#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 4.94 -0.06 4.25 -1.09 -1.26 -5.07 121.20 122.91 3pcc s ILE 2 Ca 0.00 1.63 0.05 0.00 -2.23 0.00 0.00 60.65 60.10 3pcc s ILE 2 Cb 0.00 -4.12 -0.01 0.00 -1.58 0.00 0.00 42.46 36.75 3pcc s ILE 2 CO 0.00 0.26 -0.21 -1.61 -1.23 0.00 0.00 174.94 172.14 3pcc s GLU 3 N 0.66 2.26 0.45 2.79 0.41 -1.26 -5.15 118.70 118.86 3pcc s GLU 3 Ca 0.41 -0.77 -0.01 0.00 -0.41 0.00 0.00 54.97 54.19 3pcc s GLU 3 Cb -0.19 -1.90 0.09 0.00 -1.78 0.00 0.00 34.13 30.35 3pcc s GLU 3 CO 0.21 0.29 0.62 1.28 -0.49 0.00 0.00 175.26 177.17 3pcc n LEU 4 N 3.12 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 115.16 3pcc n LEU 4 Ca -0.18 -1.22 -0.36 0.00 -0.02 0.00 0.00 56.01 54.24 3pcc n LEU 4 Cb 0.52 -0.41 0.01 0.00 -1.62 0.00 0.00 43.42 41.93 3pcc n LEU 4 CO 0.25 -0.82 0.81 -0.76 -1.22 0.00 0.00 177.39 175.65 3pcc s LEU 5 N 0.00 3.75 0.42 2.23 1.43 -1.26 -4.97 118.68 120.29 3pcc s LEU 5 Ca 0.40 2.26 -0.21 0.00 -1.03 0.00 0.00 54.13 55.55 3pcc s LEU 5 Cb -0.02 -4.55 -0.11 0.00 0.03 0.00 0.00 46.19 41.54 3pcc s LEU 5 CO 0.27 -1.30 0.96 -2.16 0.23 0.00 0.00 176.35 174.34 3pcc s PRO 6 N -3.23 4.23 0.35 1.29 0.05 -1.26 -5.02 135.00 131.41 3pcc s PRO 6 Ca 0.73 1.16 -0.26 0.00 0.05 0.00 0.00 61.00 62.68 3pcc s PRO 6 Cb -0.26 -2.23 -0.09 0.00 0.05 0.00 0.00 34.50 31.96 3pcc s PRO 6 CO 0.30 -0.03 1.05 -2.00 0.05 0.00 0.00 177.00 176.36 3pcc s GLU 7 N -3.08 4.36 0.18 4.56 2.12 -1.26 -4.96 118.70 120.62 3pcc s GLU 7 Ca 0.61 1.57 -0.33 0.00 0.36 0.00 0.00 54.97 57.18 3pcc s GLU 7 Cb -0.10 -2.77 -0.13 0.00 0.26 0.00 0.00 34.13 31.38 3pcc s GLU 7 CO 0.15 0.02 1.64 2.41 -0.54 0.00 0.00 175.26 178.94 3pcc n THR 8 N 0.39 0.01 -2.17 -1.70 -1.04 -1.26 -4.92 114.28 103.59 3pcc n THR 8 Ca 0.03 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.65 3pcc n THR 8 Cb 0.48 -1.72 -0.01 0.00 -1.82 0.00 0.00 70.33 67.26 3pcc n THR 8 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3pcc s PRO 9 N 1.06 3.98 0.73 -2.82 0.04 -1.26 -5.02 135.00 131.70 3pcc s PRO 9 Ca 0.77 1.99 -0.11 0.00 0.04 0.00 0.00 61.00 63.69 3pcc s PRO 9 Cb -0.61 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.27 3pcc s PRO 9 CO 0.36 -0.43 1.07 0.45 0.04 0.00 0.00 177.00 178.49 3pcc s SER 10 N -0.96 5.03 0.06 6.66 0.15 -1.26 -5.08 113.70 118.29 3pcc s SER 10 Ca 0.58 1.61 -0.08 0.00 0.70 0.00 0.00 55.95 58.75 3pcc s SER 10 Cb -0.34 -2.42 -0.00 0.00 -1.71 0.00 0.00 66.02 61.54 3pcc s SER 10 CO 0.43 -1.66 0.17 -1.10 1.20 0.00 0.00 173.24 172.28 3pcc s GLN 11 N -5.03 0.73 0.59 5.44 -1.52 -1.19 -4.93 119.66 113.75 3pcc s GLN 11 Ca 0.59 -0.79 -0.20 0.00 -1.95 0.00 0.00 55.36 53.01 3pcc s GLN 11 Cb -0.15 0.30 -0.03 0.00 -0.22 0.00 0.00 33.01 32.90 3pcc s GLN 11 CO 0.55 -0.21 1.28 -0.08 -0.25 0.00 0.00 175.29 176.58 3pcc s THR 12 N -3.10 2.31 0.36 -0.19 -1.32 -1.22 -4.79 115.64 107.69 3pcc s THR 12 Ca -0.01 0.20 0.19 0.00 -1.21 0.00 0.00 61.69 60.87 3pcc s THR 12 Cb 0.01 -3.09 0.19 0.00 -1.51 0.00 0.00 72.50 68.10 3pcc s THR 12 CO -0.07 -0.03 1.92 0.00 -2.21 0.00 0.00 174.62 174.24 3pcc h ALA 13 N 1.04 1.33 0.00 11.08 0.00 -1.75 -3.50 119.26 127.47 3pcc h ALA 13 Ca -0.51 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.17 3pcc h ALA 13 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3pcc h ALA 13 CO 0.55 0.32 0.00 0.41 0.00 0.00 0.00 179.25 180.53 3pcc n GLY 14 N -0.51 -1.88 0.19 0.00 0.00 -1.26 -4.17 105.19 97.57 3pcc n GLY 14 Ca -0.02 -1.52 0.14 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.53 1.61 0.13 -1.93 -3.23 132.00 128.05 3pcc h PRO 15 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.06 3pcc h PRO 15 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3pcc h PRO 15 CO 0.00 0.00 0.08 0.66 -0.23 0.00 0.00 178.00 178.51 3pcc n TYR 16 N -2.64 1.86 -0.18 1.56 4.01 -1.26 -4.65 117.16 115.86 3pcc n TYR 16 Ca 0.02 -0.95 0.20 0.00 -0.16 0.00 0.00 57.90 57.01 3pcc n TYR 16 Cb 0.29 -0.51 0.57 0.00 -0.31 0.00 0.00 39.34 39.38 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 2.91 0.69 -0.13 -0.72 3.04 -1.72 -1.15 116.25 119.17 3pcc h VAL 17 Ca 0.09 -0.09 0.04 0.00 -1.01 0.00 0.00 66.70 65.72 3pcc h VAL 17 Cb 1.94 0.39 -0.01 0.00 -2.01 0.00 0.00 31.29 31.60 3pcc h VAL 17 CO 0.49 0.05 0.10 0.45 -1.01 0.00 0.00 177.57 177.65 3pcc h HIS 18 N 0.28 0.00 -0.01 3.17 3.86 -1.85 -0.54 115.15 120.06 3pcc h HIS 18 Ca 0.41 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.55 3pcc h HIS 18 Cb 1.17 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3pcc h HIS 18 CO -0.00 0.00 -0.31 -0.84 0.86 0.00 0.00 177.93 177.64 3pcc h ILE 19 N 0.00 1.23 0.07 2.45 3.07 -1.44 0.11 117.51 123.00 3pcc h ILE 19 Ca 0.06 -1.07 -0.36 0.00 1.55 0.00 0.00 64.86 65.04 3pcc h ILE 19 Cb 0.26 1.56 -0.04 0.00 -0.27 0.00 0.00 36.82 38.33 3pcc h ILE 19 CO -0.00 0.31 -2.10 0.61 -1.05 0.00 0.00 178.15 175.92 3pcc n GLY 20 N -0.63 -0.60 0.07 0.16 0.00 -0.30 -4.62 105.19 99.26 3pcc n GLY 20 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.32 1.29 -2.82 0.99 4.77 -0.67 -4.82 117.00 112.42 3pcc n LEU 21 Ca -0.33 -1.16 -0.11 0.00 -0.03 0.00 0.00 56.01 54.38 3pcc n LEU 21 Cb 1.04 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.18 3pcc n LEU 21 CO 0.39 0.31 0.20 0.00 -1.33 0.00 0.00 177.39 176.96 3pcc n ALA 22 N 0.02 -0.37 -0.26 -1.18 0.00 0.32 -4.96 120.51 114.08 3pcc n ALA 22 Ca 0.01 -1.82 -0.12 0.00 0.00 0.00 0.00 53.44 51.52 3pcc n ALA 22 Cb 0.08 -1.15 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 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 3.25 -1.92 -0.32 0.00 4.07 -1.64 0.54 115.31 119.29 3pcc h LEU 23 Ca -0.07 0.27 0.07 0.00 0.08 0.00 0.00 57.88 58.23 3pcc h LEU 23 Cb 1.06 0.82 -0.08 0.00 1.08 0.00 0.00 40.66 43.53 3pcc h LEU 23 CO 0.24 -0.30 -0.31 -0.08 -1.08 0.00 0.00 178.44 176.90 3pcc h GLU 24 N -0.20 -0.27 -0.93 1.13 4.81 -1.87 -0.53 114.58 116.72 3pcc h GLU 24 Ca 0.11 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3pcc h GLU 24 Cb 0.48 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.85 3pcc h GLU 24 CO -0.73 -0.18 0.58 0.00 -0.73 0.00 0.00 179.01 177.95 3pcc h ALA 25 N 0.69 1.32 0.00 2.92 0.00 -1.64 1.01 119.26 123.57 3pcc h ALA 25 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pcc h ALA 25 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3pcc h ALA 25 CO -0.47 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.06 3pcc n ALA 26 N -2.36 1.46 -2.88 0.00 0.00 0.09 -4.83 120.51 111.98 3pcc n ALA 26 Ca 0.15 -0.02 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 3pcc n ALA 26 Cb 0.24 -1.17 0.03 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.46 0.36 3.47 0.00 0.00 0.35 -4.97 105.19 103.93 3pcc n GLY 27 Ca 0.02 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.16 3.44 0.36 1.61 0.01 -0.30 -5.01 114.94 111.89 3pcc s ASN 28 Ca 0.20 -1.07 -0.28 0.00 -0.71 0.00 0.00 52.86 51.00 3pcc s ASN 28 Cb -0.09 -0.28 -0.11 0.00 0.41 0.00 0.00 41.25 41.18 3pcc s ASN 28 CO 0.28 -0.05 1.49 -2.84 -1.51 0.00 0.00 177.10 174.47 3pcc s PRO 29 N -3.56 4.12 0.48 -0.60 0.02 -1.26 -3.78 135.00 130.43 3pcc s PRO 29 Ca 0.29 2.55 0.02 0.00 0.02 0.00 0.00 61.00 63.89 3pcc s PRO 29 Cb -0.03 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.53 3pcc s PRO 29 CO 0.14 -0.53 0.68 0.95 -0.33 0.00 0.00 177.00 177.92 3pcc s THR 30 N -0.97 3.24 0.58 0.99 -4.23 -1.26 -4.85 115.64 109.14 3pcc s THR 30 Ca 0.54 -0.70 0.04 0.00 -1.18 0.00 0.00 61.69 60.39 3pcc s THR 30 Cb -0.46 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.26 3pcc s THR 30 CO 0.61 -0.11 0.80 -0.13 -0.54 0.00 0.00 174.62 175.25 3pcc s ARG 31 N -4.58 2.29 0.17 3.99 0.52 -1.26 -5.02 118.95 115.06 3pcc s ARG 31 Ca 0.53 -1.16 -0.19 0.00 -0.52 0.00 0.00 55.73 54.38 3pcc s ARG 31 Cb -0.10 -2.53 0.09 0.00 0.52 0.00 0.00 34.95 32.93 3pcc s ARG 31 CO 0.37 -0.88 1.63 -0.44 0.02 0.00 0.00 175.30 176.00 3pcc h ASP 32 N 0.03 -0.70 -3.14 0.23 5.19 -2.07 -3.40 116.42 112.57 3pcc h ASP 32 Ca -0.37 0.15 -0.66 0.00 -0.62 0.00 0.00 57.03 55.53 3pcc h ASP 32 Cb 1.28 0.37 -0.35 0.00 0.18 0.00 0.00 39.33 40.81 3pcc h ASP 32 CO 0.45 -0.24 -0.86 -1.10 -3.12 0.00 0.00 179.24 174.37 3pcc s GLN 33 N -6.13 2.88 0.10 3.56 -0.21 -1.26 -5.12 119.66 113.47 3pcc s GLN 33 Ca -0.14 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 54.52 3pcc s GLN 33 Cb 0.14 -2.42 -0.03 0.00 1.00 0.00 0.00 33.01 31.70 3pcc s GLN 33 CO 0.70 -0.12 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.34 3pcc s GLU 34 N 1.08 1.10 -0.38 2.91 0.41 -1.26 -5.12 118.70 117.43 3pcc s GLU 34 Ca -0.01 -1.13 -0.18 0.00 -0.41 0.00 0.00 54.97 53.23 3pcc s GLU 34 Cb -0.14 -1.33 0.01 0.00 -1.78 0.00 0.00 34.13 30.88 3pcc s GLU 34 CO -0.07 0.31 0.52 0.42 -0.49 0.00 0.00 175.26 175.95 3pcc s ILE 35 N -1.16 5.00 0.00 -1.63 1.01 -1.26 -5.03 121.20 118.12 3pcc s ILE 35 Ca 0.05 0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3pcc s ILE 35 Cb -0.10 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.34 3pcc s ILE 35 CO 0.04 -0.34 0.00 1.87 0.00 0.00 0.00 174.94 176.51 3pcc n TRP 36 N 5.81 0.00 0.67 3.97 -0.00 -1.26 -4.58 117.44 122.05 3pcc n TRP 36 Ca -0.05 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.51 3pcc n TRP 36 Cb 0.48 0.00 0.17 0.00 -0.00 0.00 0.00 31.31 31.97 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 0.00 2.25 -4.15 5.87 6.94 -0.53 -1.74 115.26 123.91 3pcc n ASN 37 Ca 0.00 -2.09 -0.38 0.00 -0.02 0.00 0.00 54.58 52.09 3pcc n ASN 37 Cb 0.00 -0.31 -0.10 0.00 -2.36 0.00 0.00 39.78 37.01 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 -1.57 2.38 0.11 -3.83 6.06 -1.26 -0.68 118.95 120.16 3pcc s ARG 38 Ca 0.25 -2.05 -0.03 0.00 -2.50 0.00 0.00 55.73 51.40 3pcc s ARG 38 Cb 0.14 -3.76 -0.15 0.00 0.06 0.00 0.00 34.95 31.24 3pcc s ARG 38 CO 0.15 -1.15 1.25 -0.07 -2.50 0.00 0.00 175.30 172.99 3pcc h LEU 39 N 7.83 0.43 -8.54 -0.88 4.07 -1.12 -3.46 115.31 113.65 3pcc h LEU 39 Ca -0.10 -0.39 -0.69 0.00 0.08 0.00 0.00 57.88 56.77 3pcc h LEU 39 Cb 1.02 -0.14 -0.31 0.00 1.08 0.00 0.00 40.66 42.32 3pcc h LEU 39 CO 0.75 1.23 -0.88 0.00 -1.08 0.00 0.00 178.44 178.46 3pcc s ALA 40 N -3.01 2.18 0.40 1.53 0.00 -1.20 -0.21 121.76 121.45 3pcc s ALA 40 Ca -0.04 -1.07 -0.17 0.00 0.00 0.00 0.00 51.96 50.68 3pcc s ALA 40 Cb 0.08 -0.65 -0.09 0.00 0.00 0.00 0.00 23.12 22.46 3pcc s ALA 40 CO 0.87 0.45 0.85 0.15 0.00 0.00 0.00 175.76 178.08 3pcc s LYS 41 N -0.31 4.05 0.58 0.00 1.02 0.22 -4.85 119.74 120.45 3pcc s LYS 41 Ca 0.01 0.85 0.34 0.00 0.02 0.00 0.00 55.97 57.19 3pcc s LYS 41 Cb -0.13 -2.29 1.37 0.00 -0.52 0.00 0.00 37.83 36.27 3pcc s LYS 41 CO 0.02 0.01 1.64 -1.35 -0.92 0.00 0.00 175.35 174.75 3pcc h PRO 42 N 1.82 0.00 -0.62 -1.68 0.11 -2.00 0.22 132.00 129.85 3pcc h PRO 42 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pcc h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pcc h PRO 42 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3pcc n ASP 43 N -3.73 3.81 -4.74 -2.05 5.75 -1.26 -4.94 116.55 109.40 3pcc n ASP 43 Ca 0.23 -2.32 -0.40 0.00 -0.01 0.00 0.00 54.79 52.28 3pcc n ASP 43 Cb 1.30 -0.50 -0.05 0.00 -1.03 0.00 0.00 41.12 40.83 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 -1.74 3.31 0.59 2.12 0.00 0.75 -5.02 121.76 121.77 3pcc s ALA 44 Ca 0.40 0.61 -0.19 0.00 0.00 0.00 0.00 51.96 52.79 3pcc s ALA 44 Cb 0.26 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3pcc s ALA 44 CO 0.20 0.13 1.19 -1.25 0.00 0.00 0.00 175.76 176.03 3pcc s PRO 45 N -0.82 3.01 0.00 0.00 0.04 -1.26 -4.89 135.00 131.08 3pcc s PRO 45 Ca 0.43 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.23 3pcc s PRO 45 Cb -0.25 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.35 3pcc s PRO 45 CO 0.32 -1.16 0.00 0.41 0.04 0.00 0.00 177.00 176.61 3pcc n GLY 46 N 0.38 1.27 3.55 0.56 0.00 -1.26 -4.62 105.19 105.07 3pcc n GLY 46 Ca 0.13 -2.20 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.38 3.45 0.09 1.61 2.12 -1.26 -4.97 118.70 118.36 3pcc s GLU 47 Ca 0.00 0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 3pcc s GLU 47 Cb 0.00 -4.01 -0.07 0.00 0.26 0.00 0.00 34.13 30.30 3pcc s GLU 47 CO 0.00 -1.50 1.43 -1.01 -0.54 0.00 0.00 175.26 173.63 3pcc s HIS 48 N 4.28 3.07 0.09 5.30 3.76 -1.26 -1.23 115.29 129.29 3pcc s HIS 48 Ca 0.37 0.85 -0.00 0.00 -0.15 0.00 0.00 55.06 56.12 3pcc s HIS 48 Cb -0.10 -3.72 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 3pcc s HIS 48 CO 0.23 -2.59 -0.02 0.96 -0.85 0.00 0.00 174.74 172.47 3pcc s ILE 49 N 1.56 0.36 -0.09 0.60 -4.36 -0.11 -4.74 121.20 114.41 3pcc s ILE 49 Ca 0.66 -1.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.17 3pcc s ILE 49 Cb -0.36 -1.70 -0.03 0.00 1.25 0.00 0.00 42.46 41.62 3pcc s ILE 49 CO 0.30 -0.83 -0.09 -0.22 0.24 0.00 0.00 174.94 174.33 3pcc s LEU 50 N -3.00 3.01 -0.05 0.37 2.96 -0.54 -2.25 118.68 119.19 3pcc s LEU 50 Ca 0.13 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 53.94 3pcc s LEU 50 Cb 0.07 -1.67 -0.02 0.00 0.50 0.00 0.00 46.19 45.07 3pcc s LEU 50 CO -0.05 0.28 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.32 3pcc s LEU 51 N -0.33 2.55 -0.03 -0.68 1.43 -0.23 -1.63 118.68 119.77 3pcc s LEU 51 Ca 0.04 -0.28 -0.21 0.00 -1.03 0.00 0.00 54.13 52.65 3pcc s LEU 51 Cb -0.13 -1.50 0.04 0.00 0.03 0.00 0.00 46.19 44.64 3pcc s LEU 51 CO 0.02 0.33 0.45 -1.48 0.23 0.00 0.00 176.35 175.90 3pcc s LEU 52 N -0.63 0.27 0.09 1.79 -0.00 -0.81 -0.81 118.68 118.58 3pcc s LEU 52 Ca 0.09 0.32 -0.27 0.00 -0.00 0.00 0.00 54.13 54.28 3pcc s LEU 52 Cb -0.11 1.76 0.09 0.00 -0.00 0.00 0.00 46.19 47.93 3pcc s LEU 52 CO 0.00 -0.51 1.12 -0.83 -0.00 0.00 0.00 176.35 176.13 3pcc s GLY 53 N -1.30 -0.22 0.17 -3.48 0.00 -1.00 -1.40 107.32 100.10 3pcc s GLY 53 Ca -0.12 0.23 0.08 0.00 0.00 0.00 0.00 44.72 44.91 3pcc s GLY 53 CO 0.06 0.95 -0.17 1.20 0.00 0.00 0.00 173.10 175.14 3pcc s GLN 54 N -2.67 1.29 -0.10 2.90 -0.21 -1.26 -1.38 119.66 118.22 3pcc s GLN 54 Ca 0.16 -1.45 0.03 0.00 0.02 0.00 0.00 55.36 54.13 3pcc s GLN 54 Cb 0.01 -1.28 0.00 0.00 1.00 0.00 0.00 33.01 32.74 3pcc s GLN 54 CO 0.00 0.25 -0.22 0.08 -2.12 0.00 0.00 175.29 173.29 3pcc s VAL 55 N -2.25 1.90 -0.04 1.09 1.01 -1.26 -1.17 120.40 119.67 3pcc s VAL 55 Ca 0.17 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3pcc s VAL 55 Cb -0.05 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.65 3pcc s VAL 55 CO 0.07 0.52 -0.14 -0.31 0.00 0.00 0.00 175.10 175.24 3pcc s TYR 56 N 0.47 2.71 0.82 5.22 1.51 0.11 0.38 117.35 128.56 3pcc s TYR 56 Ca -0.16 -0.15 -0.07 0.00 -1.01 0.00 0.00 57.07 55.68 3pcc s TYR 56 Cb -0.17 -1.62 0.15 0.00 -0.11 0.00 0.00 41.96 40.21 3pcc s TYR 56 CO 0.06 0.20 1.12 0.16 -1.11 0.00 0.00 175.55 175.99 3pcc s ASP 57 N -0.79 3.87 0.48 2.29 1.47 0.12 -0.87 116.67 123.24 3pcc s ASP 57 Ca 0.12 -0.11 0.33 0.00 1.18 0.00 0.00 52.55 54.06 3pcc s ASP 57 Cb -0.11 -0.14 1.74 0.00 -0.34 0.00 0.00 42.92 44.08 3pcc s ASP 57 CO 0.01 -2.20 2.00 1.23 0.68 0.00 0.00 175.17 176.89 3pcc h GLY 58 N -0.96 0.00 -1.86 2.12 0.00 -1.88 -1.36 103.07 99.13 3pcc h GLY 58 Ca -0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3pcc h GLY 58 CO 0.40 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.64 3pcc n ASN 59 N -2.67 2.90 -0.31 0.19 3.02 -1.26 -4.78 115.26 112.36 3pcc n ASN 59 Ca -0.02 -1.91 -0.04 0.00 -0.03 0.00 0.00 54.58 52.58 3pcc n ASN 59 Cb 0.08 -0.21 -0.02 0.00 -0.61 0.00 0.00 39.78 39.02 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 1.39 0.65 3.92 7.41 0.00 -0.51 -5.04 105.19 113.01 3pcc n GLY 60 Ca 0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.15 3.51 0.32 1.61 3.76 -1.26 -4.85 115.29 116.25 3pcc s HIS 61 Ca 0.00 0.25 -0.29 0.00 -0.15 0.00 0.00 55.06 54.87 3pcc s HIS 61 Cb 0.00 -1.76 -0.10 0.00 1.11 0.00 0.00 32.58 31.82 3pcc s HIS 61 CO 0.00 0.57 1.34 -0.51 -0.85 0.00 0.00 174.74 175.29 3pcc s LEU 62 N -2.62 4.41 -0.51 0.89 1.43 -1.26 -0.70 118.68 120.31 3pcc s LEU 62 Ca 0.35 2.72 -0.16 0.00 -1.03 0.00 0.00 54.13 56.01 3pcc s LEU 62 Cb -0.13 -3.65 0.10 0.00 0.03 0.00 0.00 46.19 42.55 3pcc s LEU 62 CO 0.28 -0.59 0.48 -0.69 0.23 0.00 0.00 176.35 176.06 3pcc s VAL 63 N -0.98 5.17 -0.90 -1.59 1.01 0.16 -4.85 120.40 118.42 3pcc s VAL 63 Ca 0.51 -1.22 0.26 0.00 0.00 0.00 0.00 61.98 61.53 3pcc s VAL 63 Cb -0.41 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 31.80 3pcc s VAL 63 CO 0.53 -0.76 1.53 0.54 0.00 0.00 0.00 175.10 176.93 3pcc n ARG 64 N 5.36 0.09 -0.71 2.72 1.74 -1.26 -4.11 116.66 120.49 3pcc n ARG 64 Ca -0.13 0.03 -0.01 0.00 -0.77 0.00 0.00 57.85 56.98 3pcc n ARG 64 Cb 0.42 -1.56 0.22 0.00 -1.02 0.00 0.00 32.46 30.51 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 -1.70 2.95 -4.85 0.55 5.68 -1.26 -3.89 116.55 114.03 3pcc n ASP 65 Ca 0.05 -3.53 -0.32 0.00 -0.50 0.00 0.00 54.79 50.50 3pcc n ASP 65 Cb 0.37 -0.62 -0.00 0.00 -1.14 0.00 0.00 41.12 39.73 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 -2.30 6.29 -0.05 -1.12 1.04 -1.26 -4.55 113.70 111.75 3pcc s SER 66 Ca 0.44 1.52 0.01 0.00 0.48 0.00 0.00 55.95 58.40 3pcc s SER 66 Cb 0.39 -2.49 0.02 0.00 0.10 0.00 0.00 66.02 64.04 3pcc s SER 66 CO 0.03 -0.82 -0.04 0.12 0.98 0.00 0.00 173.24 173.51 3pcc s PHE 67 N -2.90 0.75 0.06 5.02 5.36 -0.18 -2.50 117.98 123.59 3pcc s PHE 67 Ca 0.57 -0.21 0.08 0.00 -0.96 0.00 0.00 56.93 56.41 3pcc s PHE 67 Cb -0.11 -0.68 -0.03 0.00 -0.34 0.00 0.00 43.02 41.86 3pcc s PHE 67 CO 0.44 -0.20 -0.21 -0.51 -1.46 0.00 0.00 175.22 173.28 3pcc s LEU 68 N 0.99 2.21 -0.03 6.12 1.02 -0.65 -0.99 118.68 127.34 3pcc s LEU 68 Ca -0.10 -0.57 0.05 0.00 0.02 0.00 0.00 54.13 53.53 3pcc s LEU 68 Cb -0.14 -0.96 -0.01 0.00 0.02 0.00 0.00 46.19 45.10 3pcc s LEU 68 CO -0.00 0.13 -0.18 -1.61 0.02 0.00 0.00 176.35 174.71 3pcc s GLU 69 N -1.40 1.70 0.13 1.70 2.02 -0.77 -1.79 118.70 120.29 3pcc s GLU 69 Ca 0.07 -0.63 0.09 0.00 0.02 0.00 0.00 54.97 54.53 3pcc s GLU 69 Cb -0.09 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 3pcc s GLU 69 CO 0.03 0.30 -0.23 0.14 0.02 0.00 0.00 175.26 175.51 3pcc s VAL 70 N -0.12 1.97 -0.05 2.63 -7.23 -0.25 -1.55 120.40 115.79 3pcc s VAL 70 Ca -0.00 -1.70 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3pcc s VAL 70 Cb -0.10 -1.79 0.04 0.00 0.56 0.00 0.00 36.38 35.09 3pcc s VAL 70 CO 0.01 -0.04 0.10 0.86 -0.31 0.00 0.00 175.10 175.72 3pcc s TRP 71 N -1.27 -0.05 0.10 2.82 -0.11 -0.49 -2.31 118.94 117.63 3pcc s TRP 71 Ca 0.11 0.38 -0.14 0.00 1.22 0.00 0.00 56.10 57.67 3pcc s TRP 71 Cb -0.09 -0.31 0.02 0.00 -1.50 0.00 0.00 33.47 31.59 3pcc s TRP 71 CO 0.06 -0.19 0.33 1.14 -4.62 0.00 0.00 176.95 173.67 3pcc s GLN 72 N 1.85 0.97 0.59 5.86 -2.07 -0.50 -0.51 119.66 125.85 3pcc s GLN 72 Ca -0.00 -0.73 -0.10 0.00 -1.82 0.00 0.00 55.36 52.70 3pcc s GLN 72 Cb -0.12 0.42 -0.04 0.00 -1.09 0.00 0.00 33.01 32.18 3pcc s GLN 72 CO -0.04 -0.35 0.98 0.00 -1.32 0.00 0.00 175.29 174.56 3pcc s ALA 73 N -3.61 3.15 1.08 2.60 0.00 -1.26 -4.43 121.76 119.29 3pcc s ALA 73 Ca 0.02 -0.15 -0.14 0.00 0.00 0.00 0.00 51.96 51.69 3pcc s ALA 73 Cb 0.02 -2.99 0.19 0.00 0.00 0.00 0.00 23.12 20.34 3pcc s ALA 73 CO -0.10 -0.60 0.92 -0.40 0.00 0.00 0.00 175.76 175.58 3pcc n ASP 74 N -2.59 -0.69 0.28 0.00 5.68 0.92 -4.39 116.55 115.76 3pcc n ASP 74 Ca 0.05 -1.21 0.18 0.00 -0.50 0.00 0.00 54.79 53.30 3pcc n ASP 74 Cb 0.54 -0.76 0.95 0.00 -1.14 0.00 0.00 41.12 40.71 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 -2.13 1.49 -0.47 2.12 0.00 -1.82 0.62 119.26 119.07 3pcc h ALA 75 Ca -0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3pcc h ALA 75 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3pcc h ALA 75 CO 0.22 -0.13 0.00 0.09 0.00 0.00 0.00 179.25 179.43 3pcc n ASN 76 N -3.59 2.84 -0.60 0.00 3.02 -1.26 -3.64 115.26 112.04 3pcc n ASN 76 Ca -0.01 -2.10 -0.06 0.00 -0.03 0.00 0.00 54.58 52.37 3pcc n ASN 76 Cb 0.19 -0.37 -0.01 0.00 -0.61 0.00 0.00 39.78 38.97 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 1.13 0.48 3.48 7.41 0.00 -0.10 -4.82 105.19 112.76 3pcc n GLY 77 Ca 0.17 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.43 3.19 -0.28 1.61 2.02 -1.25 -4.66 118.70 115.89 3pcc s GLU 78 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 54.97 54.13 3pcc s GLU 78 Cb 0.00 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.57 3pcc s GLU 78 CO 0.00 0.39 0.91 0.71 0.02 0.00 0.00 175.26 177.30 3pcc s TYR 79 N -0.09 3.23 -0.80 1.61 2.02 -1.26 -0.06 117.35 122.01 3pcc s TYR 79 Ca -0.00 1.09 -0.16 0.00 -0.37 0.00 0.00 57.07 57.63 3pcc s TYR 79 Cb -0.13 -3.32 0.18 0.00 -0.40 0.00 0.00 41.96 38.29 3pcc s TYR 79 CO 0.03 -0.57 0.82 -0.65 -1.57 0.00 0.00 175.55 173.61 3pcc s GLN 80 N 3.15 3.48 0.37 -0.62 -1.52 -1.26 -4.92 119.66 118.35 3pcc s GLN 80 Ca 0.38 -2.09 0.20 0.00 -1.95 0.00 0.00 55.36 51.90 3pcc s GLN 80 Cb -0.14 -4.51 0.27 0.00 -0.22 0.00 0.00 33.01 28.40 3pcc s GLN 80 CO 0.11 -1.44 1.56 0.38 -0.25 0.00 0.00 175.29 175.64 3pcc h ASP 81 N 8.31 0.00 -2.04 5.90 3.04 -1.98 -3.28 116.42 126.37 3pcc h ASP 81 Ca 0.03 0.00 -0.60 0.00 -3.24 0.00 0.00 57.03 53.23 3pcc h ASP 81 Cb 1.05 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.23 3pcc h ASP 81 CO 0.91 0.23 1.06 0.00 -2.04 0.00 0.00 179.24 179.39 3pcc s ALA 82 N -3.13 2.90 0.06 4.15 0.00 -1.26 -4.97 121.76 119.51 3pcc s ALA 82 Ca 0.05 -1.93 -0.31 0.00 0.00 0.00 0.00 51.96 49.78 3pcc s ALA 82 Cb 0.06 -4.23 -0.07 0.00 0.00 0.00 0.00 23.12 18.88 3pcc s ALA 82 CO 0.70 -3.25 1.46 -0.47 0.00 0.00 0.00 175.76 174.20 3pcc s TYR 83 N 4.75 2.92 -0.28 0.00 5.04 -1.26 -5.01 117.35 123.51 3pcc s TYR 83 Ca 0.35 0.75 -0.18 0.00 -2.44 0.00 0.00 57.07 55.56 3pcc s TYR 83 Cb -0.07 -3.75 0.08 0.00 0.35 0.00 0.00 41.96 38.58 3pcc s TYR 83 CO 0.03 -2.77 0.72 1.21 -1.34 0.00 0.00 175.55 173.40 3pcc s ASN 84 N 1.67 -0.88 0.58 4.32 3.84 -1.26 -5.03 114.94 118.17 3pcc s ASN 84 Ca 0.66 1.45 0.33 0.00 0.21 0.00 0.00 52.86 55.52 3pcc s ASN 84 Cb -0.36 1.38 1.76 0.00 -0.55 0.00 0.00 41.25 43.48 3pcc s ASN 84 CO 0.29 -0.23 2.17 -0.07 -2.79 0.00 0.00 177.10 176.47 3pcc h LEU 85 N 6.58 0.00 -0.56 3.21 3.38 -1.97 -1.55 115.31 124.40 3pcc h LEU 85 Ca -0.30 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.54 3pcc h LEU 85 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3pcc h LEU 85 CO 0.14 0.05 -0.62 -0.33 0.09 0.00 0.00 178.44 177.78 3pcc h GLU 86 N 0.00 0.00 -6.94 1.13 5.08 -2.00 -3.46 114.58 108.39 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 0.22 0.00 0.18 0.00 0.50 0.00 0.00 28.75 29.65 3pcc h GLU 86 CO 0.01 0.62 0.07 0.09 -1.00 0.00 0.00 179.01 178.80 3pcc n ASN 87 N -3.57 0.36 0.16 1.42 3.02 -0.59 -4.91 115.26 111.15 3pcc n ASN 87 Ca -0.00 0.65 0.09 0.00 -0.03 0.00 0.00 54.58 55.29 3pcc n ASN 87 Cb 0.67 -1.40 0.08 0.00 -0.61 0.00 0.00 39.78 38.52 3pcc n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcc h ALA 88 N -0.30 0.77 -2.87 5.41 0.00 -1.89 -3.44 119.26 116.94 3pcc h ALA 88 Ca -0.47 -0.14 -0.15 0.00 0.00 0.00 0.00 54.91 54.15 3pcc h ALA 88 Cb 1.33 0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.87 3pcc h ALA 88 CO 0.46 0.17 -0.36 0.12 0.00 0.00 0.00 179.25 179.65 3pcc s PHE 89 N -3.20 -0.43 -0.05 0.00 5.36 -1.26 0.71 117.98 119.12 3pcc s PHE 89 Ca 0.03 0.98 0.05 0.00 -0.96 0.00 0.00 56.93 57.04 3pcc s PHE 89 Cb 0.07 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.89 3pcc s PHE 89 CO 0.73 -0.24 -0.20 -0.80 -1.46 0.00 0.00 175.22 173.25 3pcc s ASN 90 N 0.81 2.46 0.26 6.13 0.01 0.71 -4.98 114.94 120.33 3pcc s ASN 90 Ca -0.05 -0.40 0.26 0.00 -0.71 0.00 0.00 52.86 51.95 3pcc s ASN 90 Cb -0.06 -0.65 0.84 0.00 0.41 0.00 0.00 41.25 41.80 3pcc s ASN 90 CO -0.06 0.19 1.76 0.28 -1.51 0.00 0.00 177.10 177.76 3pcc h SER 91 N 6.14 0.00 -3.66 -1.22 0.02 -1.77 -3.44 113.55 109.62 3pcc h SER 91 Ca -0.33 0.00 -0.68 0.00 -0.84 0.00 0.00 61.79 59.94 3pcc h SER 91 Cb 1.17 0.00 -0.18 0.00 0.14 0.00 0.00 62.40 63.53 3pcc h SER 91 CO 0.48 0.00 -0.71 0.12 -1.14 0.00 0.00 176.83 175.57 3pcc s PHE 92 N -3.19 2.85 0.29 3.45 5.36 -1.26 -1.40 117.98 124.07 3pcc s PHE 92 Ca 0.08 -0.06 -0.20 0.00 -0.96 0.00 0.00 56.93 55.79 3pcc s PHE 92 Cb 0.11 -1.60 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 3pcc s PHE 92 CO 0.55 0.35 0.71 0.20 -1.46 0.00 0.00 175.22 175.57 3pcc s GLY 93 N -1.36 -0.02 0.02 13.12 0.00 -0.98 -4.85 107.32 113.26 3pcc s GLY 93 Ca 0.16 -0.38 0.01 0.00 0.00 0.00 0.00 44.72 44.51 3pcc s GLY 93 CO 0.07 -0.14 -0.04 0.50 0.00 0.00 0.00 173.10 173.49 3pcc s ARG 94 N -3.81 0.35 0.30 2.90 0.52 -0.71 -1.09 118.95 117.41 3pcc s ARG 94 Ca 0.12 -0.61 -0.12 0.00 -0.52 0.00 0.00 55.73 54.60 3pcc s ARG 94 Cb -0.06 0.00 0.01 0.00 0.52 0.00 0.00 34.95 35.43 3pcc s ARG 94 CO 0.07 -0.02 0.56 -0.08 0.02 0.00 0.00 175.30 175.85 3pcc s THR 95 N -1.36 0.00 0.18 0.02 -1.32 -0.74 -1.45 115.64 110.97 3pcc s THR 95 Ca -0.14 -1.34 -0.21 0.00 -1.21 0.00 0.00 61.69 58.80 3pcc s THR 95 Cb -0.09 -2.41 0.05 0.00 -1.51 0.00 0.00 72.50 68.53 3pcc s THR 95 CO -0.01 0.00 0.58 0.00 -2.21 0.00 0.00 174.62 172.98 3pcc s ALA 96 N -3.46 -1.33 0.07 11.08 0.00 -1.26 -1.63 121.76 125.22 3pcc s ALA 96 Ca 0.22 0.16 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 3pcc s ALA 96 Cb -0.02 0.85 -0.06 0.00 0.00 0.00 0.00 23.12 23.89 3pcc s ALA 96 CO 0.12 -0.80 0.50 0.95 0.00 0.00 0.00 175.76 176.53 3pcc s THR 97 N -3.81 4.88 0.17 0.00 -4.23 -1.04 -4.20 115.64 107.41 3pcc s THR 97 Ca 0.04 0.96 -0.32 0.00 -1.18 0.00 0.00 61.69 61.20 3pcc s THR 97 Cb -0.01 -3.79 -0.11 0.00 1.34 0.00 0.00 72.50 69.93 3pcc s THR 97 CO -0.08 0.48 1.67 0.42 -0.54 0.00 0.00 174.62 176.57 3pcc s THR 98 N -1.20 2.41 0.19 3.99 -4.23 -1.15 -4.60 115.64 111.06 3pcc s THR 98 Ca 0.29 0.23 0.34 0.00 -1.18 0.00 0.00 61.69 61.38 3pcc s THR 98 Cb -0.17 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.88 3pcc s THR 98 CO 0.17 0.01 2.04 -0.26 -0.54 0.00 0.00 174.62 176.05 3pcc h PHE 99 N 7.15 0.00 0.00 3.99 0.04 -1.95 0.12 116.94 126.28 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 0.67 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.98 3pcc n ASP 100 N -2.81 0.00 0.21 2.17 5.75 -1.26 -4.72 116.55 115.89 3pcc n ASP 100 Ca -0.01 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.84 3pcc n ASP 100 Cb 0.15 0.00 0.45 0.00 -1.03 0.00 0.00 41.12 40.69 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 1.18 -2.13 2.12 0.00 -1.98 -3.47 119.26 112.98 3pcc h ALA 101 Ca 0.00 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 3pcc h ALA 101 Cb 0.00 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 17.77 3pcc h ALA 101 CO 0.00 0.37 -0.25 0.41 0.00 0.00 0.00 179.25 179.78 3pcc n GLY 102 N -0.22 0.17 3.44 0.00 0.00 0.40 -4.93 105.19 104.06 3pcc n GLY 102 Ca -0.01 -0.41 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -4.99 2.40 0.14 1.61 2.12 -1.26 -4.28 118.70 114.44 3pcc s GLU 103 Ca 0.12 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.76 3pcc s GLU 103 Cb -0.05 -2.30 -0.04 0.00 0.26 0.00 0.00 34.13 32.00 3pcc s GLU 103 CO 0.15 0.61 0.01 1.67 -0.54 0.00 0.00 175.26 177.16 3pcc s TRP 104 N -0.71 2.93 0.06 5.30 1.48 -0.48 -2.91 118.94 124.60 3pcc s TRP 104 Ca 0.11 -0.08 0.00 0.00 -1.06 0.00 0.00 56.10 55.07 3pcc s TRP 104 Cb -0.10 -1.46 -0.04 0.00 -1.16 0.00 0.00 33.47 30.71 3pcc s TRP 104 CO 0.00 0.50 -0.05 0.95 -4.06 0.00 0.00 176.95 174.30 3pcc s THR 105 N -1.56 0.38 -0.11 0.66 -4.23 -1.26 -2.37 115.64 107.15 3pcc s THR 105 Ca 0.27 -1.63 -0.10 0.00 -1.18 0.00 0.00 61.69 59.05 3pcc s THR 105 Cb -0.10 -1.28 0.03 0.00 1.34 0.00 0.00 72.50 72.49 3pcc s THR 105 CO 0.19 -0.82 0.28 -0.22 -0.54 0.00 0.00 174.62 173.51 3pcc s LEU 106 N -2.59 0.88 -0.26 4.79 2.96 0.01 -4.83 118.68 119.63 3pcc s LEU 106 Ca 0.03 0.57 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3pcc s LEU 106 Cb 0.02 0.96 0.01 0.00 0.50 0.00 0.00 46.19 47.69 3pcc s LEU 106 CO -0.06 -0.10 0.00 -1.00 -1.32 0.00 0.00 176.35 173.87 3pcc s HIS 107 N 0.23 3.08 0.00 5.38 3.76 0.14 -1.06 115.29 126.82 3pcc s HIS 107 Ca -0.01 -1.20 0.00 0.00 -0.15 0.00 0.00 55.06 53.70 3pcc s HIS 107 Cb -0.03 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3pcc s HIS 107 CO -0.00 -0.63 0.00 -2.37 -0.85 0.00 0.00 174.74 170.89 3pcc n THR 108 N 4.77 0.00 -4.21 1.30 5.66 -0.96 -0.56 114.28 120.29 3pcc n THR 108 Ca -0.16 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.65 3pcc n THR 108 Cb 0.48 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.14 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 -1.68 1.30 0.06 1.08 -7.23 -1.26 -0.94 120.40 111.73 3pcc s VAL 109 Ca 0.00 -1.45 -0.31 0.00 -1.81 0.00 0.00 61.98 58.41 3pcc s VAL 109 Cb 0.00 -1.29 -0.08 0.00 0.56 0.00 0.00 36.38 35.58 3pcc s VAL 109 CO 0.00 -0.23 1.62 -0.75 -0.31 0.00 0.00 175.10 175.42 3pcc s LYS 110 N -1.99 4.21 0.55 4.82 2.20 -0.37 -4.90 119.74 124.26 3pcc s LYS 110 Ca 0.02 2.28 -0.20 0.00 -0.36 0.00 0.00 55.97 57.71 3pcc s LYS 110 Cb -0.09 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 3pcc s LYS 110 CO 0.03 -0.71 1.17 -1.25 -0.36 0.00 0.00 175.35 174.23 3pcc s PRO 111 N 2.60 3.29 0.69 4.03 0.04 -1.26 -4.18 135.00 140.21 3pcc s PRO 111 Ca 0.72 1.74 -0.05 0.00 0.04 0.00 0.00 61.00 63.46 3pcc s PRO 111 Cb -0.39 -2.06 0.08 0.00 0.04 0.00 0.00 34.50 32.17 3pcc s PRO 111 CO 0.31 -0.93 0.98 0.20 0.04 0.00 0.00 177.00 177.60 3pcc s GLY 112 N -1.60 1.74 0.33 0.56 0.00 0.02 -4.75 107.32 103.62 3pcc s GLY 112 Ca 0.73 -1.16 -0.28 0.00 0.00 0.00 0.00 44.72 44.00 3pcc s GLY 112 CO 0.31 -0.73 1.15 0.14 0.00 0.00 0.00 173.10 173.97 3pcc s VAL 113 N -3.17 3.27 0.04 1.40 1.01 -1.26 -4.27 120.40 117.42 3pcc s VAL 113 Ca 0.61 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.85 3pcc s VAL 113 Cb -0.09 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3pcc s VAL 113 CO 0.44 0.24 -0.14 0.68 0.00 0.00 0.00 175.10 176.31 3pcc s VAL 114 N -1.25 1.13 0.26 2.92 -7.23 -1.26 -4.39 120.40 110.58 3pcc s VAL 114 Ca 0.49 -1.04 -0.04 0.00 -1.81 0.00 0.00 61.98 59.58 3pcc s VAL 114 Cb -0.33 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.53 3pcc s VAL 114 CO 0.42 -0.02 0.50 0.20 -0.31 0.00 0.00 175.10 175.89 3pcc s ASN 115 N -1.21 6.43 0.96 4.85 0.01 -1.26 0.06 114.94 124.78 3pcc s ASN 115 Ca 0.01 0.61 -0.12 0.00 -0.71 0.00 0.00 52.86 52.65 3pcc s ASN 115 Cb -0.08 -2.10 0.18 0.00 0.41 0.00 0.00 41.25 39.66 3pcc s ASN 115 CO 0.01 -0.14 1.10 -0.46 -1.51 0.00 0.00 177.10 176.10 3pcc n ASN 116 N -0.82 0.23 -0.07 -1.22 0.23 0.34 -4.88 115.26 109.08 3pcc n ASN 116 Ca -0.03 -1.49 0.01 0.00 -0.53 0.00 0.00 54.58 52.55 3pcc n ASN 116 Cb 0.54 -0.83 0.32 0.00 -2.08 0.00 0.00 39.78 37.74 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 -1.66 1.51 -0.01 -2.53 0.00 -1.99 -1.08 119.26 113.51 3pcc h ALA 117 Ca -0.36 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3pcc h ALA 117 Cb 1.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3pcc h ALA 117 CO 0.26 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3pcc n ALA 118 N -2.46 2.50 -1.00 0.00 0.00 -1.26 -4.87 120.51 113.42 3pcc n ALA 118 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3pcc n ALA 118 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.57 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 0.46 0.51 3.75 0.00 0.00 -0.41 -5.03 105.19 104.47 3pcc n GLY 119 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.12 5.00 0.42 1.61 1.01 -1.26 -4.74 120.40 120.31 3pcc s VAL 120 Ca 0.00 1.20 -0.25 0.00 0.00 0.00 0.00 61.98 62.93 3pcc s VAL 120 Cb 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3pcc s VAL 120 CO 0.00 0.38 1.22 -2.16 0.00 0.00 0.00 175.10 174.53 3pcc s PRO 121 N 0.12 3.94 0.03 2.72 0.04 -1.26 0.13 135.00 140.72 3pcc s PRO 121 Ca 0.31 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.31 3pcc s PRO 121 Cb -0.17 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3pcc s PRO 121 CO 0.16 -0.45 0.00 -1.64 0.04 0.00 0.00 177.00 175.11 3pcc s MET 122 N -2.37 2.70 0.67 4.56 -1.94 0.11 -4.45 119.30 118.59 3pcc s MET 122 Ca 0.59 -0.70 -0.17 0.00 -1.71 0.00 0.00 55.69 53.70 3pcc s MET 122 Cb -0.33 -2.62 0.01 0.00 2.01 0.00 0.00 34.83 33.90 3pcc s MET 122 CO 0.41 0.59 1.23 0.00 -0.01 0.00 0.00 175.02 177.24 3pcc s ALA 123 N -1.17 2.29 0.11 3.03 0.00 -1.26 -4.04 121.76 120.72 3pcc s ALA 123 Ca 0.22 0.99 -0.35 0.00 0.00 0.00 0.00 51.96 52.82 3pcc s ALA 123 Cb -0.12 -3.48 -0.15 0.00 0.00 0.00 0.00 23.12 19.37 3pcc s ALA 123 CO 0.13 -1.62 1.53 -2.30 0.00 0.00 0.00 175.76 173.50 3pcc n PRO 124 N -2.24 1.81 -3.75 0.00 -0.02 -1.26 -4.86 135.00 124.69 3pcc n PRO 124 Ca 0.14 0.65 -0.10 0.00 -2.02 0.00 0.00 63.50 62.17 3pcc n PRO 124 Cb 0.50 -2.39 -0.06 0.00 -0.02 0.00 0.00 33.50 31.53 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 1.03 -0.05 -0.11 6.00 -3.43 -1.26 -4.38 115.29 113.09 3pcc s HIS 125 Ca 0.82 -0.25 0.01 0.00 -0.80 0.00 0.00 55.06 54.85 3pcc s HIS 125 Cb -0.78 0.10 -0.01 0.00 -1.43 0.00 0.00 32.58 30.46 3pcc s HIS 125 CO 0.42 -0.59 -0.15 0.42 -2.00 0.00 0.00 174.74 172.84 3pcc s ILE 126 N -3.44 2.88 -0.11 -5.38 1.01 -0.31 -4.66 121.20 111.19 3pcc s ILE 126 Ca 0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.71 3pcc s ILE 126 Cb 0.02 -2.18 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3pcc s ILE 126 CO -0.09 0.54 0.62 0.20 0.00 0.00 0.00 174.94 176.21 3pcc s ASN 127 N 0.15 6.83 0.03 3.58 0.01 0.33 -0.94 114.94 124.93 3pcc s ASN 127 Ca -0.08 1.00 0.08 0.00 -0.71 0.00 0.00 52.86 53.14 3pcc s ASN 127 Cb -0.15 -2.36 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 3pcc s ASN 127 CO 0.05 -0.11 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.68 3pcc s ILE 128 N 0.98 1.78 -0.09 0.60 1.01 0.80 -1.39 121.20 124.89 3pcc s ILE 128 Ca 0.32 -1.17 0.02 0.00 0.00 0.00 0.00 60.65 59.82 3pcc s ILE 128 Cb -0.16 -1.53 0.01 0.00 0.01 0.00 0.00 42.46 40.79 3pcc s ILE 128 CO 0.14 0.31 -0.16 -0.44 0.00 0.00 0.00 174.94 174.79 3pcc s SER 129 N -1.02 2.36 -0.10 3.58 0.01 -0.60 -0.65 113.70 117.28 3pcc s SER 129 Ca 0.09 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.95 3pcc s SER 129 Cb -0.09 -1.07 -0.02 0.00 0.21 0.00 0.00 66.02 65.05 3pcc s SER 129 CO 0.01 0.06 -0.16 -0.22 0.41 0.00 0.00 173.24 173.34 3pcc s LEU 130 N 0.71 2.59 0.07 2.44 2.96 0.84 -1.84 118.68 126.46 3pcc s LEU 130 Ca -0.12 -0.34 0.06 0.00 -0.22 0.00 0.00 54.13 53.51 3pcc s LEU 130 Cb -0.16 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 3pcc s LEU 130 CO 0.03 0.21 -0.17 -0.36 -1.32 0.00 0.00 176.35 174.74 3pcc s PHE 131 N 0.07 1.45 0.00 5.38 0.40 -0.16 -1.58 117.98 123.54 3pcc s PHE 131 Ca -0.06 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 3pcc s PHE 131 Cb -0.15 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.56 3pcc s PHE 131 CO 0.05 0.11 0.00 0.00 0.70 0.00 0.00 175.22 176.07 3pcc n ALA 132 N 1.36 0.00 -1.81 5.36 0.00 -1.26 -1.01 120.51 123.16 3pcc n ALA 132 Ca -0.20 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 3pcc n ALA 132 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 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 4.19 0.00 0.00 1.70 -1.25 -1.19 118.95 120.39 3pcc s ARG 133 Ca 0.00 2.45 0.00 0.00 -0.47 0.00 0.00 55.73 57.71 3pcc s ARG 133 Cb 0.00 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 31.33 3pcc s ARG 133 CO 0.00 -0.50 0.00 0.41 -1.08 0.00 0.00 175.30 174.13 3pcc n GLY 134 N 1.73 1.27 3.36 3.88 0.00 -1.26 -4.96 105.19 109.21 3pcc n GLY 134 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.31 4.39 0.11 -0.61 1.01 -0.34 -4.98 121.20 118.48 3pcc s ILE 135 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 60.65 59.68 3pcc s ILE 135 Cb 0.00 -3.43 -0.18 0.00 0.01 0.00 0.00 42.46 38.86 3pcc s ILE 135 CO 0.00 -0.18 1.29 0.78 0.00 0.00 0.00 174.94 176.82 3pcc h ASN 136 N 8.38 0.83 -3.67 3.58 2.35 -1.90 -3.34 115.58 121.80 3pcc h ASN 136 Ca -0.26 -0.59 -0.37 0.00 -0.55 0.00 0.00 56.30 54.52 3pcc h ASN 136 Cb 1.10 -0.25 -0.32 0.00 0.05 0.00 0.00 38.32 38.91 3pcc h ASN 136 CO 0.65 1.39 -0.76 -0.51 -1.65 0.00 0.00 177.43 176.54 3pcc s ILE 137 N -3.53 0.47 0.48 2.81 2.07 -1.26 -3.15 121.20 119.09 3pcc s ILE 137 Ca -0.09 -0.16 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 3pcc s ILE 137 Cb 0.08 -0.47 -0.08 0.00 0.13 0.00 0.00 42.46 42.12 3pcc s ILE 137 CO 0.90 0.18 1.04 0.00 -1.91 0.00 0.00 174.94 175.15 3pcc n HIS 138 N 3.58 1.23 -3.66 3.50 1.44 -1.26 -4.98 115.22 115.07 3pcc n HIS 138 Ca -0.21 0.50 -0.36 0.00 -2.01 0.00 0.00 57.72 55.65 3pcc n HIS 138 Cb 0.54 -2.23 -0.08 0.00 0.12 0.00 0.00 29.99 28.34 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 -1.24 4.19 -0.05 2.39 1.43 -0.62 -4.89 118.68 119.90 3pcc s LEU 139 Ca 0.67 0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 53.98 3pcc s LEU 139 Cb -0.50 -2.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 3pcc s LEU 139 CO 0.54 0.13 0.22 -1.00 0.23 0.00 0.00 176.35 176.46 3pcc s HIS 140 N 0.57 3.60 0.29 0.29 3.76 -1.26 -0.11 115.29 122.42 3pcc s HIS 140 Ca 0.10 0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 55.46 3pcc s HIS 140 Cb -0.12 -1.98 0.01 0.00 1.11 0.00 0.00 32.58 31.60 3pcc s HIS 140 CO 0.01 0.67 0.53 -0.08 -0.85 0.00 0.00 174.74 175.02 3pcc s THR 141 N -1.17 0.00 0.02 1.30 -1.32 0.18 -0.99 115.64 113.66 3pcc s THR 141 Ca 0.22 -1.37 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 3pcc s THR 141 Cb -0.13 -2.36 -0.02 0.00 -1.51 0.00 0.00 72.50 68.48 3pcc s THR 141 CO 0.11 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.23 3pcc s ARG 142 N -3.60 1.15 -0.17 7.08 0.52 -1.26 -0.14 118.95 122.53 3pcc s ARG 142 Ca 0.23 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3pcc s ARG 142 Cb -0.02 -1.17 -0.02 0.00 0.52 0.00 0.00 34.95 34.27 3pcc s ARG 142 CO 0.12 0.30 -0.07 -1.17 0.02 0.00 0.00 175.30 174.50 3pcc s LEU 143 N -0.90 2.98 0.31 2.53 0.20 -0.12 -4.75 118.68 118.93 3pcc s LEU 143 Ca 0.04 -0.27 0.10 0.00 0.69 0.00 0.00 54.13 54.70 3pcc s LEU 143 Cb -0.07 -1.72 -0.05 0.00 -0.43 0.00 0.00 46.19 43.92 3pcc s LEU 143 CO 0.01 0.11 -0.04 -0.31 -0.29 0.00 0.00 176.35 175.83 3pcc s TYR 144 N 0.69 2.53 -0.15 5.38 2.02 -0.21 -1.16 117.35 126.46 3pcc s TYR 144 Ca -0.03 -0.35 -0.05 0.00 -0.37 0.00 0.00 57.07 56.26 3pcc s TYR 144 Cb -0.15 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 3pcc s TYR 144 CO 0.02 0.57 0.01 -0.06 -1.57 0.00 0.00 175.55 174.52 3pcc s PHE 145 N -2.46 3.15 0.35 2.71 0.40 -1.26 0.15 117.98 121.01 3pcc s PHE 145 Ca 0.33 -0.05 0.37 0.00 -0.60 0.00 0.00 56.93 56.98 3pcc s PHE 145 Cb -0.03 -1.97 1.76 0.00 0.51 0.00 0.00 43.02 43.29 3pcc s PHE 145 CO 0.19 0.15 2.14 0.38 0.70 0.00 0.00 175.22 178.77 3pcc h ASP 146 N 6.38 0.00 -0.16 1.36 2.03 -1.60 -2.18 116.42 122.26 3pcc h ASP 146 Ca -0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.93 3pcc h ASP 146 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3pcc h ASP 146 CO 0.64 0.02 0.00 -0.90 -1.03 0.00 0.00 179.24 177.97 3pcc n ASP 147 N -3.16 0.91 -1.95 4.15 5.68 -1.26 -3.76 116.55 117.15 3pcc n ASP 147 Ca -0.01 -1.95 -0.22 0.00 -0.50 0.00 0.00 54.79 52.11 3pcc n ASP 147 Cb 0.21 -0.11 0.03 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 -0.03 3.47 -0.22 0.11 -0.58 -0.82 -4.87 120.64 117.71 3pcc n GLU 148 Ca 0.07 -4.11 -0.02 0.00 -0.42 0.00 0.00 57.16 52.68 3pcc n GLU 148 Cb 0.15 -2.23 0.05 0.00 -0.57 0.00 0.00 31.44 28.84 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 2.12 0.25 -0.18 0.62 0.00 -1.77 0.08 119.26 120.38 3pcc h ALA 149 Ca 0.34 0.23 0.04 0.00 0.00 0.00 0.00 54.91 55.51 3pcc h ALA 149 Cb 1.51 0.63 -0.07 0.00 0.00 0.00 0.00 17.79 19.86 3pcc h ALA 149 CO 0.71 -0.53 -0.52 1.96 0.00 0.00 0.00 179.25 180.87 3pcc h GLN 150 N -0.07 -0.52 -0.45 0.00 4.20 -1.94 0.10 115.11 116.43 3pcc h GLN 150 Ca 0.29 0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.98 3pcc h GLN 150 Cb 0.53 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 3pcc h GLN 150 CO -0.70 -0.35 0.04 0.00 -0.67 0.00 0.00 178.83 177.16 3pcc h ALA 151 N -0.16 1.22 -0.66 3.87 0.00 -1.79 -2.58 119.26 119.16 3pcc h ALA 151 Ca 0.05 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 3pcc h ALA 151 Cb 0.66 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3pcc h ALA 151 CO -0.46 0.52 0.10 -0.91 0.00 0.00 0.00 179.25 178.50 3pcc h ASN 152 N 0.68 1.04 -0.07 0.00 2.35 -0.54 -1.96 115.58 117.09 3pcc h ASN 152 Ca 0.14 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3pcc h ASN 152 Cb 0.36 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3pcc h ASN 152 CO 0.01 1.04 0.08 0.00 -1.65 0.00 0.00 177.43 176.90 3pcc h ALA 153 N 1.08 1.69 -0.16 -0.83 0.00 -0.39 -2.21 119.26 118.43 3pcc h ALA 153 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3pcc h ALA 153 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3pcc h ALA 153 CO 0.01 -0.11 0.00 1.63 0.00 0.00 0.00 179.25 180.78 3pcc n LYS 154 N -3.91 1.73 -1.84 0.00 5.02 -0.87 -4.97 118.16 113.32 3pcc n LYS 154 Ca -0.01 -1.73 -0.42 0.00 -2.02 0.00 0.00 58.31 54.13 3pcc n LYS 154 Cb 0.17 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 6.67 0.00 0.00 0.00 0.13 -1.92 -1.31 132.00 135.57 3pcc h PRO 156 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 3pcc h PRO 156 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3pcc h PRO 156 CO 0.92 0.19 -0.24 0.28 -0.23 0.00 0.00 178.00 178.92 3pcc h VAL 157 N 0.00 1.61 -0.55 1.56 2.07 -1.94 -3.25 116.25 115.75 3pcc h VAL 157 Ca -0.00 -2.30 0.04 0.00 0.82 0.00 0.00 66.70 65.25 3pcc h VAL 157 Cb 0.49 3.14 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 3pcc h VAL 157 CO 0.02 0.55 0.37 0.25 0.02 0.00 0.00 177.57 178.78 3pcc h LEU 158 N -1.00 0.53 0.00 2.57 5.85 -1.89 -0.15 115.31 121.22 3pcc h LEU 158 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3pcc h LEU 158 Cb 1.05 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3pcc h LEU 158 CO -0.04 0.36 0.00 0.59 -0.34 0.00 0.00 178.44 179.01 3pcc n ASN 159 N -4.47 0.00 0.04 1.25 3.02 -0.50 -1.65 115.26 112.95 3pcc n ASN 159 Ca 0.07 0.23 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 3pcc n ASN 159 Cb 0.16 -0.37 0.43 0.00 -0.61 0.00 0.00 39.78 39.38 3pcc n ASN 159 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3pcc n LEU 160 N -1.37 0.42 -4.58 3.41 4.77 -0.07 -4.68 117.00 114.90 3pcc n LEU 160 Ca 0.07 0.39 -0.43 0.00 -0.03 0.00 0.00 56.01 56.01 3pcc n LEU 160 Cb 0.16 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.87 3pcc n LEU 160 CO 0.14 -0.04 0.94 -0.63 -1.33 0.00 0.00 177.39 176.47 3pcc s ILE 161 N -3.05 4.27 0.23 -0.08 1.01 -0.66 -4.94 121.20 117.97 3pcc s ILE 161 Ca 0.11 0.98 -0.15 0.00 0.00 0.00 0.00 60.65 61.59 3pcc s ILE 161 Cb 0.16 -4.57 0.26 0.00 0.01 0.00 0.00 42.46 38.32 3pcc s ILE 161 CO 0.61 -1.02 1.58 -0.33 0.00 0.00 0.00 174.94 175.78 3pcc h GLU 162 N 9.24 -0.05 -4.71 2.79 5.08 -1.87 -3.39 114.58 121.67 3pcc h GLU 162 Ca -0.24 0.00 -0.68 0.00 -1.00 0.00 0.00 59.36 57.44 3pcc h GLU 162 Cb 1.06 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.10 3pcc h GLU 162 CO 1.10 -0.03 -0.53 -0.65 -1.00 0.00 0.00 179.01 177.90 3pcc s GLN 163 N -6.09 3.23 0.46 2.33 -1.52 -1.26 -4.98 119.66 111.82 3pcc s GLN 163 Ca -0.14 -0.81 0.29 0.00 -1.95 0.00 0.00 55.36 52.76 3pcc s GLN 163 Cb 0.20 -3.66 1.37 0.00 -0.22 0.00 0.00 33.01 30.71 3pcc s GLN 163 CO 0.73 -0.50 1.72 -1.35 -0.25 0.00 0.00 175.29 175.64 3pcc h PRO 164 N 8.40 0.16 -0.23 2.91 0.11 -1.98 0.61 132.00 141.99 3pcc h PRO 164 Ca -0.30 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.73 3pcc h PRO 164 Cb 1.14 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3pcc h PRO 164 CO 0.63 0.11 -0.16 1.96 -0.21 0.00 0.00 178.00 180.33 3pcc h GLN 165 N 0.16 0.38 -0.13 1.05 7.50 -1.94 -2.62 115.11 119.52 3pcc h GLN 165 Ca 0.68 -0.11 -0.10 0.00 0.50 0.00 0.00 58.65 59.62 3pcc h GLN 165 Cb 2.21 -0.04 -0.01 0.00 0.05 0.00 0.00 27.48 29.69 3pcc h GLN 165 CO -0.23 0.54 -0.38 0.00 -1.50 0.00 0.00 178.83 177.26 3pcc h ARG 166 N 0.35 0.27 -1.00 1.46 3.08 -0.16 -3.09 114.38 115.29 3pcc h ARG 166 Ca 0.06 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.05 3pcc h ARG 166 Cb 0.49 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.47 3pcc h ARG 166 CO 0.03 0.62 0.65 0.00 -1.07 0.00 0.00 179.97 180.20 3pcc h ARG 167 N 0.23 1.17 -0.04 0.04 3.08 -1.37 -2.18 114.38 115.31 3pcc h ARG 167 Ca 0.02 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3pcc h ARG 167 Cb 0.78 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3pcc h ARG 167 CO 0.06 0.78 0.10 0.93 -1.07 0.00 0.00 179.97 180.76 3pcc h GLU 168 N 1.21 0.00 0.00 0.04 5.08 -1.56 -0.24 114.58 119.11 3pcc h GLU 168 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3pcc h GLU 168 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3pcc h GLU 168 CO -0.16 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.64 3pcc h THR 169 N 0.00 0.00 -0.22 1.13 1.35 -1.54 -2.76 112.91 110.87 3pcc h THR 169 Ca 0.02 -0.37 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3pcc h THR 169 Cb 0.21 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 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 -2.80 2.51 -4.50 3.87 4.77 -0.10 -4.82 117.00 115.93 3pcc n LEU 170 Ca 0.01 -1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 54.55 3pcc n LEU 170 Cb 0.25 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.11 3pcc n LEU 170 CO 0.24 0.51 -0.03 -0.63 -1.33 0.00 0.00 177.39 176.15 3pcc s ILE 171 N -1.73 5.21 0.43 -0.08 1.01 -1.04 -1.04 121.20 123.97 3pcc s ILE 171 Ca 0.35 -0.36 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 3pcc s ILE 171 Cb 0.20 -3.88 -0.08 0.00 0.01 0.00 0.00 42.46 38.71 3pcc s ILE 171 CO 0.29 -0.22 1.17 0.00 0.00 0.00 0.00 174.94 176.18 3pcc s ALA 172 N 1.84 3.05 -0.28 9.38 0.00 0.39 -4.80 121.76 131.35 3pcc s ALA 172 Ca 0.08 0.95 -0.14 0.00 0.00 0.00 0.00 51.96 52.85 3pcc s ALA 172 Cb -0.18 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3pcc s ALA 172 CO 0.11 -0.60 0.33 0.15 0.00 0.00 0.00 175.76 175.75 3pcc s LYS 173 N -2.53 3.94 0.15 0.00 1.02 -0.64 -1.57 119.74 120.11 3pcc s LYS 173 Ca 0.61 -0.10 -0.31 0.00 0.02 0.00 0.00 55.97 56.18 3pcc s LYS 173 Cb -0.29 -3.68 -0.09 0.00 -0.52 0.00 0.00 37.83 33.25 3pcc s LYS 173 CO 0.36 -0.29 1.48 0.50 -0.92 0.00 0.00 175.35 176.49 3pcc s ARG 174 N 1.99 4.27 0.07 1.68 3.52 -1.26 -0.82 118.95 128.39 3pcc s ARG 174 Ca 0.13 2.23 -0.00 0.00 -0.13 0.00 0.00 55.73 57.95 3pcc s ARG 174 Cb -0.16 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 3pcc s ARG 174 CO 0.10 -0.52 0.09 0.00 -0.81 0.00 0.00 175.30 174.17 3pcc s GLU 176 N -2.15 0.52 -0.19 0.00 2.12 -1.26 -0.49 118.70 117.24 3pcc s GLU 176 Ca 0.06 -0.10 0.01 0.00 0.36 0.00 0.00 54.97 55.30 3pcc s GLU 176 Cb -0.00 -0.56 0.04 0.00 0.26 0.00 0.00 34.13 33.87 3pcc s GLU 176 CO 0.04 -0.01 -0.13 0.08 -0.54 0.00 0.00 175.26 174.71 3pcc s VAL 177 N 0.47 1.72 -1.38 3.70 1.01 0.90 -4.73 120.40 122.10 3pcc s VAL 177 Ca -0.05 -0.96 -0.00 0.00 0.00 0.00 0.00 61.98 60.96 3pcc s VAL 177 Cb -0.09 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.57 3pcc s VAL 177 CO -0.00 0.27 0.48 0.47 0.00 0.00 0.00 175.10 176.32 3pcc n ASP 178 N 4.68 -0.56 -2.79 3.32 9.92 -1.26 -0.11 116.55 129.75 3pcc n ASP 178 Ca -0.16 -0.97 -0.20 0.00 -0.53 0.00 0.00 54.79 52.93 3pcc n ASP 178 Cb 0.47 -3.25 0.01 0.00 -0.64 0.00 0.00 41.12 37.71 3pcc n ASP 178 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3pcc n GLY 179 N -1.90 -0.50 3.17 0.44 0.00 -1.26 -4.97 105.19 100.16 3pcc n GLY 179 Ca -0.31 0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.44 1.78 0.13 1.61 2.47 0.85 -5.10 119.74 116.04 3pcc s LYS 180 Ca 0.17 -0.66 -0.32 0.00 -1.56 0.00 0.00 55.97 53.60 3pcc s LYS 180 Cb -0.08 -1.59 -0.11 0.00 -1.46 0.00 0.00 37.83 34.58 3pcc s LYS 180 CO 0.21 0.31 1.79 2.41 0.16 0.00 0.00 175.35 180.23 3pcc n THR 181 N 2.95 0.26 -3.95 3.43 -1.04 -1.26 -0.07 114.28 114.61 3pcc n THR 181 Ca -0.17 -0.05 -0.08 0.00 -2.04 0.00 0.00 64.05 61.71 3pcc n THR 181 Cb 0.53 -2.00 -0.08 0.00 -1.82 0.00 0.00 70.33 66.96 3pcc n THR 181 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3pcc s ALA 182 N 2.30 0.08 -0.02 2.41 0.00 0.35 -1.46 121.76 125.41 3pcc s ALA 182 Ca 0.81 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.91 3pcc s ALA 182 Cb -0.53 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.10 3pcc s ALA 182 CO 0.38 -0.48 -0.02 0.71 0.00 0.00 0.00 175.76 176.34 3pcc s TYR 183 N -3.90 0.39 -0.21 0.00 1.51 -0.65 0.17 117.35 114.66 3pcc s TYR 183 Ca 0.08 -0.05 -0.07 0.00 -1.01 0.00 0.00 57.07 56.01 3pcc s TYR 183 Cb 0.06 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.48 3pcc s TYR 183 CO -0.09 -0.10 0.07 0.50 -1.11 0.00 0.00 175.55 174.83 3pcc s ARG 184 N 0.64 3.84 -0.34 -0.62 3.52 0.00 -1.92 118.95 124.08 3pcc s ARG 184 Ca -0.07 -0.40 0.01 0.00 -0.13 0.00 0.00 55.73 55.14 3pcc s ARG 184 Cb -0.10 -3.28 0.11 0.00 -1.56 0.00 0.00 34.95 30.12 3pcc s ARG 184 CO -0.01 0.07 0.11 0.12 -0.81 0.00 0.00 175.30 174.78 3pcc s PHE 185 N 0.94 2.28 0.15 5.12 5.36 -0.49 -1.62 117.98 129.72 3pcc s PHE 185 Ca 0.04 -2.19 -0.14 0.00 -0.96 0.00 0.00 56.93 53.67 3pcc s PHE 185 Cb -0.14 -2.06 -0.07 0.00 -0.34 0.00 0.00 43.02 40.41 3pcc s PHE 185 CO 0.03 -0.88 0.56 -0.51 -1.46 0.00 0.00 175.22 172.96 3pcc s ASP 186 N 1.18 6.83 -0.15 6.13 1.01 -1.26 -4.16 116.67 126.26 3pcc s ASP 186 Ca 0.12 1.09 -0.01 0.00 0.71 0.00 0.00 52.55 54.46 3pcc s ASP 186 Cb -0.19 -2.29 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 3pcc s ASP 186 CO -0.16 0.10 -0.12 -0.63 0.21 0.00 0.00 175.17 174.57 3pcc s ILE 187 N -1.47 3.07 -0.35 0.77 1.01 -0.32 -4.96 121.20 118.95 3pcc s ILE 187 Ca 0.38 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.34 3pcc s ILE 187 Cb -0.15 -2.31 0.06 0.00 0.01 0.00 0.00 42.46 40.08 3pcc s ILE 187 CO 0.19 0.51 0.10 -0.13 0.00 0.00 0.00 174.94 175.61 3pcc s ARG 188 N 0.57 2.40 0.31 2.79 0.52 -1.26 -0.72 118.95 123.57 3pcc s ARG 188 Ca -0.07 -1.38 0.04 0.00 -0.52 0.00 0.00 55.73 53.79 3pcc s ARG 188 Cb -0.15 -3.41 0.51 0.00 0.52 0.00 0.00 34.95 32.41 3pcc s ARG 188 CO 0.03 -0.77 1.79 0.82 0.02 0.00 0.00 175.30 177.20 3pcc h ILE 189 N 6.32 1.24 -2.97 1.52 2.04 -1.29 -0.07 117.51 124.30 3pcc h ILE 189 Ca -0.20 -1.06 -0.12 0.00 1.00 0.00 0.00 64.86 64.48 3pcc h ILE 189 Cb 1.07 1.20 -0.20 0.00 -0.74 0.00 0.00 36.82 38.14 3pcc h ILE 189 CO 0.61 0.34 -0.26 -1.58 0.00 0.00 0.00 178.15 177.27 3pcc s GLN 190 N -4.68 0.66 1.25 2.37 0.74 -1.26 -4.77 119.66 113.97 3pcc s GLN 190 Ca -0.07 -0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3pcc s GLN 190 Cb 0.14 0.30 0.00 0.00 1.10 0.00 0.00 33.01 34.55 3pcc s GLN 190 CO 0.78 -0.18 0.00 0.41 -0.55 0.00 0.00 175.29 175.75 3pcc n GLY 191 N 1.43 0.03 3.74 2.59 0.00 -1.26 -4.12 105.19 107.60 3pcc n GLY 191 Ca -0.21 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 3pcc n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcc s GLU 192 N 0.00 4.15 -1.43 1.61 2.02 -1.26 -1.60 118.70 122.19 3pcc s GLU 192 Ca 0.00 2.54 0.00 0.00 0.02 0.00 0.00 54.97 57.53 3pcc s GLU 192 Cb 0.00 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.17 3pcc s GLU 192 CO 0.00 -0.65 0.00 0.41 0.02 0.00 0.00 175.26 175.04 3pcc n GLY 193 N 2.98 0.84 3.66 -1.39 0.00 -1.26 -4.92 105.19 105.10 3pcc n GLY 193 Ca 0.11 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.51 1.97 -2.29 1.61 2.13 -0.63 -4.58 120.64 116.35 3pcc n GLU 194 Ca -0.16 0.70 -0.41 0.00 0.66 0.00 0.00 57.16 57.96 3pcc n GLU 194 Cb 0.53 -2.37 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 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 0.14 3.11 0.19 6.31 2.01 -0.04 -4.96 115.64 122.40 3pcc s THR 195 Ca 0.71 1.10 -0.30 0.00 0.31 0.00 0.00 61.69 63.50 3pcc s THR 195 Cb -0.68 -3.70 -0.09 0.00 0.01 0.00 0.00 72.50 68.05 3pcc s THR 195 CO 0.47 0.25 1.34 -0.69 -0.69 0.00 0.00 174.62 175.30 3pcc s VAL 196 N -1.02 3.16 -0.01 3.82 1.01 -1.26 -4.96 120.40 121.14 3pcc s VAL 196 Ca 0.48 0.93 0.06 0.00 0.00 0.00 0.00 61.98 63.45 3pcc s VAL 196 Cb -0.36 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3pcc s VAL 196 CO 0.46 0.13 -0.19 -0.36 0.00 0.00 0.00 175.10 175.14 3pcc s PHE 197 N 0.28 1.70 0.21 5.22 0.08 -1.26 -4.73 117.98 119.49 3pcc s PHE 197 Ca 0.58 -0.32 0.07 0.00 0.12 0.00 0.00 56.93 57.38 3pcc s PHE 197 Cb -0.37 -1.09 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 3pcc s PHE 197 CO 0.37 -0.02 0.12 -0.06 -0.10 0.00 0.00 175.22 175.53 3pcc s PHE 198 N -0.47 3.02 -0.02 0.36 0.08 -0.16 -5.00 117.98 115.80 3pcc s PHE 198 Ca 0.07 -0.10 0.07 0.00 0.12 0.00 0.00 56.93 57.09 3pcc s PHE 198 Cb -0.07 -1.40 -0.02 0.00 -0.57 0.00 0.00 43.02 40.96 3pcc s PHE 198 CO -0.01 0.53 -0.22 0.34 -0.10 0.00 0.00 175.22 175.77 3pcc s ASP 199 N -3.43 2.61 0.00 1.36 2.15 -1.26 -4.30 116.67 113.80 3pcc s ASP 199 Ca 0.31 -0.41 0.00 0.00 0.43 0.00 0.00 52.55 52.89 3pcc s ASP 199 Cb -0.09 -0.34 0.00 0.00 -0.30 0.00 0.00 42.92 42.19 3pcc s ASP 199 CO 0.23 0.26 0.00 2.22 -0.17 0.00 0.00 175.17 177.71