pcc s LEU 52 Cb -0.11 1.80 0.11 0.00 -0.00 0.00 0.00 46.19 47.99 3pcc s LEU 52 CO 0.03 -0.67 1.28 -0.83 -0.00 0.00 0.00 176.35 176.16 3pcc s GLY 53 N -1.98 -0.31 0.14 -3.48 0.00 -1.04 -1.39 107.32 99.27 3pcc s GLY 53 Ca -0.05 0.46 0.07 0.00 0.00 0.00 0.00 44.72 45.19 3pcc s GLY 53 CO -0.02 1.80 -0.16 1.20 0.00 0.00 0.00 173.10 175.92 3pcc s GLN 54 N -2.30 1.15 -0.11 2.90 -0.21 -1.26 -1.52 119.66 118.32 3pcc s GLN 54 Ca 0.19 -1.33 0.03 0.00 0.02 0.00 0.00 55.36 54.26 3pcc s GLN 54 Cb 0.03 -1.12 -0.01 0.00 1.00 0.00 0.00 33.01 32.92 3pcc s GLN 54 CO -0.03 0.22 -0.20 0.08 -2.12 0.00 0.00 175.29 173.25 3pcc s VAL 55 N -2.12 2.44 0.09 1.09 1.01 -1.26 -0.92 120.40 120.73 3pcc s VAL 55 Ca 0.13 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.31 3pcc s VAL 55 Cb -0.05 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3pcc s VAL 55 CO 0.05 0.55 -0.19 -0.31 0.00 0.00 0.00 175.10 175.19 3pcc s TYR 56 N 0.30 2.51 0.78 5.22 2.02 0.20 -1.07 117.35 127.30 3pcc s TYR 56 Ca -0.15 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.24 3pcc s TYR 56 Cb -0.17 -1.38 0.15 0.00 -0.40 0.00 0.00 41.96 40.16 3pcc s TYR 56 CO 0.07 0.32 1.07 0.16 -1.57 0.00 0.00 175.55 175.60 3pcc s ASP 57 N -1.83 4.01 0.25 2.29 1.47 0.40 -2.05 116.67 121.21 3pcc s ASP 57 Ca 0.16 -0.34 0.19 0.00 1.18 0.00 0.00 52.55 53.73 3pcc s ASP 57 Cb -0.10 0.09 0.94 0.00 -0.34 0.00 0.00 42.92 43.50 3pcc s ASP 57 CO 0.07 -2.10 1.57 0.61 0.68 0.00 0.00 175.17 176.00 3pcc n GLY 58 N -3.04 -0.91 0.93 2.12 0.00 -1.26 -1.26 105.19 101.77 3pcc n GLY 58 Ca 0.16 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.42 3pcc n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcc n ASN 59 N -2.11 2.99 -0.01 1.61 3.02 -1.26 -4.76 115.26 114.74 3pcc n ASN 59 Ca -0.00 -1.91 -0.00 0.00 -0.03 0.00 0.00 54.58 52.64 3pcc n ASN 59 Cb 0.08 -0.10 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 3pcc n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcc n GLY 60 N 1.24 0.38 3.88 7.41 0.00 -0.39 -5.05 105.19 112.67 3pcc n GLY 60 Ca 0.15 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.78 3pcc n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcc s HIS 61 N -2.01 3.60 0.37 1.61 3.76 -1.26 -4.78 115.29 116.58 3pcc s HIS 61 Ca 0.00 0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 55.20 3pcc s HIS 61 Cb 0.00 -1.98 -0.11 0.00 1.11 0.00 0.00 32.58 31.60 3pcc s HIS 61 CO 0.00 0.66 1.46 -0.51 -0.85 0.00 0.00 174.74 175.50 3pcc s LEU 62 N -1.50 4.34 -0.44 0.89 1.43 -1.26 -0.45 118.68 121.69 3pcc s LEU 62 Ca 0.23 2.99 -0.16 0.00 -1.03 0.00 0.00 54.13 56.17 3pcc s LEU 62 Cb -0.13 -3.66 0.04 0.00 0.03 0.00 0.00 46.19 42.47 3pcc s LEU 62 CO 0.13 -0.82 0.36 -0.69 0.23 0.00 0.00 176.35 175.55 3pcc s VAL 63 N -1.07 5.22 -1.95 -1.59 1.01 -0.24 -4.82 120.40 116.96 3pcc s VAL 63 Ca 0.53 -0.77 0.20 0.00 0.00 0.00 0.00 61.98 61.93 3pcc s VAL 63 Cb -0.45 -4.03 0.58 0.00 0.00 0.00 0.00 36.38 32.48 3pcc s VAL 63 CO 0.61 -0.44 1.48 0.54 0.00 0.00 0.00 175.10 177.29 3pcc n ARG 64 N 5.26 2.57 -0.45 2.72 1.74 -1.26 -4.19 116.66 123.05 3pcc n ARG 64 Ca -0.11 -2.36 0.07 0.00 -0.77 0.00 0.00 57.85 54.68 3pcc n ARG 64 Cb 0.46 -1.53 0.15 0.00 -1.02 0.00 0.00 32.46 30.52 3pcc n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcc n ASP 65 N 1.39 1.77 -4.85 0.55 5.68 -1.26 -3.74 116.55 116.09 3pcc n ASP 65 Ca 0.22 -3.24 -0.32 0.00 -0.50 0.00 0.00 54.79 50.95 3pcc n ASP 65 Cb 0.57 -0.44 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 3pcc n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcc s SER 66 N -2.79 6.67 -0.09 -1.12 1.04 -1.26 -4.59 113.70 111.55 3pcc s SER 66 Ca 0.32 1.40 0.02 0.00 0.48 0.00 0.00 55.95 58.17 3pcc s SER 66 Cb 0.30 -2.43 0.01 0.00 0.10 0.00 0.00 66.02 64.00 3pcc s SER 66 CO -0.03 -0.43 -0.15 0.12 0.98 0.00 0.00 173.24 173.73 3pcc s PHE 67 N -2.37 1.78 0.11 5.02 5.36 -0.20 -1.82 117.98 125.86 3pcc s PHE 67 Ca 0.56 -0.74 0.10 0.00 -0.96 0.00 0.00 56.93 55.89 3pcc s PHE 67 Cb -0.10 -1.28 -0.04 0.00 -0.34 0.00 0.00 43.02 41.26 3pcc s PHE 67 CO 0.26 -0.37 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.89 3pcc s LEU 68 N 0.77 2.29 -0.04 6.12 1.02 -0.29 -0.33 118.68 128.22 3pcc s LEU 68 Ca -0.12 -0.70 0.02 0.00 0.02 0.00 0.00 54.13 53.35 3pcc s LEU 68 Cb -0.16 -1.12 0.01 0.00 0.02 0.00 0.00 46.19 44.95 3pcc s LEU 68 CO 0.02 0.15 -0.09 -1.61 0.02 0.00 0.00 176.35 174.85 3pcc s GLU 69 N -1.89 1.11 0.16 1.70 2.02 -0.86 -1.36 118.70 119.58 3pcc s GLU 69 Ca 0.11 -0.28 0.11 0.00 0.02 0.00 0.00 54.97 54.93 3pcc s GLU 69 Cb -0.10 -1.01 -0.04 0.00 0.10 0.00 0.00 34.13 33.08 3pcc s GLU 69 CO 0.05 0.04 -0.24 0.14 0.02 0.00 0.00 175.26 175.27 3pcc s VAL 70 N 0.52 2.19 -0.17 2.63 -7.23 -0.43 -1.37 120.40 116.55 3pcc s VAL 70 Ca -0.09 -1.87 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 3pcc s VAL 70 Cb -0.12 -1.99 0.08 0.00 0.56 0.00 0.00 36.38 34.91 3pcc s VAL 70 CO 0.01 -0.06 0.29 0.86 -0.31 0.00 0.00 175.10 175.89 3pcc s TRP 71 N -1.45 -0.51 0.07 2.82 -0.11 -0.64 -1.58 118.94 117.53 3pcc s TRP 71 Ca 0.16 0.92 -0.08 0.00 1.22 0.00 0.00 56.10 58.33 3pcc s TRP 71 Cb -0.09 -0.03 -0.01 0.00 -1.50 0.00 0.00 33.47 31.85 3pcc s TRP 71 CO 0.08 -0.46 0.15 1.14 -4.62 0.00 0.00 176.95 173.24 3pcc s GLN 72 N 2.45 0.75 0.71 5.86 -2.07 -0.61 -1.43 119.66 125.32 3pcc s GLN 72 Ca 0.03 -0.89 -0.11 0.00 -1.82 0.00 0.00 55.36 52.57 3pcc s GLN 72 Cb -0.13 0.30 0.02 0.00 -1.09 0.00 0.00 33.01 32.11 3pcc s GLN 72 CO -0.11 -0.22 1.09 0.00 -1.32 0.00 0.00 175.29 174.74 3pcc s ALA 73 N -3.43 2.83 1.02 2.60 0.00 -1.26 -4.48 121.76 119.04 3pcc s ALA 73 Ca 0.02 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 3pcc s ALA 73 Cb 0.03 -3.04 0.08 0.00 0.00 0.00 0.00 23.12 20.18 3pcc s ALA 73 CO -0.09 -1.17 0.38 -0.40 0.00 0.00 0.00 175.76 174.49 3pcc n ASP 74 N -3.04 -0.36 0.28 0.00 5.68 0.17 -4.30 116.55 114.98 3pcc n ASP 74 Ca 0.07 -1.02 0.16 0.00 -0.50 0.00 0.00 54.79 53.50 3pcc n ASP 74 Cb 0.57 -0.31 0.81 0.00 -1.14 0.00 0.00 41.12 41.05 3pcc n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcc h ALA 75 N -2.02 1.11 -0.12 2.12 0.00 -1.82 0.85 119.26 119.38 3pcc h ALA 75 Ca -0.13 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3pcc h ALA 75 Cb 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3pcc h ALA 75 CO 0.09 0.08 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3pcc n ASN 76 N -3.33 1.41 -0.03 0.00 3.02 -1.26 -3.86 115.26 111.21 3pcc n ASN 76 Ca -0.01 -1.63 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 3pcc n ASN 76 Cb 0.23 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3pcc n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcc n GLY 77 N 1.09 0.57 3.28 7.41 0.00 -0.83 -4.81 105.19 111.89 3pcc n GLY 77 Ca 0.16 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 3pcc n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcc s GLU 78 N -3.75 2.56 -0.31 1.61 2.02 -1.26 -4.73 118.70 114.84 3pcc s GLU 78 Ca 0.00 -0.90 -0.23 0.00 0.02 0.00 0.00 54.97 53.87 3pcc s GLU 78 Cb 0.00 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 3pcc s GLU 78 CO 0.00 0.39 0.76 0.71 0.02 0.00 0.00 175.26 177.14 3pcc s TYR 79 N -0.18 3.20 -0.68 1.61 2.02 -1.26 0.46 117.35 122.52 3pcc s TYR 79 Ca -0.03 0.76 -0.15 0.00 -0.37 0.00 0.00 57.07 57.28 3pcc s TYR 79 Cb -0.14 -3.18 0.17 0.00 -0.40 0.00 0.00 41.96 38.41 3pcc s TYR 79 CO 0.03 -0.55 0.64 -0.65 -1.57 0.00 0.00 175.55 173.45 3pcc s GLN 80 N 2.89 3.28 0.20 -0.62 -1.52 -1.26 -4.92 119.66 117.72 3pcc s GLN 80 Ca 0.31 -2.05 0.24 0.00 -1.95 0.00 0.00 55.36 51.91 3pcc s GLN 80 Cb -0.14 -4.37 0.43 0.00 -0.22 0.00 0.00 33.01 28.71 3pcc s GLN 80 CO 0.12 -1.32 1.45 0.38 -0.25 0.00 0.00 175.29 175.67 3pcc h ASP 81 N 8.38 0.00 -2.38 5.90 2.03 -1.97 -3.25 116.42 125.13 3pcc h ASP 81 Ca -0.11 -0.10 -0.61 0.00 -0.73 0.00 0.00 57.03 55.49 3pcc h ASP 81 Cb 1.07 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.45 3pcc h ASP 81 CO 0.91 0.05 0.82 0.00 -1.03 0.00 0.00 179.24 179.99 3pcc s ALA 82 N -3.18 3.00 -0.06 4.15 0.00 -1.26 -4.97 121.76 119.44 3pcc s ALA 82 Ca 0.07 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.86 3pcc s ALA 82 Cb 0.11 -4.07 -0.04 0.00 0.00 0.00 0.00 23.12 19.13 3pcc s ALA 82 CO 0.69 -3.03 1.37 -0.47 0.00 0.00 0.00 175.76 174.31 3pcc s TYR 83 N 4.47 2.79 -0.20 0.00 5.04 -1.26 -5.00 117.35 123.18 3pcc s TYR 83 Ca 0.29 0.85 -0.10 0.00 -2.44 0.00 0.00 57.07 55.67 3pcc s TYR 83 Cb -0.11 -3.62 0.07 0.00 0.35 0.00 0.00 41.96 38.66 3pcc s TYR 83 CO 0.07 -2.25 0.48 1.21 -1.34 0.00 0.00 175.55 173.72 3pcc s ASN 84 N 2.04 -0.58 0.33 4.32 3.84 -1.26 -5.04 114.94 118.59 3pcc s ASN 84 Ca 0.61 1.07 0.24 0.00 0.21 0.00 0.00 52.86 55.00 3pcc s ASN 84 Cb -0.28 1.10 1.22 0.00 -0.55 0.00 0.00 41.25 42.73 3pcc s ASN 84 CO 0.23 -0.21 1.72 -0.07 -2.79 0.00 0.00 177.10 175.98 3pcc h LEU 85 N 7.37 0.00 -0.02 3.21 3.38 -1.96 -1.94 115.31 125.34 3pcc h LEU 85 Ca -0.30 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 3pcc h LEU 85 Cb 1.17 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.90 3pcc h LEU 85 CO 0.22 0.00 -0.80 -0.33 0.09 0.00 0.00 178.44 177.62 3pcc h GLU 86 N 0.00 0.00 -7.11 1.13 5.08 -2.00 -3.47 114.58 108.22 3pcc h GLU 86 Ca 0.00 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.81 3pcc h GLU 86 Cb 0.08 0.00 0.15 0.00 0.50 0.00 0.00 28.75 29.48 3pcc h GLU 86 CO 0.00 0.80 0.51 -0.80 -1.00 0.00 0.00 179.01 178.52 3pcc s ASN 87 N -6.61 4.67 0.44 1.42 0.01 -0.73 -4.91 114.94 109.23 3pcc s ASN 87 Ca 0.02 2.58 0.24 0.00 -0.71 0.00 0.00 52.86 55.00 3pcc s ASN 87 Cb 0.09 -2.62 0.64 0.00 0.41 0.00 0.00 41.25 39.77 3pcc s ASN 87 CO 0.79 -1.96 1.71 0.00 -1.51 0.00 0.00 177.10 176.13 3pcc h ALA 88 N 0.57 0.95 -3.06 0.60 0.00 -1.90 -3.44 119.26 112.97 3pcc h ALA 88 Ca -0.51 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.12 3pcc h ALA 88 Cb 1.33 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.82 3pcc h ALA 88 CO 0.53 0.14 -0.45 0.12 0.00 0.00 0.00 179.25 179.59 3pcc s PHE 89 N -3.35 -0.31 -0.06 0.00 5.36 -1.26 0.84 117.98 119.20 3pcc s PHE 89 Ca 0.04 0.74 0.04 0.00 -0.96 0.00 0.00 56.93 56.79 3pcc s PHE 89 Cb 0.07 0.07 0.00 0.00 -0.34 0.00 0.00 43.02 42.83 3pcc s PHE 89 CO 0.65 -0.19 -0.17 -0.80 -1.46 0.00 0.00 175.22 173.25 3pcc s ASN 90 N 0.76 2.22 0.36 6.13 0.01 0.23 -4.97 114.94 119.66 3pcc s ASN 90 Ca -0.05 -0.38 0.16 0.00 -0.71 0.00 0.00 52.86 51.89 3pcc s ASN 90 Cb -0.06 -0.83 0.65 0.00 0.41 0.00 0.00 41.25 41.41 3pcc s ASN 90 CO -0.05 0.12 1.73 0.28 -1.51 0.00 0.00 177.10 177.67 3pcc h SER 91 N 6.57 0.00 -2.99 -1.22 0.02 -1.78 -3.44 113.55 110.71 3pcc h SER 91 Ca -0.29 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.98 3pcc h SER 91 Cb 1.19 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.62 3pcc h SER 91 CO 0.48 0.42 -0.55 0.12 -1.14 0.00 0.00 176.83 176.15 3pcc s PHE 92 N -3.71 3.37 0.21 3.45 5.36 -1.26 -1.58 117.98 123.82 3pcc s PHE 92 Ca -0.01 0.35 -0.12 0.00 -0.96 0.00 0.00 56.93 56.20 3pcc s PHE 92 Cb 0.12 -1.85 -0.00 0.00 -0.34 0.00 0.00 43.02 40.94 3pcc s PHE 92 CO 0.70 0.60 0.40 0.20 -1.46 0.00 0.00 175.22 175.66 3pcc s GLY 93 N -1.01 0.46 0.02 13.12 0.00 -0.62 -4.87 107.32 114.42 3pcc s GLY 93 Ca 0.15 -0.82 0.02 0.00 0.00 0.00 0.00 44.72 44.07 3pcc s GLY 93 CO 0.04 -0.68 -0.06 0.50 0.00 0.00 0.00 173.10 172.90 3pcc s ARG 94 N -3.98 0.43 0.25 2.90 0.52 -0.99 -1.31 118.95 116.77 3pcc s ARG 94 Ca 0.19 -0.46 -0.13 0.00 -0.52 0.00 0.00 55.73 54.80 3pcc s ARG 94 Cb 0.01 -0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.19 3pcc s ARG 94 CO 0.04 0.06 0.49 -0.08 0.02 0.00 0.00 175.30 175.84 3pcc s THR 95 N -0.79 0.00 0.19 0.02 -1.32 -0.46 -1.34 115.64 111.94 3pcc s THR 95 Ca -0.05 -1.37 -0.15 0.00 -1.21 0.00 0.00 61.69 58.91 3pcc s THR 95 Cb -0.06 -2.18 0.02 0.00 -1.51 0.00 0.00 72.50 68.77 3pcc s THR 95 CO 0.00 -0.00 0.46 0.00 -2.21 0.00 0.00 174.62 172.87 3pcc s ALA 96 N -4.01 -0.69 -0.07 11.08 0.00 -1.26 -1.13 121.76 125.68 3pcc s ALA 96 Ca 0.21 -0.40 -0.09 0.00 0.00 0.00 0.00 51.96 51.69 3pcc s ALA 96 Cb -0.01 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 3pcc s ALA 96 CO 0.09 -0.76 0.23 0.95 0.00 0.00 0.00 175.76 176.26 3pcc s THR 97 N -3.90 5.35 0.21 0.00 -4.23 -0.76 -4.19 115.64 108.13 3pcc s THR 97 Ca 0.11 0.35 -0.32 0.00 -1.18 0.00 0.00 61.69 60.65 3pcc s THR 97 Cb 0.00 -3.51 -0.12 0.00 1.34 0.00 0.00 72.50 70.21 3pcc s THR 97 CO -0.02 0.56 1.71 0.42 -0.54 0.00 0.00 174.62 176.75 3pcc s THR 98 N -1.10 2.04 0.57 3.99 -4.23 -1.03 -4.54 115.64 111.34 3pcc s THR 98 Ca 0.20 0.03 0.27 0.00 -1.18 0.00 0.00 61.69 61.00 3pcc s THR 98 Cb -0.13 -3.02 0.35 0.00 1.34 0.00 0.00 72.50 71.04 3pcc s THR 98 CO 0.09 0.00 2.15 -0.26 -0.54 0.00 0.00 174.62 176.06 3pcc h PHE 99 N 6.71 0.00 0.00 3.99 0.04 -1.94 0.56 116.94 126.29 3pcc h PHE 99 Ca -0.43 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.34 3pcc h PHE 99 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 3pcc h PHE 99 CO 0.64 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.95 3pcc n ASP 100 N -3.97 0.00 -0.30 2.17 5.75 -1.26 -4.72 116.55 114.23 3pcc n ASP 100 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 54.79 54.83 3pcc n ASP 100 Cb 0.24 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.53 3pcc n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcc h ALA 101 N -2.00 1.24 -0.22 2.12 0.00 -1.97 -3.47 119.26 114.95 3pcc h ALA 101 Ca 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3pcc h ALA 101 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3pcc h ALA 101 CO 0.00 0.02 -0.04 0.41 0.00 0.00 0.00 179.25 179.64 3pcc n GLY 102 N -1.32 0.34 3.34 0.00 0.00 0.19 -4.91 105.19 102.83 3pcc n GLY 102 Ca 0.15 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 3pcc n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcc s GLU 103 N -3.67 2.01 0.22 1.61 2.12 -1.26 -4.30 118.70 115.43 3pcc s GLU 103 Ca 0.00 -0.99 0.09 0.00 0.36 0.00 0.00 54.97 54.43 3pcc s GLU 103 Cb 0.00 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.31 3pcc s GLU 103 CO 0.00 0.54 -0.01 1.67 -0.54 0.00 0.00 175.26 176.92 3pcc s TRP 104 N -0.70 2.74 0.03 5.30 1.48 -0.57 -2.47 118.94 124.74 3pcc s TRP 104 Ca 0.11 -0.20 -0.03 0.00 -1.06 0.00 0.00 56.10 54.92 3pcc s TRP 104 Cb -0.10 -1.27 -0.02 0.00 -1.16 0.00 0.00 33.47 30.92 3pcc s TRP 104 CO 0.01 0.57 0.04 0.95 -4.06 0.00 0.00 176.95 174.46 3pcc s THR 105 N -2.04 0.14 -0.05 0.66 -4.23 -1.26 -2.48 115.64 106.38 3pcc s THR 105 Ca 0.29 -1.15 -0.08 0.00 -1.18 0.00 0.00 61.69 59.58 3pcc s THR 105 Cb -0.08 -0.81 0.01 0.00 1.34 0.00 0.00 72.50 72.97 3pcc s THR 105 CO 0.19 -0.63 0.19 -0.22 -0.54 0.00 0.00 174.62 173.61 3pcc s LEU 106 N -2.05 1.30 -0.28 4.79 2.96 -0.26 -4.84 118.68 120.30 3pcc s LEU 106 Ca -0.06 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3pcc s LEU 106 Cb -0.02 0.72 0.05 0.00 0.50 0.00 0.00 46.19 47.43 3pcc s LEU 106 CO -0.04 -0.17 -0.05 -1.00 -1.32 0.00 0.00 176.35 173.77 3pcc s HIS 107 N -0.38 3.22 0.00 5.38 3.76 -0.29 -0.63 115.29 126.35 3pcc s HIS 107 Ca -0.05 -1.94 0.00 0.00 -0.15 0.00 0.00 55.06 52.92 3pcc s HIS 107 Cb -0.03 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.61 3pcc s HIS 107 CO 0.01 -0.81 0.00 -2.37 -0.85 0.00 0.00 174.74 170.72 3pcc n THR 108 N 4.58 0.00 -4.39 1.30 5.66 -0.87 -0.55 114.28 120.01 3pcc n THR 108 Ca -0.14 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.65 3pcc n THR 108 Cb 0.44 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.12 3pcc n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcc s VAL 109 N -2.06 2.02 -0.01 1.08 -7.23 -1.26 -0.85 120.40 112.09 3pcc s VAL 109 Ca 0.00 -2.25 -0.30 0.00 -1.81 0.00 0.00 61.98 57.62 3pcc s VAL 109 Cb 0.00 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 3pcc s VAL 109 CO 0.00 -0.49 1.19 -0.75 -0.31 0.00 0.00 175.10 174.73 3pcc s LYS 110 N -3.50 4.39 0.38 4.82 2.20 -0.49 -4.87 119.74 122.67 3pcc s LYS 110 Ca 0.24 1.69 -0.27 0.00 -0.36 0.00 0.00 55.97 57.28 3pcc s LYS 110 Cb -0.03 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.73 3pcc s LYS 110 CO 0.10 -0.35 1.26 -1.25 -0.36 0.00 0.00 175.35 174.74 3pcc s PRO 111 N 1.71 4.12 0.84 4.03 0.04 -1.26 -4.13 135.00 140.34 3pcc s PRO 111 Ca 0.57 2.06 -0.12 0.00 0.04 0.00 0.00 61.00 63.55 3pcc s PRO 111 Cb -0.26 -2.83 0.10 0.00 0.04 0.00 0.00 34.50 31.55 3pcc s PRO 111 CO 0.25 -0.34 1.18 0.20 0.04 0.00 0.00 177.00 178.34 3pcc s GLY 112 N -0.80 1.60 0.12 0.56 0.00 0.23 -4.73 107.32 104.31 3pcc s GLY 112 Ca 0.54 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 44.30 3pcc s GLY 112 CO 0.47 -0.15 0.91 0.14 0.00 0.00 0.00 173.10 174.47 3pcc s VAL 113 N -3.55 4.47 0.16 1.40 1.01 -1.26 -4.46 120.40 118.17 3pcc s VAL 113 Ca 0.63 1.98 0.09 0.00 0.00 0.00 0.00 61.98 64.68 3pcc s VAL 113 Cb -0.11 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 3pcc s VAL 113 CO 0.50 0.36 -0.21 0.68 0.00 0.00 0.00 175.10 176.44 3pcc s VAL 114 N -0.25 1.98 0.17 2.92 -7.23 -1.26 -4.54 120.40 112.20 3pcc s VAL 114 Ca 0.44 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3pcc s VAL 114 Cb -0.23 -1.90 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3pcc s VAL 114 CO 0.29 -0.21 0.34 0.20 -0.31 0.00 0.00 175.10 175.41 3pcc s ASN 115 N -2.55 6.38 0.85 4.85 0.01 -1.26 -0.27 114.94 122.95 3pcc s ASN 115 Ca 0.16 0.34 -0.08 0.00 -0.71 0.00 0.00 52.86 52.58 3pcc s ASN 115 Cb -0.07 -1.99 0.17 0.00 0.41 0.00 0.00 41.25 39.77 3pcc s ASN 115 CO 0.07 0.01 1.05 -0.46 -1.51 0.00 0.00 177.10 176.27 3pcc n ASN 116 N -0.47 0.65 0.10 -1.22 0.23 0.97 -4.88 115.26 110.64 3pcc n ASN 116 Ca -0.05 -1.73 0.11 0.00 -0.53 0.00 0.00 54.58 52.38 3pcc n ASN 116 Cb 0.53 -0.75 0.60 0.00 -2.08 0.00 0.00 39.78 38.08 3pcc n ASN 116 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3pcc h ALA 117 N -1.21 2.10 -0.03 -2.53 0.00 -1.99 -0.73 119.26 114.86 3pcc h ALA 117 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3pcc h ALA 117 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3pcc h ALA 117 CO 0.30 -0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.38 3pcc n ALA 118 N -2.56 2.61 -0.68 0.00 0.00 -1.26 -4.89 120.51 113.74 3pcc n ALA 118 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.20 3pcc n ALA 118 Cb 0.27 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3pcc n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcc n GLY 119 N 0.98 0.67 3.71 0.00 0.00 -0.28 -5.05 105.19 105.22 3pcc n GLY 119 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3pcc n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcc s VAL 120 N -2.10 5.24 0.28 1.61 1.01 -1.26 -4.76 120.40 120.43 3pcc s VAL 120 Ca 0.00 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 62.41 3pcc s VAL 120 Cb 0.00 -3.72 -0.10 0.00 0.00 0.00 0.00 36.38 32.56 3pcc s VAL 120 CO 0.00 0.33 1.32 -2.16 0.00 0.00 0.00 175.10 174.60 3pcc s PRO 121 N 0.73 4.36 0.17 2.72 0.04 -1.26 -0.02 135.00 141.74 3pcc s PRO 121 Ca 0.20 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.43 3pcc s PRO 121 Cb -0.14 -3.11 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 3pcc s PRO 121 CO 0.07 -0.23 0.34 -1.64 0.04 0.00 0.00 177.00 175.58 3pcc s MET 122 N -1.14 3.48 0.60 4.56 -1.94 0.63 -4.52 119.30 120.98 3pcc s MET 122 Ca 0.52 -0.45 -0.16 0.00 -1.71 0.00 0.00 55.69 53.89 3pcc s MET 122 Cb -0.39 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.52 3pcc s MET 122 CO 0.47 0.46 1.08 0.00 -0.01 0.00 0.00 175.02 177.03 3pcc s ALA 123 N -1.80 2.65 0.16 3.03 0.00 -1.26 -4.16 121.76 120.39 3pcc s ALA 123 Ca 0.37 0.51 -0.34 0.00 0.00 0.00 0.00 51.96 52.50 3pcc s ALA 123 Cb -0.11 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.58 3pcc s ALA 123 CO 0.29 -0.94 1.37 -2.30 0.00 0.00 0.00 175.76 174.18 3pcc n PRO 124 N -2.02 1.61 -3.48 0.00 -0.02 -1.26 -4.89 135.00 124.95 3pcc n PRO 124 Ca 0.10 0.58 -0.12 0.00 -2.02 0.00 0.00 63.50 62.03 3pcc n PRO 124 Cb 0.52 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.76 3pcc n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcc s HIS 125 N 0.27 -0.48 -0.10 6.00 -3.43 -1.26 -4.28 115.29 112.01 3pcc s HIS 125 Ca 0.76 0.31 0.03 0.00 -0.80 0.00 0.00 55.06 55.36 3pcc s HIS 125 Cb -0.79 0.48 -0.01 0.00 -1.43 0.00 0.00 32.58 30.84 3pcc s HIS 125 CO 0.47 -0.79 -0.20 0.42 -2.00 0.00 0.00 174.74 172.64 3pcc s ILE 126 N -3.50 2.44 -0.14 -5.38 1.01 -0.48 -4.62 121.20 110.53 3pcc s ILE 126 Ca 0.00 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 59.52 3pcc s ILE 126 Cb -0.00 -1.96 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3pcc s ILE 126 CO -0.10 0.55 0.77 0.20 0.00 0.00 0.00 174.94 176.36 3pcc s ASN 127 N 0.22 6.94 0.01 3.58 0.01 -0.51 -0.43 114.94 124.76 3pcc s ASN 127 Ca -0.13 1.15 0.08 0.00 -0.71 0.00 0.00 52.86 53.25 3pcc s ASN 127 Cb -0.16 -2.43 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 3pcc s ASN 127 CO 0.07 -0.30 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.48 3pcc s ILE 128 N 1.73 1.94 -0.12 0.60 1.01 -0.09 -1.63 121.20 124.64 3pcc s ILE 128 Ca 0.37 -1.16 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3pcc s ILE 128 Cb -0.17 -1.63 0.02 0.00 0.01 0.00 0.00 42.46 40.69 3pcc s ILE 128 CO 0.14 0.44 -0.14 -0.44 0.00 0.00 0.00 174.94 174.94 3pcc s SER 129 N -0.86 2.50 -0.17 3.58 0.01 -0.47 -0.80 113.70 117.49 3pcc s SER 129 Ca 0.10 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 56.87 3pcc s SER 129 Cb -0.09 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.01 3pcc s SER 129 CO 0.00 -0.02 0.01 -0.22 0.41 0.00 0.00 173.24 173.42 3pcc s LEU 130 N 1.24 3.48 0.10 2.44 2.96 0.10 -2.02 118.68 126.98 3pcc s LEU 130 Ca -0.01 -0.06 0.07 0.00 -0.22 0.00 0.00 54.13 53.91 3pcc s LEU 130 Cb -0.14 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 3pcc s LEU 130 CO -0.06 0.15 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.59 3pcc s PHE 131 N 0.47 1.56 0.00 5.38 0.40 0.55 -2.11 117.98 124.23 3pcc s PHE 131 Ca -0.00 -0.45 0.00 0.00 -0.60 0.00 0.00 56.93 55.87 3pcc s PHE 131 Cb -0.14 -0.85 0.00 0.00 0.51 0.00 0.00 43.02 42.55 3pcc s PHE 131 CO 0.02 0.16 0.00 0.00 0.70 0.00 0.00 175.22 176.10 3pcc n ALA 132 N 0.99 0.00 -1.77 5.36 0.00 -1.26 -1.04 120.51 122.80 3pcc n ALA 132 Ca -0.19 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.85 3pcc n ALA 132 Cb 0.55 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.01 3pcc n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcc s ARG 133 N -2.00 3.75 0.00 0.00 1.70 -1.25 -1.47 118.95 119.68 3pcc s ARG 133 Ca 0.00 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 57.61 3pcc s ARG 133 Cb 0.00 -2.68 0.00 0.00 -0.57 0.00 0.00 34.95 31.70 3pcc s ARG 133 CO 0.00 -0.74 0.00 0.41 -1.08 0.00 0.00 175.30 173.89 3pcc n GLY 134 N 0.60 1.85 3.33 3.88 0.00 -1.26 -4.97 105.19 108.62 3pcc n GLY 134 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3pcc n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcc s ILE 135 N -2.58 4.56 0.14 -0.61 1.01 -0.54 -4.97 121.20 118.21 3pcc s ILE 135 Ca 0.00 -1.14 -0.13 0.00 0.00 0.00 0.00 60.65 59.39 3pcc s ILE 135 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3pcc s ILE 135 CO 0.00 -0.43 1.56 0.78 0.00 0.00 0.00 174.94 176.85 3pcc h ASN 136 N 8.49 0.86 -3.56 3.58 2.35 -1.90 -3.34 115.58 122.05 3pcc h ASN 136 Ca -0.25 -0.35 -0.37 0.00 -0.55 0.00 0.00 56.30 54.77 3pcc h ASN 136 Cb 1.10 -0.23 -0.33 0.00 0.05 0.00 0.00 38.32 38.90 3pcc h ASN 136 CO 0.75 1.01 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.27 3pcc s ILE 137 N -4.83 0.41 0.56 2.81 2.07 -1.26 -3.21 121.20 117.75 3pcc s ILE 137 Ca -0.12 -0.09 -0.20 0.00 -1.41 0.00 0.00 60.65 58.83 3pcc s ILE 137 Cb 0.11 -0.44 -0.06 0.00 0.13 0.00 0.00 42.46 42.20 3pcc s ILE 137 CO 0.83 0.18 0.92 0.00 -1.91 0.00 0.00 174.94 174.97 3pcc n HIS 138 N 3.84 0.72 -3.64 3.50 1.44 -1.26 -4.99 115.22 114.83 3pcc n HIS 138 Ca -0.24 0.46 -0.36 0.00 -2.01 0.00 0.00 57.72 55.58 3pcc n HIS 138 Cb 0.52 -2.14 -0.08 0.00 0.12 0.00 0.00 29.99 28.42 3pcc n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcc s LEU 139 N -1.38 4.22 -0.13 2.39 1.43 -0.90 -4.91 118.68 119.40 3pcc s LEU 139 Ca 0.72 0.35 -0.10 0.00 -1.03 0.00 0.00 54.13 54.08 3pcc s LEU 139 Cb -0.45 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.51 3pcc s LEU 139 CO 0.50 0.14 0.19 -1.00 0.23 0.00 0.00 176.35 176.41 3pcc s HIS 140 N 0.44 3.56 0.31 0.29 3.76 -1.26 -0.72 115.29 121.67 3pcc s HIS 140 Ca 0.12 0.56 -0.06 0.00 -0.15 0.00 0.00 55.06 55.52 3pcc s HIS 140 Cb -0.12 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3pcc s HIS 140 CO 0.01 0.57 0.47 -0.08 -0.85 0.00 0.00 174.74 174.86 3pcc s THR 141 N -0.56 0.00 0.03 1.30 -1.32 0.02 -0.53 115.64 114.58 3pcc s THR 141 Ca 0.15 -1.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.14 3pcc s THR 141 Cb -0.13 -2.52 -0.02 0.00 -1.51 0.00 0.00 72.50 68.33 3pcc s THR 141 CO 0.04 0.00 -0.12 -0.13 -2.21 0.00 0.00 174.62 172.20 3pcc s ARG 142 N -3.36 0.82 -0.22 7.08 0.52 -1.26 -0.91 118.95 121.62 3pcc s ARG 142 Ca 0.28 -0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 3pcc s ARG 142 Cb -0.00 -0.79 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 3pcc s ARG 142 CO 0.16 0.20 0.01 -1.17 0.02 0.00 0.00 175.30 174.51 3pcc s LEU 143 N -0.96 3.23 0.43 2.53 0.20 0.43 -4.77 118.68 119.77 3pcc s LEU 143 Ca 0.00 -0.24 0.07 0.00 0.69 0.00 0.00 54.13 54.65 3pcc s LEU 143 Cb -0.07 -1.83 -0.05 0.00 -0.43 0.00 0.00 46.19 43.81 3pcc s LEU 143 CO 0.01 0.02 0.16 -0.31 -0.29 0.00 0.00 176.35 175.94 3pcc s TYR 144 N 1.24 2.48 -0.08 5.38 1.51 0.13 -1.39 117.35 126.62 3pcc s TYR 144 Ca 0.04 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.49 3pcc s TYR 144 Cb -0.15 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 39.78 3pcc s TYR 144 CO 0.01 0.18 -0.21 -0.06 -1.11 0.00 0.00 175.55 174.37 3pcc s PHE 145 N -2.65 2.58 0.57 2.71 0.40 -1.26 -0.28 117.98 120.05 3pcc s PHE 145 Ca 0.37 -0.69 0.25 0.00 -0.60 0.00 0.00 56.93 56.27 3pcc s PHE 145 Cb 0.04 -1.68 1.61 0.00 0.51 0.00 0.00 43.02 43.50 3pcc s PHE 145 CO 0.20 -0.20 2.18 0.38 0.70 0.00 0.00 175.22 178.49 3pcc h ASP 146 N 6.22 0.00 -0.23 1.36 2.03 -1.53 -1.37 116.42 122.90 3pcc h ASP 146 Ca -0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.00 3pcc h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pcc h ASP 146 CO 0.49 0.00 0.00 -0.90 -1.03 0.00 0.00 179.24 177.80 3pcc n ASP 147 N -4.07 1.27 -1.28 4.15 5.68 -1.26 -3.72 116.55 117.32 3pcc n ASP 147 Ca -0.01 -1.99 -0.08 0.00 -0.50 0.00 0.00 54.79 52.21 3pcc n ASP 147 Cb 0.16 -0.16 0.13 0.00 -1.14 0.00 0.00 41.12 40.12 3pcc n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcc n GLU 148 N 0.19 2.45 -0.34 0.11 -0.58 -0.52 -4.85 120.64 117.10 3pcc n GLU 148 Ca 0.08 -3.64 0.19 0.00 -0.42 0.00 0.00 57.16 53.38 3pcc n GLU 148 Cb 0.20 -1.92 0.43 0.00 -0.57 0.00 0.00 31.44 29.58 3pcc n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcc h ALA 149 N 1.49 1.98 0.18 0.62 0.00 -1.74 0.13 119.26 121.92 3pcc h ALA 149 Ca 0.19 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3pcc h ALA 149 Cb 1.28 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 3pcc h ALA 149 CO 0.39 -0.41 -0.11 0.37 0.00 0.00 0.00 179.25 179.49 3pcc h GLN 150 N 0.51 -0.27 -0.35 0.00 4.15 -1.93 -1.44 115.11 115.78 3pcc h GLN 150 Ca 0.62 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 60.02 3pcc h GLN 150 Cb 1.32 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.06 3pcc h GLN 150 CO -0.39 -0.18 0.09 0.00 -1.93 0.00 0.00 178.83 176.42 3pcc h ALA 151 N 0.53 0.46 -0.59 3.38 0.00 -1.66 -3.06 119.26 118.32 3pcc h ALA 151 Ca -0.02 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3pcc h ALA 151 Cb 0.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3pcc h ALA 151 CO 0.02 0.12 0.39 -0.91 0.00 0.00 0.00 179.25 178.87 3pcc h ASN 152 N 0.41 0.55 0.52 0.00 2.35 -0.89 -2.16 115.58 116.36 3pcc h ASN 152 Ca 0.11 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 3pcc h ASN 152 Cb 0.29 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3pcc h ASN 152 CO 0.00 0.37 -0.26 0.00 -1.65 0.00 0.00 177.43 175.90 3pcc h ALA 153 N 1.67 1.24 -0.16 -0.83 0.00 -1.15 -3.02 119.26 117.00 3pcc h ALA 153 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3pcc h ALA 153 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3pcc h ALA 153 CO -0.07 0.32 0.00 1.63 0.00 0.00 0.00 179.25 181.13 3pcc n LYS 154 N -3.74 1.92 -1.97 0.00 5.02 -0.90 -4.94 118.16 113.54 3pcc n LYS 154 Ca -0.01 -1.83 -0.42 0.00 -2.02 0.00 0.00 58.31 54.03 3pcc n LYS 154 Cb 0.36 -1.39 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 3pcc n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcc h PRO 156 N 8.44 0.00 0.00 0.00 0.13 -1.92 -1.18 132.00 137.47 3pcc h PRO 156 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.66 3pcc h PRO 156 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3pcc h PRO 156 CO 0.93 0.00 -0.34 0.28 -0.23 0.00 0.00 178.00 178.64 3pcc h VAL 157 N 0.00 1.27 -0.34 1.56 2.07 -1.95 -3.28 116.25 115.59 3pcc h VAL 157 Ca 0.00 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3pcc h VAL 157 Cb 0.36 2.53 -0.02 0.00 -1.52 0.00 0.00 31.29 32.64 3pcc h VAL 157 CO 0.00 0.43 0.22 0.25 0.02 0.00 0.00 177.57 178.49 3pcc h LEU 158 N -1.00 0.39 0.00 2.57 5.85 -1.87 -0.94 115.31 120.31 3pcc h LEU 158 Ca -0.09 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3pcc h LEU 158 Cb 0.93 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.86 3pcc h LEU 158 CO -0.05 0.28 0.00 0.59 -0.34 0.00 0.00 178.44 178.92 3pcc n ASN 159 N -4.48 0.00 0.18 1.25 3.02 -0.46 -2.37 115.26 112.40 3pcc n ASN 159 Ca 0.02 -0.03 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 3pcc n ASN 159 Cb 0.07 -0.28 0.14 0.00 -0.61 0.00 0.00 39.78 39.10 3pcc n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcc h LEU 160 N 0.00 0.00 -8.90 3.41 3.38 -1.22 -3.43 115.31 108.55 3pcc h LEU 160 Ca 0.00 -0.01 -0.57 0.00 0.09 0.00 0.00 57.88 57.40 3pcc h LEU 160 Cb 0.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3pcc h LEU 160 CO 0.00 0.00 0.94 -0.63 0.09 0.00 0.00 178.44 178.84 3pcc s ILE 161 N -3.24 4.22 0.10 1.22 1.01 -1.00 -4.95 121.20 118.56 3pcc s ILE 161 Ca 0.05 1.35 -0.32 0.00 0.00 0.00 0.00 60.65 61.74 3pcc s ILE 161 Cb 0.07 -4.31 -0.14 0.00 0.01 0.00 0.00 42.46 38.09 3pcc s ILE 161 CO 0.70 -0.60 1.51 -0.33 0.00 0.00 0.00 174.94 176.22 3pcc h GLU 162 N 9.12 -0.67 -6.33 2.79 5.08 -1.88 -3.41 114.58 119.28 3pcc h GLU 162 Ca -0.24 0.05 -0.57 0.00 -1.00 0.00 0.00 59.36 57.59 3pcc h GLU 162 Cb 1.08 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 30.42 3pcc h GLU 162 CO 1.06 -0.45 0.85 -0.65 -1.00 0.00 0.00 179.01 178.82 3pcc s GLN 163 N -5.54 4.05 0.30 2.33 -1.52 -1.26 -4.94 119.66 113.08 3pcc s GLN 163 Ca -0.15 1.05 0.05 0.00 -1.95 0.00 0.00 55.36 54.36 3pcc s GLN 163 Cb 0.06 -3.75 0.72 0.00 -0.22 0.00 0.00 33.01 29.82 3pcc s GLN 163 CO 0.56 -0.93 1.78 -1.35 -0.25 0.00 0.00 175.29 175.10 3pcc h PRO 164 N 8.15 0.74 -0.20 2.91 0.11 -1.98 0.14 132.00 141.87 3pcc h PRO 164 Ca -0.21 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.91 3pcc h PRO 164 Cb 1.06 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3pcc h PRO 164 CO 1.04 0.49 0.14 1.96 -0.21 0.00 0.00 178.00 181.42 3pcc h GLN 165 N 0.77 0.06 0.00 1.05 7.50 -1.96 -2.39 115.11 120.13 3pcc h GLN 165 Ca 0.57 -0.00 -0.15 0.00 0.50 0.00 0.00 58.65 59.57 3pcc h GLN 165 Cb 0.88 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 28.37 3pcc h GLN 165 CO -0.38 0.04 -0.69 0.00 -1.50 0.00 0.00 178.83 176.30 3pcc h ARG 166 N 0.06 0.00 -0.27 1.46 3.08 -1.13 -3.24 114.38 114.35 3pcc h ARG 166 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 3pcc h ARG 166 Cb 0.30 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3pcc h ARG 166 CO -0.01 0.69 0.03 0.00 -1.07 0.00 0.00 179.97 179.62 3pcc h ARG 167 N 0.00 0.40 -0.14 0.04 3.08 -1.38 -2.46 114.38 113.92 3pcc h ARG 167 Ca -0.01 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.02 3pcc h ARG 167 Cb 1.39 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 3pcc h ARG 167 CO 0.09 0.40 0.10 0.93 -1.07 0.00 0.00 179.97 180.42 3pcc h GLU 168 N 0.39 0.02 0.00 0.04 5.08 -1.62 -2.08 114.58 116.41 3pcc h GLU 168 Ca 0.09 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3pcc h GLU 168 Cb 0.21 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3pcc h GLU 168 CO 0.00 0.01 0.00 1.79 -1.00 0.00 0.00 179.01 179.81 3pcc h THR 169 N 0.02 0.00 -0.21 1.13 1.35 -1.62 -2.65 112.91 110.93 3pcc h THR 169 Ca 0.06 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 3pcc h THR 169 Cb 0.23 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.72 3pcc h THR 169 CO -0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3pcc n LEU 170 N -2.86 2.42 -4.52 3.87 4.77 -0.78 -4.84 117.00 115.06 3pcc n LEU 170 Ca -0.01 -0.98 -0.40 0.00 -0.03 0.00 0.00 56.01 54.58 3pcc n LEU 170 Cb 0.15 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.00 3pcc n LEU 170 CO 0.20 0.49 -0.12 -0.63 -1.33 0.00 0.00 177.39 176.00 3pcc s ILE 171 N -1.74 5.24 0.25 -0.08 1.01 -1.00 -0.69 121.20 124.19 3pcc s ILE 171 Ca 0.34 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.43 3pcc s ILE 171 Cb 0.20 -3.71 -0.09 0.00 0.01 0.00 0.00 42.46 38.87 3pcc s ILE 171 CO 0.29 -0.03 1.01 0.00 0.00 0.00 0.00 174.94 176.21 3pcc s ALA 172 N 1.71 3.36 -0.25 9.38 0.00 0.61 -4.86 121.76 131.72 3pcc s ALA 172 Ca 0.06 0.73 -0.16 0.00 0.00 0.00 0.00 51.96 52.59 3pcc s ALA 172 Cb -0.18 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 3pcc s ALA 172 CO 0.10 0.05 0.41 0.15 0.00 0.00 0.00 175.76 176.47 3pcc s LYS 173 N -1.21 4.07 0.33 0.00 -0.14 -0.60 -1.32 119.74 120.87 3pcc s LYS 173 Ca 0.43 0.14 -0.28 0.00 -1.36 0.00 0.00 55.97 54.90 3pcc s LYS 173 Cb -0.28 -3.63 -0.10 0.00 -1.68 0.00 0.00 37.83 32.14 3pcc s LYS 173 CO 0.35 -0.24 1.23 0.50 -0.76 0.00 0.00 175.35 176.44 3pcc s ARG 174 N 1.94 4.36 0.00 1.68 3.52 -1.26 -1.09 118.95 128.10 3pcc s ARG 174 Ca 0.17 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.83 3pcc s ARG 174 Cb -0.15 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3pcc s ARG 174 CO 0.09 -0.12 0.00 0.00 -0.81 0.00 0.00 175.30 174.46 3pcc s GLU 176 N -0.72 0.16 -0.11 0.00 2.12 -1.26 -2.01 118.70 116.88 3pcc s GLU 176 Ca 0.00 0.25 0.01 0.00 0.36 0.00 0.00 54.97 55.59 3pcc s GLU 176 Cb 0.00 0.03 0.02 0.00 0.26 0.00 0.00 34.13 34.44 3pcc s GLU 176 CO 0.00 -0.05 -0.13 0.08 -0.54 0.00 0.00 175.26 174.62 3pcc s VAL 177 N 0.32 1.36 -1.53 3.70 1.01 0.23 -4.76 120.40 120.74 3pcc s VAL 177 Ca -0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3pcc s VAL 177 Cb -0.03 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.11 3pcc s VAL 177 CO -0.01 0.41 0.31 0.47 0.00 0.00 0.00 175.10 176.28 3pcc n ASP 178 N 4.34 -0.26 -1.93 3.32 8.00 -1.26 0.15 116.55 128.92 3pcc n ASP 178 Ca -0.18 -1.13 -0.20 0.00 0.71 0.00 0.00 54.79 53.99 3pcc n ASP 178 Cb 0.51 -2.37 -0.06 0.00 -0.02 0.00 0.00 41.12 39.19 3pcc n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcc n GLY 179 N -2.09 0.93 3.47 0.44 0.00 -1.26 -4.97 105.19 101.72 3pcc n GLY 179 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3pcc n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcc s LYS 180 N -4.28 2.89 0.05 1.61 2.47 0.40 -5.09 119.74 117.80 3pcc s LYS 180 Ca 0.00 -0.64 -0.31 0.00 -1.56 0.00 0.00 55.97 53.46 3pcc s LYS 180 Cb 0.00 -2.54 -0.07 0.00 -1.46 0.00 0.00 37.83 33.76 3pcc s LYS 180 CO 0.00 0.49 1.48 0.99 0.16 0.00 0.00 175.35 178.47 3pcc s THR 181 N -0.37 3.39 0.06 3.43 2.01 -1.26 0.78 115.64 123.68 3pcc s THR 181 Ca 0.04 0.86 0.01 0.00 0.31 0.00 0.00 61.69 62.91 3pcc s THR 181 Cb -0.12 -3.55 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 3pcc s THR 181 CO 0.02 0.01 -0.06 0.00 -0.69 0.00 0.00 174.62 173.91 3pcc s ALA 182 N 2.17 0.67 -0.03 7.40 0.00 -0.85 -1.62 121.76 129.49 3pcc s ALA 182 Ca 0.67 -1.07 0.02 0.00 0.00 0.00 0.00 51.96 51.58 3pcc s ALA 182 Cb -0.35 0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.92 3pcc s ALA 182 CO 0.29 -0.19 -0.06 0.71 0.00 0.00 0.00 175.76 176.51 3pcc s TYR 183 N -2.78 0.79 -0.21 0.00 1.51 -0.41 0.33 117.35 116.58 3pcc s TYR 183 Ca 0.01 -0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 55.76 3pcc s TYR 183 Cb -0.00 -0.63 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 3pcc s TYR 183 CO -0.04 -0.14 0.14 0.50 -1.11 0.00 0.00 175.55 174.90 3pcc s ARG 184 N 0.56 4.16 -0.35 -0.62 3.52 -0.25 -1.64 118.95 124.33 3pcc s ARG 184 Ca -0.08 -0.23 -0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3pcc s ARG 184 Cb -0.11 -3.45 0.12 0.00 -1.56 0.00 0.00 34.95 29.95 3pcc s ARG 184 CO 0.00 0.24 0.18 0.12 -0.81 0.00 0.00 175.30 175.04 3pcc s PHE 185 N 0.53 1.17 0.13 5.12 5.36 -0.48 -1.56 117.98 128.24 3pcc s PHE 185 Ca 0.08 -1.72 -0.19 0.00 -0.96 0.00 0.00 56.93 54.13 3pcc s PHE 185 Cb -0.12 -1.32 -0.07 0.00 -0.34 0.00 0.00 43.02 41.17 3pcc s PHE 185 CO -0.00 -0.83 0.62 -0.51 -1.46 0.00 0.00 175.22 173.04 3pcc s ASP 186 N 1.18 7.07 -0.17 6.13 1.01 -1.26 -4.09 116.67 126.54 3pcc s ASP 186 Ca 0.15 1.32 -0.02 0.00 0.71 0.00 0.00 52.55 54.70 3pcc s ASP 186 Cb -0.21 -2.38 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3pcc s ASP 186 CO -0.11 0.19 -0.08 -0.63 0.21 0.00 0.00 175.17 174.75 3pcc s ILE 187 N -1.25 3.28 -0.30 0.77 1.01 -0.10 -4.95 121.20 119.66 3pcc s ILE 187 Ca 0.34 -0.56 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 3pcc s ILE 187 Cb -0.19 -2.43 0.06 0.00 0.01 0.00 0.00 42.46 39.91 3pcc s ILE 187 CO 0.20 0.48 -0.00 -0.13 0.00 0.00 0.00 174.94 175.49 3pcc s ARG 188 N 0.79 2.26 0.28 2.79 0.52 -1.26 -0.63 118.95 123.70 3pcc s ARG 188 Ca -0.03 -1.39 0.00 0.00 -0.52 0.00 0.00 55.73 53.79 3pcc s ARG 188 Cb -0.15 -3.15 0.42 0.00 0.52 0.00 0.00 34.95 32.59 3pcc s ARG 188 CO 0.01 -0.68 1.79 0.82 0.02 0.00 0.00 175.30 177.26 3pcc h ILE 189 N 6.54 1.23 -3.00 1.52 2.04 -1.71 0.62 117.51 124.75 3pcc h ILE 189 Ca -0.18 -0.96 -0.13 0.00 1.00 0.00 0.00 64.86 64.58 3pcc h ILE 189 Cb 1.05 0.94 -0.22 0.00 -0.74 0.00 0.00 36.82 37.85 3pcc h ILE 189 CO 0.53 0.33 -0.31 -1.58 0.00 0.00 0.00 178.15 177.12 3pcc s GLN 190 N -4.93 0.53 1.33 2.37 0.74 -1.26 -4.76 119.66 113.68 3pcc s GLN 190 Ca -0.09 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.43 3pcc s GLN 190 Cb 0.15 0.24 0.00 0.00 1.10 0.00 0.00 33.01 34.50 3pcc s GLN 190 CO 0.79 -0.12 0.00 0.41 -0.55 0.00 0.00 175.29 175.83 3pcc n GLY 191 N 2.04 -0.33 3.60 2.59 0.00 -1.26 -4.21 105.19 107.61 3pcc n GLY 191 Ca -0.18 -1.52 -0.51 0.00 0.00 0.00 0.00 46.02 43.82 3pcc n GLY 191 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcc n GLU 192 N 0.00 1.53 -1.48 1.61 2.13 -1.26 -0.51 120.64 122.66 3pcc n GLU 192 Ca 0.00 0.51 -0.03 0.00 0.66 0.00 0.00 57.16 58.30 3pcc n GLU 192 Cb 0.00 -2.50 -0.01 0.00 0.27 0.00 0.00 31.44 29.20 3pcc n GLU 192 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pcc n GLY 193 N 5.25 0.47 3.66 8.31 0.00 -1.26 -4.99 105.19 116.63 3pcc n GLY 193 Ca 0.31 -0.86 -0.47 0.00 0.00 0.00 0.00 46.02 45.00 3pcc n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcc n GLU 194 N -2.27 1.96 -2.27 1.61 2.13 0.33 -4.64 120.64 117.50 3pcc n GLU 194 Ca -0.04 0.71 -0.39 0.00 0.66 0.00 0.00 57.16 58.10 3pcc n GLU 194 Cb 0.28 -2.44 -0.03 0.00 0.27 0.00 0.00 31.44 29.52 3pcc n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcc s THR 195 N 0.74 3.08 0.15 6.31 2.01 0.21 -4.95 115.64 123.19 3pcc s THR 195 Ca 0.79 1.00 -0.31 0.00 0.31 0.00 0.00 61.69 63.48 3pcc s THR 195 Cb -0.72 -3.61 -0.08 0.00 0.01 0.00 0.00 72.50 68.10 3pcc s THR 195 CO 0.41 0.18 1.39 -0.69 -0.69 0.00 0.00 174.62 175.21 3pcc s VAL 196 N -1.27 3.17 0.06 3.82 1.01 -1.26 -4.95 120.40 120.99 3pcc s VAL 196 Ca 0.52 0.88 0.09 0.00 0.00 0.00 0.00 61.98 63.47 3pcc s VAL 196 Cb -0.34 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3pcc s VAL 196 CO 0.44 0.09 -0.24 -0.36 0.00 0.00 0.00 175.10 175.03 3pcc s PHE 197 N 0.77 2.38 0.36 5.22 0.08 -1.26 -4.67 117.98 120.86 3pcc s PHE 197 Ca 0.63 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 57.39 3pcc s PHE 197 Cb -0.38 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.66 3pcc s PHE 197 CO 0.33 0.21 0.22 -0.06 -0.10 0.00 0.00 175.22 175.82 3pcc s PHE 198 N -0.90 2.74 -0.04 0.36 0.08 0.31 -5.00 117.98 115.53 3pcc s PHE 198 Ca 0.13 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.80 3pcc s PHE 198 Cb -0.10 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.57 3pcc s PHE 198 CO 0.04 0.22 -0.07 0.34 -0.10 0.00 0.00 175.22 175.65 3pcc s ASP 199 N -3.93 1.12 0.00 1.36 2.15 -1.26 -4.31 116.67 111.80 3pcc s ASP 199 Ca 0.40 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.21 3pcc s ASP 199 Cb -0.03 -0.49 0.00 0.00 -0.30 0.00 0.00 42.92 42.11 3pcc s ASP 199 CO 0.24 -0.01 0.00 2.22 -0.17 0.00 0.00 175.17 177.45