#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 4.97 -0.07 4.25 -1.09 -1.26 -5.07 121.20 122.93 3pcc s ILE 2 Ca 0.00 1.57 0.05 0.00 -2.23 0.00 0.00 60.65 60.04 3pcc s ILE 2 Cb 0.00 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.78 3pcc s ILE 2 CO 0.00 0.26 -0.23 -1.61 -1.23 0.00 0.00 174.94 172.13 3pcc s GLU 3 N 0.69 2.62 0.31 2.79 0.41 -1.26 -5.15 118.70 119.12 3pcc s GLU 3 Ca 0.40 -0.83 0.04 0.00 -0.41 0.00 0.00 54.97 54.17 3pcc s GLU 3 Cb -0.19 -2.10 0.06 0.00 -1.78 0.00 0.00 34.13 30.12 3pcc s GLU 3 CO 0.20 0.25 0.43 1.28 -0.49 0.00 0.00 175.26 176.94 3pcc n LEU 4 N 3.28 0.00 -4.77 1.80 4.32 -1.26 -5.05 117.00 115.32 3pcc n LEU 4 Ca -0.19 -1.22 -0.37 0.00 -0.02 0.00 0.00 56.01 54.21 3pcc n LEU 4 Cb 0.52 -0.25 0.00 0.00 -1.62 0.00 0.00 43.42 42.08 3pcc n LEU 4 CO 0.26 -0.64 0.87 -0.76 -1.22 0.00 0.00 177.39 175.90 3pcc s LEU 5 N 0.00 3.97 0.42 2.23 1.43 -1.26 -4.97 118.68 120.50 3pcc s LEU 5 Ca 0.32 2.42 -0.23 0.00 -1.03 0.00 0.00 54.13 55.61 3pcc s LEU 5 Cb -0.02 -4.25 -0.09 0.00 0.03 0.00 0.00 46.19 41.86 3pcc s LEU 5 CO 0.20 -1.08 1.05 -2.16 0.23 0.00 0.00 176.35 174.59 3pcc s PRO 6 N -2.75 4.07 0.43 1.29 0.05 -1.26 -5.02 135.00 131.81 3pcc s PRO 6 Ca 0.65 1.47 -0.24 0.00 0.05 0.00 0.00 61.00 62.94 3pcc s PRO 6 Cb -0.32 -2.42 -0.08 0.00 0.05 0.00 0.00 34.50 31.73 3pcc s PRO 6 CO 0.38 -0.22 1.13 -2.00 0.05 0.00 0.00 177.00 176.34 3pcc s GLU 7 N -2.70 3.96 0.25 4.56 2.12 -1.26 -4.95 118.70 120.68 3pcc s GLU 7 Ca 0.60 1.70 -0.31 0.00 0.36 0.00 0.00 54.97 57.33 3pcc s GLU 7 Cb -0.20 -2.52 -0.12 0.00 0.26 0.00 0.00 34.13 31.55 3pcc s GLU 7 CO 0.25 -0.36 1.60 2.41 -0.54 0.00 0.00 175.26 178.62 3pcc n THR 8 N -0.22 0.66 -2.37 -1.70 -1.04 -1.26 -4.93 114.28 103.43 3pcc n THR 8 Ca 0.06 -0.16 -0.38 0.00 -2.04 0.00 0.00 64.05 61.53 3pcc n THR 8 Cb 0.48 -1.86 -0.02 0.00 -1.82 0.00 0.00 70.33 67.11 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 0.06 4.05 0.66 -2.82 0.04 -1.26 -5.02 135.00 130.70 3pcc s PRO 9 Ca 0.69 1.72 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 3pcc s PRO 9 Cb -0.54 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 3pcc s PRO 9 CO 0.44 -0.29 1.05 0.45 0.04 0.00 0.00 177.00 178.69 3pcc s SER 10 N -1.30 5.60 0.03 6.66 0.15 -1.26 -5.08 113.70 118.49 3pcc s SER 10 Ca 0.58 1.65 -0.05 0.00 0.70 0.00 0.00 55.95 58.84 3pcc s SER 10 Cb -0.28 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3pcc s SER 10 CO 0.34 -1.29 0.08 -1.10 1.20 0.00 0.00 173.24 172.47 3pcc s GLN 11 N -4.76 0.52 0.54 5.44 -1.52 -1.21 -4.90 119.66 113.77 3pcc s GLN 11 Ca 0.59 -0.67 -0.21 0.00 -1.95 0.00 0.00 55.36 53.13 3pcc s GLN 11 Cb -0.14 0.20 -0.07 0.00 -0.22 0.00 0.00 33.01 32.78 3pcc s GLN 11 CO 0.49 -0.12 1.01 -2.37 -0.25 0.00 0.00 175.29 174.05 3pcc n THR 12 N 1.04 3.28 0.20 -0.19 5.66 -1.21 -4.83 114.28 118.23 3pcc n THR 12 Ca -0.20 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.35 3pcc n THR 12 Cb 0.57 -1.21 0.42 0.00 -1.55 0.00 0.00 70.33 68.56 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 0.92 1.18 0.00 1.79 0.00 -1.74 -3.50 119.26 117.91 3pcc h ALA 13 Ca -0.48 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.13 3pcc h ALA 13 Cb 1.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3pcc h ALA 13 CO 0.53 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.61 3pcc n GLY 14 N -0.19 -1.38 0.21 0.00 0.00 -1.26 -4.31 105.19 98.27 3pcc n GLY 14 Ca -0.01 -1.57 0.09 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.75 1.61 0.13 -1.93 -3.29 132.00 127.77 3pcc h PRO 15 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.93 3pcc h PRO 15 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 3pcc h PRO 15 CO 0.00 0.27 0.25 0.66 -0.23 0.00 0.00 178.00 178.95 3pcc n TYR 16 N -3.47 2.41 -0.02 1.56 4.01 -1.26 -4.59 117.16 115.80 3pcc n TYR 16 Ca -0.00 -1.14 0.21 0.00 -0.16 0.00 0.00 57.90 56.81 3pcc n TYR 16 Cb 0.44 -0.67 0.69 0.00 -0.31 0.00 0.00 39.34 39.49 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 2.74 0.72 -0.54 -0.72 3.04 -1.75 -2.35 116.25 117.39 3pcc h VAL 17 Ca 0.25 -0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.93 3pcc h VAL 17 Cb 2.30 0.71 -0.03 0.00 -2.01 0.00 0.00 31.29 32.26 3pcc h VAL 17 CO 0.72 0.00 0.33 0.45 -1.01 0.00 0.00 177.57 178.06 3pcc h HIS 18 N 0.01 0.69 -0.22 3.17 3.86 -1.85 -0.61 115.15 120.21 3pcc h HIS 18 Ca 0.27 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 3pcc h HIS 18 Cb 1.08 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 3pcc h HIS 18 CO -0.00 0.46 0.07 -0.84 0.86 0.00 0.00 177.93 178.48 3pcc h ILE 19 N 0.74 1.10 0.05 2.45 3.07 -1.64 0.16 117.51 123.43 3pcc h ILE 19 Ca 0.20 -0.34 -0.35 0.00 1.55 0.00 0.00 64.86 65.91 3pcc h ILE 19 Cb -0.04 0.87 -0.05 0.00 -0.27 0.00 0.00 36.82 37.33 3pcc h ILE 19 CO -0.04 0.12 -2.11 0.61 -1.05 0.00 0.00 178.15 175.69 3pcc n GLY 20 N -1.29 -0.68 0.00 0.16 0.00 -0.90 -4.59 105.19 97.89 3pcc n GLY 20 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.21 1.10 -2.88 0.99 4.77 -0.28 -4.82 117.00 112.66 3pcc n LEU 21 Ca -0.32 -1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 54.44 3pcc n LEU 21 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.19 3pcc n LEU 21 CO 0.39 0.27 0.13 0.00 -1.33 0.00 0.00 177.39 176.86 3pcc n ALA 22 N -0.06 0.02 -0.13 -1.18 0.00 0.51 -4.97 120.51 114.69 3pcc n ALA 22 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 53.44 51.26 3pcc n ALA 22 Cb 0.04 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 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 3.24 -1.66 -0.45 0.00 4.07 -1.64 0.17 115.31 119.04 3pcc h LEU 23 Ca -0.05 0.22 0.05 0.00 0.08 0.00 0.00 57.88 58.18 3pcc h LEU 23 Cb 1.04 0.68 -0.08 0.00 1.08 0.00 0.00 40.66 43.38 3pcc h LEU 23 CO 0.28 -0.35 -0.49 -0.08 -1.08 0.00 0.00 178.44 176.72 3pcc h GLU 24 N -0.33 -0.27 -0.64 1.13 4.81 -1.87 0.31 114.58 117.72 3pcc h GLU 24 Ca 0.07 0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.45 3pcc h GLU 24 Cb 0.51 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.84 3pcc h GLU 24 CO -0.54 -0.18 -0.09 0.00 -0.73 0.00 0.00 179.01 177.47 3pcc h ALA 25 N -0.11 0.52 0.00 2.92 0.00 -1.55 6.13 119.26 127.16 3pcc h ALA 25 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3pcc h ALA 25 Cb 0.49 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3pcc h ALA 25 CO -0.58 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 178.26 3pcc n ALA 26 N -2.98 1.09 -2.98 0.00 0.00 0.47 -4.80 120.51 111.32 3pcc n ALA 26 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 53.44 53.40 3pcc n ALA 26 Cb 0.35 -1.03 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.31 -0.10 3.42 0.00 0.00 1.98 -4.98 105.19 104.20 3pcc n GLY 27 Ca 0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.91 3.15 0.47 1.61 0.01 -0.68 -5.01 114.94 110.58 3pcc s ASN 28 Ca 0.01 -1.02 -0.25 0.00 -0.71 0.00 0.00 52.86 50.89 3pcc s ASN 28 Cb -0.00 -0.23 -0.08 0.00 0.41 0.00 0.00 41.25 41.35 3pcc s ASN 28 CO 0.50 -0.05 1.43 -2.16 -1.51 0.00 0.00 177.10 175.31 3pcc s PRO 29 N -3.55 3.56 0.46 -0.60 0.04 -1.26 -3.94 135.00 129.71 3pcc s PRO 29 Ca 0.27 2.42 0.07 0.00 0.04 0.00 0.00 61.00 63.80 3pcc s PRO 29 Cb -0.03 -2.58 0.02 0.00 0.04 0.00 0.00 34.50 31.95 3pcc s PRO 29 CO 0.11 -0.92 0.63 0.95 0.04 0.00 0.00 177.00 177.82 3pcc s THR 30 N -1.21 2.84 0.47 1.26 -4.23 -1.26 -4.84 115.64 108.67 3pcc s THR 30 Ca 0.63 -0.95 0.06 0.00 -1.18 0.00 0.00 61.69 60.25 3pcc s THR 30 Cb -0.44 -2.89 0.02 0.00 1.34 0.00 0.00 72.50 70.53 3pcc s THR 30 CO 0.56 0.00 0.65 -0.13 -0.54 0.00 0.00 174.62 175.16 3pcc s ARG 31 N -4.46 2.69 0.20 3.99 0.52 -1.26 -5.02 118.95 115.61 3pcc s ARG 31 Ca 0.56 -1.13 -0.17 0.00 -0.52 0.00 0.00 55.73 54.47 3pcc s ARG 31 Cb -0.09 -2.66 0.18 0.00 0.52 0.00 0.00 34.95 32.90 3pcc s ARG 31 CO 0.35 -0.46 1.60 -0.44 0.02 0.00 0.00 175.30 176.36 3pcc h ASP 32 N 0.42 -0.94 -3.22 0.23 3.32 -2.07 -3.39 116.42 110.77 3pcc h ASP 32 Ca -0.40 0.22 -0.66 0.00 0.02 0.00 0.00 57.03 56.21 3pcc h ASP 32 Cb 1.29 0.51 -0.34 0.00 0.22 0.00 0.00 39.33 41.01 3pcc h ASP 32 CO 0.47 -0.27 -0.86 -1.10 -1.72 0.00 0.00 179.24 175.75 3pcc s GLN 33 N -6.10 2.85 0.07 3.56 -0.21 -1.26 -5.13 119.66 113.45 3pcc s GLN 33 Ca -0.14 -0.79 0.07 0.00 0.02 0.00 0.00 55.36 54.52 3pcc s GLN 33 Cb 0.18 -2.32 -0.03 0.00 1.00 0.00 0.00 33.01 31.84 3pcc s GLN 33 CO 0.71 -0.02 -0.20 -1.21 -2.12 0.00 0.00 175.29 172.45 3pcc s GLU 34 N 0.84 1.19 -0.36 2.91 0.41 -1.26 -5.12 118.70 117.31 3pcc s GLU 34 Ca -0.07 -1.03 -0.20 0.00 -0.41 0.00 0.00 54.97 53.26 3pcc s GLU 34 Cb -0.15 -1.36 0.00 0.00 -1.78 0.00 0.00 34.13 30.84 3pcc s GLU 34 CO -0.02 0.33 0.61 0.42 -0.49 0.00 0.00 175.26 176.11 3pcc s ILE 35 N -1.00 4.92 0.00 -1.63 1.01 -1.26 -5.01 121.20 118.22 3pcc s ILE 35 Ca 0.06 0.49 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3pcc s ILE 35 Cb -0.09 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.32 3pcc s ILE 35 CO 0.03 -0.31 0.00 1.87 0.00 0.00 0.00 174.94 176.53 3pcc n TRP 36 N 5.99 0.00 0.89 3.97 -0.00 -1.26 -4.57 117.44 122.46 3pcc n TRP 36 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 57.50 3pcc n TRP 36 Cb 0.49 0.00 0.09 0.00 -0.00 0.00 0.00 31.31 31.89 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 -0.26 1.68 -3.99 5.87 6.94 -0.02 -1.96 115.26 123.52 3pcc n ASN 37 Ca 0.00 -2.14 -0.32 0.00 -0.02 0.00 0.00 54.58 52.11 3pcc n ASN 37 Cb 0.00 -0.38 -0.13 0.00 -2.36 0.00 0.00 39.78 36.91 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 -1.55 2.13 0.26 -3.83 6.06 -1.26 -0.99 118.95 119.76 3pcc s ARG 38 Ca 0.13 -2.60 0.12 0.00 -2.50 0.00 0.00 55.73 50.87 3pcc s ARG 38 Cb 0.08 -3.43 0.26 0.00 0.06 0.00 0.00 34.95 31.93 3pcc s ARG 38 CO 0.05 -1.13 1.54 -0.07 -2.50 0.00 0.00 175.30 173.20 3pcc h LEU 39 N 6.63 0.00 -8.36 -0.88 4.07 -1.46 -3.45 115.31 111.86 3pcc h LEU 39 Ca -0.06 0.00 -0.60 0.00 0.08 0.00 0.00 57.88 57.29 3pcc h LEU 39 Cb 0.91 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.34 3pcc h LEU 39 CO 0.69 0.65 -0.85 0.00 -1.08 0.00 0.00 178.44 177.85 3pcc s ALA 40 N -3.34 1.73 0.45 1.53 0.00 -1.21 -0.31 121.76 120.61 3pcc s ALA 40 Ca -0.00 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 50.98 3pcc s ALA 40 Cb 0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 23.12 22.65 3pcc s ALA 40 CO 0.76 0.37 0.87 0.15 0.00 0.00 0.00 175.76 177.90 3pcc s LYS 41 N -0.23 3.89 0.42 0.00 1.02 0.30 -4.84 119.74 120.29 3pcc s LYS 41 Ca 0.01 0.72 0.28 0.00 0.02 0.00 0.00 55.97 57.00 3pcc s LYS 41 Cb -0.10 -2.28 1.41 0.00 -0.52 0.00 0.00 37.83 36.33 3pcc s LYS 41 CO 0.01 -0.12 1.61 -1.35 -0.92 0.00 0.00 175.35 174.58 3pcc h PRO 42 N 1.22 0.07 -0.79 -1.68 0.11 -2.00 0.66 132.00 129.58 3pcc h PRO 42 Ca -0.47 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3pcc h PRO 42 Cb 1.18 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 3pcc h PRO 42 CO 0.63 0.04 0.07 -0.40 -0.21 0.00 0.00 178.00 178.14 3pcc n ASP 43 N -4.84 3.82 -4.79 -2.05 5.75 -1.26 -4.93 116.55 108.25 3pcc n ASP 43 Ca 0.38 -2.65 -0.39 0.00 -0.01 0.00 0.00 54.79 52.12 3pcc n ASP 43 Cb 1.41 -0.63 -0.06 0.00 -1.03 0.00 0.00 41.12 40.81 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 -2.06 3.50 0.67 2.12 0.00 0.22 -5.04 121.76 121.17 3pcc s ALA 44 Ca 0.34 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.37 3pcc s ALA 44 Cb 0.26 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.56 3pcc s ALA 44 CO 0.09 0.33 1.19 -1.25 0.00 0.00 0.00 175.76 176.12 3pcc s PRO 45 N -1.14 2.53 0.00 0.00 0.04 -1.26 -4.87 135.00 130.30 3pcc s PRO 45 Ca 0.33 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.07 3pcc s PRO 45 Cb -0.22 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.43 3pcc s PRO 45 CO 0.23 -1.52 0.00 0.41 0.04 0.00 0.00 177.00 176.17 3pcc n GLY 46 N 0.22 0.55 3.60 0.56 0.00 -1.26 -4.63 105.19 104.24 3pcc n GLY 46 Ca 0.13 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.05 3.87 0.02 1.61 2.12 -1.26 -4.97 118.70 119.03 3pcc s GLU 47 Ca 0.00 0.55 -0.30 0.00 0.36 0.00 0.00 54.97 55.57 3pcc s GLU 47 Cb 0.00 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.56 3pcc s GLU 47 CO 0.00 -0.85 1.19 -1.01 -0.54 0.00 0.00 175.26 174.05 3pcc s HIS 48 N 3.24 3.36 0.12 5.30 3.76 -1.26 -1.30 115.29 128.51 3pcc s HIS 48 Ca 0.35 1.29 0.01 0.00 -0.15 0.00 0.00 55.06 56.56 3pcc s HIS 48 Cb -0.13 -3.40 -0.04 0.00 1.11 0.00 0.00 32.58 30.11 3pcc s HIS 48 CO 0.16 -1.22 -0.02 0.96 -0.85 0.00 0.00 174.74 173.77 3pcc s ILE 49 N 1.44 0.52 -0.09 0.60 -4.36 -0.31 -4.61 121.20 114.40 3pcc s ILE 49 Ca 0.57 -1.92 0.03 0.00 -0.26 0.00 0.00 60.65 59.07 3pcc s ILE 49 Cb -0.27 -1.83 -0.01 0.00 1.25 0.00 0.00 42.46 41.60 3pcc s ILE 49 CO 0.27 -0.73 -0.20 -0.22 0.24 0.00 0.00 174.94 174.31 3pcc s LEU 50 N -3.06 2.36 -0.06 0.37 2.96 -0.63 -2.37 118.68 118.25 3pcc s LEU 50 Ca 0.16 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3pcc s LEU 50 Cb 0.06 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.25 3pcc s LEU 50 CO -0.02 0.20 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.31 3pcc s LEU 51 N 0.09 2.73 0.09 -0.68 1.43 0.34 -1.03 118.68 121.65 3pcc s LEU 51 Ca -0.09 -0.22 -0.19 0.00 -1.03 0.00 0.00 54.13 52.60 3pcc s LEU 51 Cb -0.15 -1.56 0.05 0.00 0.03 0.00 0.00 46.19 44.55 3pcc s LEU 51 CO 0.06 0.32 0.47 -1.48 0.23 0.00 0.00 176.35 175.94 3pcc s LEU 52 N -0.57 0.12 -0.08 1.79 -0.00 -0.92 -0.70 118.68 118.33 3pcc s LEU 52 Ca 0.08 -0.05 -0.31 0.00 -0.00 0.00 0.00 54.13 53.85 3pcc s LEU 52 Cb -0.11 2.01 0.13 0.00 -0.00 0.00 0.00 46.19 48.21 3pcc s LEU 52 CO 0.01 -0.78 1.39 -0.83 -0.00 0.00 0.00 176.35 176.13 3pcc s GLY 53 N -2.35 -0.37 0.29 -3.48 0.00 -0.99 -0.65 107.32 99.76 3pcc s GLY 53 Ca -0.02 0.61 0.08 0.00 0.00 0.00 0.00 44.72 45.39 3pcc s GLY 53 CO -0.07 2.61 -0.10 1.20 0.00 0.00 0.00 173.10 176.74 3pcc s GLN 54 N -2.07 1.61 -0.06 2.90 -0.21 -1.26 -1.14 119.66 119.43 3pcc s GLN 54 Ca 0.21 -1.80 0.02 0.00 0.02 0.00 0.00 55.36 53.82 3pcc s GLN 54 Cb 0.04 -1.39 0.01 0.00 1.00 0.00 0.00 33.01 32.68 3pcc s GLN 54 CO -0.05 0.13 -0.12 0.08 -2.12 0.00 0.00 175.29 173.21 3pcc s VAL 55 N -2.83 1.08 0.07 1.09 1.01 -1.26 -0.88 120.40 118.68 3pcc s VAL 55 Ca 0.29 -0.45 0.09 0.00 0.00 0.00 0.00 61.98 61.92 3pcc s VAL 55 Cb 0.02 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 3pcc s VAL 55 CO 0.13 0.34 -0.24 -0.31 0.00 0.00 0.00 175.10 175.02 3pcc s TYR 56 N 0.66 2.38 0.78 5.22 2.02 -0.14 -0.66 117.35 127.61 3pcc s TYR 56 Ca -0.14 -0.37 -0.03 0.00 -0.37 0.00 0.00 57.07 56.17 3pcc s TYR 56 Cb -0.16 -1.37 0.16 0.00 -0.40 0.00 0.00 41.96 40.19 3pcc s TYR 56 CO 0.03 0.22 1.07 0.16 -1.57 0.00 0.00 175.55 175.47 3pcc s ASP 57 N -1.52 3.98 0.24 2.29 1.47 0.01 -1.73 116.67 121.40 3pcc s ASP 57 Ca 0.13 -0.42 0.20 0.00 1.18 0.00 0.00 52.55 53.64 3pcc s ASP 57 Cb -0.10 0.21 0.94 0.00 -0.34 0.00 0.00 42.92 43.62 3pcc s ASP 57 CO 0.04 -2.13 1.60 0.61 0.68 0.00 0.00 175.17 175.97 3pcc n GLY 58 N -3.04 -1.01 0.96 2.12 0.00 -1.26 -1.11 105.19 101.86 3pcc n GLY 58 Ca 0.17 0.11 0.12 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 2.95 -0.41 1.61 3.02 -1.26 -4.80 115.26 114.25 3pcc n ASN 59 Ca 0.01 -1.94 -0.04 0.00 -0.03 0.00 0.00 54.58 52.58 3pcc n ASN 59 Cb 0.12 -0.10 -0.01 0.00 -0.61 0.00 0.00 39.78 39.18 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 1.38 0.50 3.80 7.41 0.00 -0.27 -5.03 105.19 112.98 3pcc n GLY 60 Ca 0.17 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.19 3.35 0.37 1.61 3.76 -1.26 -4.83 115.29 116.10 3pcc s HIS 61 Ca 0.00 0.28 -0.28 0.00 -0.15 0.00 0.00 55.06 54.91 3pcc s HIS 61 Cb 0.00 -1.79 -0.10 0.00 1.11 0.00 0.00 32.58 31.80 3pcc s HIS 61 CO 0.00 0.58 1.40 -0.51 -0.85 0.00 0.00 174.74 175.37 3pcc s LEU 62 N -1.55 4.34 -0.46 0.89 1.43 -1.26 -0.81 118.68 121.26 3pcc s LEU 62 Ca 0.21 2.88 -0.14 0.00 -1.03 0.00 0.00 54.13 56.05 3pcc s LEU 62 Cb -0.12 -3.69 0.07 0.00 0.03 0.00 0.00 46.19 42.48 3pcc s LEU 62 CO 0.12 -0.76 0.36 -0.69 0.23 0.00 0.00 176.35 175.61 3pcc s VAL 63 N -1.14 5.02 -2.12 -1.59 1.01 0.16 -4.85 120.40 116.90 3pcc s VAL 63 Ca 0.52 -1.11 0.17 0.00 0.00 0.00 0.00 61.98 61.56 3pcc s VAL 63 Cb -0.43 -4.00 0.44 0.00 0.00 0.00 0.00 36.38 32.38 3pcc s VAL 63 CO 0.58 -0.55 1.40 0.54 0.00 0.00 0.00 175.10 177.08 3pcc n ARG 64 N 5.14 2.10 -0.31 2.72 1.74 -1.26 -4.11 116.66 122.68 3pcc n ARG 64 Ca -0.12 -1.70 0.06 0.00 -0.77 0.00 0.00 57.85 55.33 3pcc n ARG 64 Cb 0.44 -1.40 0.10 0.00 -1.02 0.00 0.00 32.46 30.58 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 0.89 1.55 -4.79 0.55 5.68 -1.26 -3.82 116.55 115.34 3pcc n ASP 65 Ca 0.17 -2.80 -0.34 0.00 -0.50 0.00 0.00 54.79 51.32 3pcc n ASP 65 Cb 0.42 -0.37 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 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 -2.33 5.84 -0.08 -1.12 1.04 -1.26 -4.61 113.70 111.18 3pcc s SER 66 Ca 0.23 1.95 0.00 0.00 0.48 0.00 0.00 55.95 58.62 3pcc s SER 66 Cb 0.21 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.80 3pcc s SER 66 CO 0.00 -1.13 -0.05 0.12 0.98 0.00 0.00 173.24 173.16 3pcc s PHE 67 N -2.15 1.07 0.03 5.02 5.36 0.08 -2.31 117.98 125.08 3pcc s PHE 67 Ca 0.67 -0.42 0.08 0.00 -0.96 0.00 0.00 56.93 56.30 3pcc s PHE 67 Cb -0.18 -0.95 -0.02 0.00 -0.34 0.00 0.00 43.02 41.52 3pcc s PHE 67 CO 0.30 -0.35 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.97 3pcc s LEU 68 N 1.43 2.13 -0.06 6.12 1.02 -0.20 -0.45 118.68 128.68 3pcc s LEU 68 Ca -0.02 -0.52 0.04 0.00 0.02 0.00 0.00 54.13 53.66 3pcc s LEU 68 Cb -0.13 -1.15 -0.00 0.00 0.02 0.00 0.00 46.19 44.93 3pcc s LEU 68 CO -0.04 0.23 -0.19 -1.61 0.02 0.00 0.00 176.35 174.77 3pcc s GLU 69 N -1.02 2.11 0.05 1.70 2.02 -0.60 -1.68 118.70 121.28 3pcc s GLU 69 Ca 0.09 -0.67 0.08 0.00 0.02 0.00 0.00 54.97 54.49 3pcc s GLU 69 Cb -0.09 -1.75 -0.03 0.00 0.10 0.00 0.00 34.13 32.36 3pcc s GLU 69 CO 0.01 0.22 -0.21 0.14 0.02 0.00 0.00 175.26 175.44 3pcc s VAL 70 N 0.16 1.71 -0.05 2.63 -7.23 -0.31 -1.07 120.40 116.24 3pcc s VAL 70 Ca -0.08 -1.24 -0.01 0.00 -1.81 0.00 0.00 61.98 58.84 3pcc s VAL 70 Cb -0.14 -1.49 0.03 0.00 0.56 0.00 0.00 36.38 35.34 3pcc s VAL 70 CO 0.04 0.20 0.00 0.86 -0.31 0.00 0.00 175.10 175.89 3pcc s TRP 71 N -0.82 0.49 0.09 2.82 -0.11 -0.55 -1.91 118.94 118.94 3pcc s TRP 71 Ca 0.08 -0.06 -0.16 0.00 1.22 0.00 0.00 56.10 57.18 3pcc s TRP 71 Cb -0.09 -0.62 0.03 0.00 -1.50 0.00 0.00 33.47 31.29 3pcc s TRP 71 CO 0.02 -0.23 0.37 1.14 -4.62 0.00 0.00 176.95 173.63 3pcc s GLN 72 N 1.58 0.98 0.65 5.86 -2.07 -0.41 -1.21 119.66 125.03 3pcc s GLN 72 Ca -0.02 -0.62 -0.11 0.00 -1.82 0.00 0.00 55.36 52.80 3pcc s GLN 72 Cb -0.13 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.20 3pcc s GLN 72 CO -0.03 -0.36 1.05 0.00 -1.32 0.00 0.00 175.29 174.63 3pcc s ALA 73 N -3.31 3.00 1.07 2.60 0.00 -1.26 -4.47 121.76 119.39 3pcc s ALA 73 Ca 0.00 -0.13 -0.11 0.00 0.00 0.00 0.00 51.96 51.72 3pcc s ALA 73 Cb 0.01 -3.08 0.16 0.00 0.00 0.00 0.00 23.12 20.21 3pcc s ALA 73 CO -0.08 -0.86 0.74 -0.40 0.00 0.00 0.00 175.76 175.16 3pcc n ASP 74 N -2.85 -0.76 0.30 0.00 5.68 0.33 -4.35 116.55 114.89 3pcc n ASP 74 Ca 0.06 -1.11 0.19 0.00 -0.50 0.00 0.00 54.79 53.44 3pcc n ASP 74 Cb 0.55 -0.61 0.90 0.00 -1.14 0.00 0.00 41.12 40.82 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 -2.15 1.00 -0.11 2.12 0.00 -1.82 0.21 119.26 118.51 3pcc h ALA 75 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3pcc h ALA 75 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3pcc h ALA 75 CO 0.17 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.51 3pcc n ASN 76 N -3.05 1.44 -0.07 0.00 3.02 -1.26 -3.65 115.26 111.69 3pcc n ASN 76 Ca -0.01 -1.61 -0.01 0.00 -0.03 0.00 0.00 54.58 52.93 3pcc n ASN 76 Cb 0.20 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.30 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 1.11 0.41 3.55 7.41 0.00 0.09 -4.80 105.19 112.97 3pcc n GLY 77 Ca 0.17 -1.00 -0.34 0.00 0.00 0.00 0.00 46.02 44.85 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 -2.62 2.83 -0.30 1.61 2.02 -1.25 -4.67 118.70 116.32 3pcc s GLU 78 Ca 0.00 -0.57 -0.20 0.00 0.02 0.00 0.00 54.97 54.22 3pcc s GLU 78 Cb 0.00 -2.60 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 3pcc s GLU 78 CO 0.00 0.60 0.61 0.71 0.02 0.00 0.00 175.26 177.20 3pcc s TYR 79 N -0.65 3.22 -0.73 1.61 2.02 -1.26 0.12 117.35 121.69 3pcc s TYR 79 Ca 0.10 0.58 -0.15 0.00 -0.37 0.00 0.00 57.07 57.22 3pcc s TYR 79 Cb -0.11 -2.94 0.17 0.00 -0.40 0.00 0.00 41.96 38.68 3pcc s TYR 79 CO 0.02 -0.45 0.71 -0.65 -1.57 0.00 0.00 175.55 173.61 3pcc s GLN 80 N 2.55 3.36 0.33 -0.62 -1.52 -1.26 -4.92 119.66 117.59 3pcc s GLN 80 Ca 0.24 -2.08 0.21 0.00 -1.95 0.00 0.00 55.36 51.78 3pcc s GLN 80 Cb -0.15 -4.41 0.18 0.00 -0.22 0.00 0.00 33.01 28.41 3pcc s GLN 80 CO 0.11 -1.36 1.41 0.38 -0.25 0.00 0.00 175.29 175.59 3pcc h ASP 81 N 8.32 0.00 -1.64 5.90 2.03 -1.98 -3.24 116.42 125.81 3pcc h ASP 81 Ca -0.05 0.00 -0.59 0.00 -0.73 0.00 0.00 57.03 55.66 3pcc h ASP 81 Cb 1.06 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 39.46 3pcc h ASP 81 CO 0.90 0.16 1.28 0.00 -1.03 0.00 0.00 179.24 180.55 3pcc s ALA 82 N -3.16 2.78 0.07 4.15 0.00 -1.26 -4.97 121.76 119.37 3pcc s ALA 82 Ca 0.04 -2.00 -0.31 0.00 0.00 0.00 0.00 51.96 49.70 3pcc s ALA 82 Cb 0.07 -4.39 -0.08 0.00 0.00 0.00 0.00 23.12 18.72 3pcc s ALA 82 CO 0.72 -3.44 1.59 -0.47 0.00 0.00 0.00 175.76 174.15 3pcc s TYR 83 N 5.04 2.59 -0.26 0.00 5.04 -1.26 -5.00 117.35 123.51 3pcc s TYR 83 Ca 0.41 0.47 -0.14 0.00 -2.44 0.00 0.00 57.07 55.36 3pcc s TYR 83 Cb -0.03 -3.89 0.08 0.00 0.35 0.00 0.00 41.96 38.46 3pcc s TYR 83 CO -0.01 -3.49 0.63 1.21 -1.34 0.00 0.00 175.55 172.54 3pcc s ASN 84 N 2.14 -0.86 0.28 4.32 3.84 -1.26 -5.02 114.94 118.38 3pcc s ASN 84 Ca 0.71 1.39 0.23 0.00 0.21 0.00 0.00 52.86 55.40 3pcc s ASN 84 Cb -0.38 1.31 1.04 0.00 -0.55 0.00 0.00 41.25 42.66 3pcc s ASN 84 CO 0.31 -0.23 1.69 0.18 -2.79 0.00 0.00 177.10 176.26 3pcc n LEU 85 N 4.37 0.64 0.18 3.21 4.77 -1.26 -1.44 117.00 127.47 3pcc n LEU 85 Ca -0.20 0.70 0.11 0.00 -0.03 0.00 0.00 56.01 56.59 3pcc n LEU 85 Cb 0.58 -0.65 0.11 0.00 -2.33 0.00 0.00 43.42 41.12 3pcc n LEU 85 CO -0.00 -0.68 0.54 -0.33 -1.33 0.00 0.00 177.39 175.58 3pcc h GLU 86 N 0.00 0.00 -7.19 3.23 5.08 -2.00 -3.47 114.58 110.24 3pcc h GLU 86 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3pcc h GLU 86 Cb 0.25 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.66 3pcc h GLU 86 CO 0.00 0.02 0.38 -0.80 -1.00 0.00 0.00 179.01 177.61 3pcc s ASN 87 N -5.95 4.17 0.29 1.42 0.01 -0.52 -4.91 114.94 109.46 3pcc s ASN 87 Ca 0.04 2.31 0.22 0.00 -0.71 0.00 0.00 52.86 54.73 3pcc s ASN 87 Cb 0.07 -2.58 0.13 0.00 0.41 0.00 0.00 41.25 39.27 3pcc s ASN 87 CO 0.71 -2.27 1.27 0.00 -1.51 0.00 0.00 177.10 175.30 3pcc h ALA 88 N -0.40 0.70 -3.21 0.60 0.00 -1.90 -3.44 119.26 111.60 3pcc h ALA 88 Ca -0.47 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.19 3pcc h ALA 88 Cb 1.29 0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.80 3pcc h ALA 88 CO 0.49 0.05 -0.52 0.12 0.00 0.00 0.00 179.25 179.40 3pcc s PHE 89 N -3.28 -0.23 -0.03 0.00 5.36 -1.26 0.11 117.98 118.66 3pcc s PHE 89 Ca 0.02 0.56 0.05 0.00 -0.96 0.00 0.00 56.93 56.61 3pcc s PHE 89 Cb 0.08 0.03 -0.01 0.00 -0.34 0.00 0.00 43.02 42.78 3pcc s PHE 89 CO 0.74 -0.15 -0.19 -0.80 -1.46 0.00 0.00 175.22 173.37 3pcc s ASN 90 N 0.61 2.29 0.22 6.13 0.01 0.58 -4.95 114.94 119.83 3pcc s ASN 90 Ca -0.04 -0.36 0.26 0.00 -0.71 0.00 0.00 52.86 52.00 3pcc s ASN 90 Cb -0.06 -0.40 0.82 0.00 0.41 0.00 0.00 41.25 42.02 3pcc s ASN 90 CO -0.03 0.21 1.77 -1.20 -1.51 0.00 0.00 177.10 176.34 3pcc n SER 91 N 2.79 0.83 -4.54 -1.22 7.64 -1.23 -4.70 113.62 113.20 3pcc n SER 91 Ca -0.16 0.59 -0.33 0.00 1.01 0.00 0.00 58.87 59.97 3pcc n SER 91 Cb 0.53 -0.81 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 3pcc n SER 91 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3pcc s PHE 92 N -3.13 2.83 0.26 1.43 5.36 -1.26 -1.29 117.98 122.18 3pcc s PHE 92 Ca 0.10 -0.06 -0.13 0.00 -0.96 0.00 0.00 56.93 55.89 3pcc s PHE 92 Cb 0.12 -1.67 -0.00 0.00 -0.34 0.00 0.00 43.02 41.12 3pcc s PHE 92 CO 0.58 0.27 0.49 0.20 -1.46 0.00 0.00 175.22 175.30 3pcc s GLY 93 N -0.77 0.55 0.02 13.12 0.00 -0.80 -4.84 107.32 114.60 3pcc s GLY 93 Ca 0.12 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.97 3pcc s GLY 93 CO 0.01 -0.62 -0.06 0.50 0.00 0.00 0.00 173.10 172.93 3pcc s ARG 94 N -3.93 0.45 0.19 2.90 0.52 -0.83 -1.16 118.95 117.09 3pcc s ARG 94 Ca 0.22 -0.52 -0.13 0.00 -0.52 0.00 0.00 55.73 54.79 3pcc s ARG 94 Cb -0.01 -0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.17 3pcc s ARG 94 CO 0.10 0.06 0.40 -0.08 0.02 0.00 0.00 175.30 175.80 3pcc s THR 95 N -0.88 0.04 0.10 0.02 -1.32 -0.67 -0.84 115.64 112.08 3pcc s THR 95 Ca -0.06 -1.18 -0.17 0.00 -1.21 0.00 0.00 61.69 59.08 3pcc s THR 95 Cb -0.07 -1.80 0.03 0.00 -1.51 0.00 0.00 72.50 69.15 3pcc s THR 95 CO 0.00 -0.19 0.40 0.00 -2.21 0.00 0.00 174.62 172.62 3pcc s ALA 96 N -3.94 -0.94 -0.03 11.08 0.00 -1.26 -1.03 121.76 125.63 3pcc s ALA 96 Ca 0.15 0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.99 3pcc s ALA 96 Cb 0.01 0.57 -0.05 0.00 0.00 0.00 0.00 23.12 23.65 3pcc s ALA 96 CO 0.00 -0.58 0.50 0.95 0.00 0.00 0.00 175.76 176.64 3pcc s THR 97 N -3.35 5.02 0.18 0.00 -4.23 -0.98 -4.26 115.64 108.02 3pcc s THR 97 Ca 0.00 1.03 -0.33 0.00 -1.18 0.00 0.00 61.69 61.21 3pcc s THR 97 Cb 0.01 -3.83 -0.14 0.00 1.34 0.00 0.00 72.50 69.89 3pcc s THR 97 CO -0.09 0.45 1.53 0.35 -0.54 0.00 0.00 174.62 176.32 3pcc n THR 98 N 2.67 0.25 0.30 3.99 -2.24 -1.23 -4.50 114.28 113.52 3pcc n THR 98 Ca -0.09 -0.06 0.18 0.00 -2.27 0.00 0.00 64.05 61.81 3pcc n THR 98 Cb 0.52 -1.51 0.92 0.00 -2.10 0.00 0.00 70.33 68.15 3pcc n THR 98 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 3pcc h PHE 99 N 5.46 0.00 0.00 4.78 0.04 -1.96 -0.71 116.94 124.55 3pcc h PHE 99 Ca -0.45 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.32 3pcc h PHE 99 Cb 1.26 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.41 3pcc h PHE 99 CO 0.61 0.04 0.00 -0.40 -0.60 0.00 0.00 178.31 177.95 3pcc n ASP 100 N -3.28 0.00 0.03 2.17 5.75 -1.26 -4.74 116.55 115.22 3pcc n ASP 100 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.71 3pcc n ASP 100 Cb 0.19 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.42 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 0.93 -1.98 2.12 0.00 -1.97 -3.48 119.26 112.88 3pcc h ALA 101 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 3pcc h ALA 101 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.72 3pcc h ALA 101 CO 0.00 0.63 -0.13 0.41 0.00 0.00 0.00 179.25 180.16 3pcc n GLY 102 N -0.04 0.64 3.16 0.00 0.00 -0.27 -4.91 105.19 103.77 3pcc n GLY 102 Ca -0.02 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -5.16 1.46 0.26 1.61 2.12 -1.26 -4.37 118.70 113.36 3pcc s GLU 103 Ca 0.10 -0.61 0.07 0.00 0.36 0.00 0.00 54.97 54.89 3pcc s GLU 103 Cb -0.04 -1.38 -0.04 0.00 0.26 0.00 0.00 34.13 32.93 3pcc s GLU 103 CO 0.14 0.35 0.17 1.67 -0.54 0.00 0.00 175.26 177.05 3pcc s TRP 104 N -0.33 3.05 0.01 5.30 1.48 -0.29 -3.47 118.94 124.68 3pcc s TRP 104 Ca 0.05 -0.13 -0.09 0.00 -1.06 0.00 0.00 56.10 54.87 3pcc s TRP 104 Cb -0.07 -1.39 0.00 0.00 -1.16 0.00 0.00 33.47 30.85 3pcc s TRP 104 CO -0.00 0.52 0.17 0.95 -4.06 0.00 0.00 176.95 174.53 3pcc s THR 105 N -2.17 0.08 -0.01 0.66 -4.23 -1.26 -2.34 115.64 106.38 3pcc s THR 105 Ca 0.33 -0.70 -0.01 0.00 -1.18 0.00 0.00 61.69 60.13 3pcc s THR 105 Cb -0.08 -0.55 0.00 0.00 1.34 0.00 0.00 72.50 73.22 3pcc s THR 105 CO 0.24 -0.39 0.04 -0.22 -0.54 0.00 0.00 174.62 173.75 3pcc s LEU 106 N -1.50 1.84 -0.29 4.79 2.96 0.12 -4.86 118.68 121.74 3pcc s LEU 106 Ca -0.13 0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.81 3pcc s LEU 106 Cb -0.06 0.11 0.03 0.00 0.50 0.00 0.00 46.19 46.77 3pcc s LEU 106 CO 0.01 -0.02 0.02 -1.00 -1.32 0.00 0.00 176.35 174.05 3pcc s HIS 107 N 0.06 3.15 0.00 5.38 3.76 -0.16 -0.50 115.29 126.97 3pcc s HIS 107 Ca -0.00 -1.38 0.00 0.00 -0.15 0.00 0.00 55.06 53.52 3pcc s HIS 107 Cb -0.01 -2.16 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3pcc s HIS 107 CO -0.00 -0.69 0.00 -2.37 -0.85 0.00 0.00 174.74 170.83 3pcc n THR 108 N 4.75 0.00 -4.44 1.30 5.66 -1.00 -1.25 114.28 119.30 3pcc n THR 108 Ca -0.15 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.60 3pcc n THR 108 Cb 0.46 0.00 -0.11 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 -2.32 2.40 -0.03 1.08 -7.23 -1.26 -1.16 120.40 111.88 3pcc s VAL 109 Ca 0.00 -2.23 -0.30 0.00 -1.81 0.00 0.00 61.98 57.64 3pcc s VAL 109 Cb 0.00 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3pcc s VAL 109 CO 0.00 -0.27 1.40 -0.75 -0.31 0.00 0.00 175.10 175.17 3pcc s LYS 110 N -3.12 4.27 0.56 4.82 2.20 -0.42 -4.89 119.74 123.16 3pcc s LYS 110 Ca 0.25 1.94 -0.20 0.00 -0.36 0.00 0.00 55.97 57.61 3pcc s LYS 110 Cb -0.06 -3.64 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 3pcc s LYS 110 CO 0.12 -0.62 1.18 -1.25 -0.36 0.00 0.00 175.35 174.43 3pcc s PRO 111 N 2.71 3.22 0.97 4.03 0.04 -1.26 -4.25 135.00 140.46 3pcc s PRO 111 Ca 0.63 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.27 3pcc s PRO 111 Cb -0.30 -2.03 0.20 0.00 0.04 0.00 0.00 34.50 32.41 3pcc s PRO 111 CO 0.25 -0.99 1.30 0.20 0.04 0.00 0.00 177.00 177.80 3pcc s GLY 112 N -1.60 1.75 0.15 0.56 0.00 0.52 -4.74 107.32 103.96 3pcc s GLY 112 Ca 0.74 -1.15 -0.28 0.00 0.00 0.00 0.00 44.72 44.03 3pcc s GLY 112 CO 0.31 -0.39 0.86 0.14 0.00 0.00 0.00 173.10 174.03 3pcc s VAL 113 N -3.80 4.39 0.06 1.40 1.01 -1.26 -4.46 120.40 117.73 3pcc s VAL 113 Ca 0.73 1.88 0.07 0.00 0.00 0.00 0.00 61.98 64.66 3pcc s VAL 113 Cb -0.05 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3pcc s VAL 113 CO 0.53 0.44 -0.19 0.68 0.00 0.00 0.00 175.10 176.55 3pcc s VAL 114 N -0.66 1.54 0.30 2.92 -7.23 -1.26 -4.55 120.40 111.46 3pcc s VAL 114 Ca 0.40 -1.23 -0.08 0.00 -1.81 0.00 0.00 61.98 59.26 3pcc s VAL 114 Cb -0.23 -1.36 -0.06 0.00 0.56 0.00 0.00 36.38 35.28 3pcc s VAL 114 CO 0.28 0.09 0.61 0.20 -0.31 0.00 0.00 175.10 175.98 3pcc s ASN 115 N -1.34 6.54 0.89 4.85 0.01 -1.26 -0.53 114.94 124.10 3pcc s ASN 115 Ca 0.06 0.91 -0.12 0.00 -0.71 0.00 0.00 52.86 53.00 3pcc s ASN 115 Cb -0.09 -2.22 0.18 0.00 0.41 0.00 0.00 41.25 39.53 3pcc s ASN 115 CO 0.02 -0.21 1.23 0.54 -1.51 0.00 0.00 177.10 177.18 3pcc s ASN 116 N -2.87 3.46 0.44 -1.22 4.22 0.14 -4.87 114.94 114.24 3pcc s ASN 116 Ca 0.47 0.09 0.14 0.00 -2.14 0.00 0.00 52.86 51.42 3pcc s ASN 116 Cb -0.11 -0.22 1.03 0.00 1.28 0.00 0.00 41.25 43.23 3pcc s ASN 116 CO 0.27 -2.49 1.99 0.00 -2.04 0.00 0.00 177.10 174.83 3pcc h ALA 117 N -1.33 2.00 -0.00 3.54 0.00 -1.99 0.12 119.26 121.60 3pcc h ALA 117 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3pcc h ALA 117 Cb 1.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3pcc h ALA 117 CO 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.51 3pcc n ALA 118 N -2.52 2.62 -0.72 0.00 0.00 -1.26 -4.89 120.51 113.74 3pcc n ALA 118 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3pcc n ALA 118 Cb 0.34 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.81 0.65 3.76 0.00 0.00 0.41 -5.05 105.19 105.77 3pcc n GLY 119 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.06 5.18 0.31 1.61 1.01 -1.25 -4.76 120.40 120.43 3pcc s VAL 120 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 3pcc s VAL 120 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.55 3pcc s VAL 120 CO 0.00 0.42 1.34 -2.84 0.00 0.00 0.00 175.10 174.02 3pcc s PRO 121 N 0.06 4.33 0.03 2.72 0.02 -1.26 0.24 135.00 141.14 3pcc s PRO 121 Ca 0.22 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.49 3pcc s PRO 121 Cb -0.15 -3.08 -0.04 0.00 0.02 0.00 0.00 34.50 31.25 3pcc s PRO 121 CO 0.09 -0.26 0.12 -1.64 -0.33 0.00 0.00 177.00 174.99 3pcc s MET 122 N -1.43 3.15 0.79 5.54 -1.94 0.31 -4.43 119.30 121.28 3pcc s MET 122 Ca 0.52 -0.50 -0.11 0.00 -1.71 0.00 0.00 55.69 53.88 3pcc s MET 122 Cb -0.40 -2.90 0.07 0.00 2.01 0.00 0.00 34.83 33.61 3pcc s MET 122 CO 0.51 0.62 1.12 0.00 -0.01 0.00 0.00 175.02 177.26 3pcc s ALA 123 N -1.33 2.08 0.25 3.03 0.00 -1.26 -4.07 121.76 120.46 3pcc s ALA 123 Ca 0.28 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3pcc s ALA 123 Cb -0.12 -3.34 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3pcc s ALA 123 CO 0.20 -1.96 1.45 -2.30 0.00 0.00 0.00 175.76 173.14 3pcc n PRO 124 N -3.50 2.18 -3.49 0.00 -0.02 -1.26 -4.85 135.00 124.06 3pcc n PRO 124 Ca 0.10 0.77 -0.13 0.00 -2.02 0.00 0.00 63.50 62.22 3pcc n PRO 124 Cb 0.52 -2.46 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 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 -0.03 -0.51 -0.12 6.00 -3.43 -1.26 -4.32 115.29 111.62 3pcc s HIS 125 Ca 0.67 0.47 0.03 0.00 -0.80 0.00 0.00 55.06 55.43 3pcc s HIS 125 Cb -0.62 0.46 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 3pcc s HIS 125 CO 0.49 -0.75 -0.22 0.42 -2.00 0.00 0.00 174.74 172.68 3pcc s ILE 126 N -3.03 1.97 -0.20 -5.38 1.01 -0.57 -4.63 121.20 110.36 3pcc s ILE 126 Ca -0.02 -0.94 -0.28 0.00 0.00 0.00 0.00 60.65 59.41 3pcc s ILE 126 Cb -0.00 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.74 3pcc s ILE 126 CO -0.06 0.53 0.98 0.20 0.00 0.00 0.00 174.94 176.59 3pcc s ASN 127 N 0.68 7.07 0.01 3.58 0.01 -0.35 -0.71 114.94 125.22 3pcc s ASN 127 Ca -0.11 1.33 0.08 0.00 -0.71 0.00 0.00 52.86 53.45 3pcc s ASN 127 Cb -0.16 -2.52 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 3pcc s ASN 127 CO 0.02 -0.57 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.15 3pcc s ILE 128 N 2.79 2.17 -0.13 0.60 1.01 -0.23 -1.49 121.20 125.91 3pcc s ILE 128 Ca 0.43 -1.23 0.02 0.00 0.00 0.00 0.00 60.65 59.86 3pcc s ILE 128 Cb -0.16 -1.80 0.01 0.00 0.01 0.00 0.00 42.46 40.52 3pcc s ILE 128 CO 0.09 0.47 -0.19 -0.44 0.00 0.00 0.00 174.94 174.87 3pcc s SER 129 N -0.96 2.87 -0.14 3.58 0.01 -0.23 -1.07 113.70 117.76 3pcc s SER 129 Ca 0.11 -0.54 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 3pcc s SER 129 Cb -0.10 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 3pcc s SER 129 CO 0.01 0.05 -0.02 -0.22 0.41 0.00 0.00 173.24 173.47 3pcc s LEU 130 N 0.92 3.39 0.10 2.44 2.96 0.79 -1.56 118.68 127.73 3pcc s LEU 130 Ca -0.06 -0.04 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 3pcc s LEU 130 Cb -0.15 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3pcc s LEU 130 CO -0.03 0.22 -0.16 -0.36 -1.32 0.00 0.00 176.35 174.70 3pcc s PHE 131 N 0.08 1.42 0.00 5.38 0.40 0.40 -1.85 117.98 123.82 3pcc s PHE 131 Ca 0.01 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 55.85 3pcc s PHE 131 Cb -0.13 -0.77 0.00 0.00 0.51 0.00 0.00 43.02 42.63 3pcc s PHE 131 CO 0.02 0.13 0.00 0.00 0.70 0.00 0.00 175.22 176.07 3pcc n ALA 132 N 0.94 0.00 -1.82 5.36 0.00 -1.26 -0.74 120.51 122.98 3pcc n ALA 132 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.85 3pcc n ALA 132 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 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 4.39 0.00 0.00 1.70 -1.25 -1.64 118.95 120.15 3pcc s ARG 133 Ca 0.00 2.14 0.00 0.00 -0.47 0.00 0.00 55.73 57.40 3pcc s ARG 133 Cb 0.00 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.27 3pcc s ARG 133 CO 0.00 -0.17 0.00 0.41 -1.08 0.00 0.00 175.30 174.46 3pcc n GLY 134 N 1.26 2.26 3.29 3.88 0.00 -1.26 -4.97 105.19 109.65 3pcc n GLY 134 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.32 4.35 0.15 -0.61 1.01 -0.65 -4.98 121.20 118.16 3pcc s ILE 135 Ca 0.00 -1.29 -0.12 0.00 0.00 0.00 0.00 60.65 59.24 3pcc s ILE 135 Cb 0.00 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.88 3pcc s ILE 135 CO 0.00 -0.47 1.62 0.78 0.00 0.00 0.00 174.94 176.88 3pcc h ASN 136 N 8.43 0.86 -3.70 3.58 2.35 -1.91 -3.35 115.58 121.85 3pcc h ASN 136 Ca -0.24 -0.29 -0.39 0.00 -0.55 0.00 0.00 56.30 54.83 3pcc h ASN 136 Cb 1.09 -0.23 -0.31 0.00 0.05 0.00 0.00 38.32 38.91 3pcc h ASN 136 CO 0.75 0.93 -0.77 -0.51 -1.65 0.00 0.00 177.43 176.18 3pcc s ILE 137 N -5.09 0.58 0.70 2.81 2.07 -1.26 -3.31 121.20 117.69 3pcc s ILE 137 Ca -0.12 -0.23 -0.16 0.00 -1.41 0.00 0.00 60.65 58.73 3pcc s ILE 137 Cb 0.12 -0.55 -0.00 0.00 0.13 0.00 0.00 42.46 42.16 3pcc s ILE 137 CO 0.82 0.20 1.00 0.00 -1.91 0.00 0.00 174.94 175.06 3pcc n HIS 138 N 3.51 0.83 -3.84 3.50 1.44 -1.26 -5.01 115.22 114.38 3pcc n HIS 138 Ca -0.20 0.40 -0.36 0.00 -2.01 0.00 0.00 57.72 55.56 3pcc n HIS 138 Cb 0.54 -2.11 -0.08 0.00 0.12 0.00 0.00 29.99 28.46 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 -3.12 4.19 -0.16 2.39 1.43 -0.77 -4.91 118.68 117.72 3pcc s LEU 139 Ca 0.75 0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 3pcc s LEU 139 Cb -0.36 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.77 3pcc s LEU 139 CO 0.49 0.26 0.07 -1.00 0.23 0.00 0.00 176.35 176.40 3pcc s HIS 140 N -0.15 3.31 0.27 0.29 3.76 -1.26 -0.15 115.29 121.36 3pcc s HIS 140 Ca 0.10 0.18 -0.11 0.00 -0.15 0.00 0.00 55.06 55.08 3pcc s HIS 140 Cb -0.12 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.55 3pcc s HIS 140 CO 0.00 0.30 0.48 -0.08 -0.85 0.00 0.00 174.74 174.59 3pcc s THR 141 N -0.01 0.00 0.04 1.30 -1.32 -0.23 -0.74 115.64 114.68 3pcc s THR 141 Ca 0.07 -1.45 0.05 0.00 -1.21 0.00 0.00 61.69 59.15 3pcc s THR 141 Cb -0.12 -2.33 -0.02 0.00 -1.51 0.00 0.00 72.50 68.52 3pcc s THR 141 CO 0.01 0.00 -0.16 -0.13 -2.21 0.00 0.00 174.62 172.13 3pcc s ARG 142 N -3.76 1.03 -0.23 7.08 0.52 -1.26 -1.07 118.95 121.26 3pcc s ARG 142 Ca 0.24 -0.80 -0.06 0.00 -0.52 0.00 0.00 55.73 54.59 3pcc s ARG 142 Cb -0.01 -1.07 -0.03 0.00 0.52 0.00 0.00 34.95 34.37 3pcc s ARG 142 CO 0.11 0.27 0.03 -1.17 0.02 0.00 0.00 175.30 174.56 3pcc s LEU 143 N -1.15 3.34 0.40 2.53 0.20 0.11 -4.78 118.68 119.33 3pcc s LEU 143 Ca 0.03 -0.21 0.08 0.00 0.69 0.00 0.00 54.13 54.71 3pcc s LEU 143 Cb -0.08 -1.87 -0.05 0.00 -0.43 0.00 0.00 46.19 43.76 3pcc s LEU 143 CO 0.01 0.01 0.17 -0.31 -0.29 0.00 0.00 176.35 175.95 3pcc s TYR 144 N 1.33 2.62 -0.09 5.38 1.51 -0.10 -1.52 117.35 126.48 3pcc s TYR 144 Ca 0.05 -0.54 0.02 0.00 -1.01 0.00 0.00 57.07 55.58 3pcc s TYR 144 Cb -0.15 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3pcc s TYR 144 CO 0.02 0.21 -0.16 -0.06 -1.11 0.00 0.00 175.55 174.45 3pcc s PHE 145 N -2.56 2.71 0.48 2.71 0.40 -1.26 0.55 117.98 121.00 3pcc s PHE 145 Ca 0.41 -0.52 0.24 0.00 -0.60 0.00 0.00 56.93 56.46 3pcc s PHE 145 Cb 0.02 -1.73 1.42 0.00 0.51 0.00 0.00 43.02 43.24 3pcc s PHE 145 CO 0.23 -0.09 2.11 0.38 0.70 0.00 0.00 175.22 178.54 3pcc h ASP 146 N 6.17 0.00 -0.10 1.36 2.03 -1.64 -1.89 116.42 122.34 3pcc h ASP 146 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 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 0.52 0.10 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 3pcc n ASP 147 N -3.94 0.69 -0.88 4.15 5.75 -1.26 -3.50 116.55 117.54 3pcc n ASP 147 Ca -0.02 -2.02 0.02 0.00 -0.01 0.00 0.00 54.79 52.76 3pcc n ASP 147 Cb 0.19 -0.12 0.17 0.00 -1.03 0.00 0.00 41.12 40.32 3pcc n ASP 147 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3pcc n GLU 148 N -0.16 1.77 -0.37 0.11 -0.58 -0.71 -4.87 120.64 115.82 3pcc n GLU 148 Ca 0.04 -3.34 0.29 0.00 -0.42 0.00 0.00 57.16 53.72 3pcc n GLU 148 Cb 0.12 -1.60 0.56 0.00 -0.57 0.00 0.00 31.44 29.95 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 1.18 2.36 -0.00 0.62 0.00 -1.73 0.09 119.26 121.77 3pcc h ALA 149 Ca 0.03 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3pcc h ALA 149 Cb 1.14 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 3pcc h ALA 149 CO 0.11 -0.92 -0.00 1.96 0.00 0.00 0.00 179.25 180.41 3pcc h GLN 150 N 0.24 0.01 -0.45 0.00 4.20 -1.93 -2.13 115.11 115.05 3pcc h GLN 150 Ca 0.73 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.39 3pcc h GLN 150 Cb 1.99 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 29.76 3pcc h GLN 150 CO -0.44 0.36 0.10 0.00 -0.67 0.00 0.00 178.83 178.18 3pcc h ALA 151 N 0.65 0.59 -0.67 3.87 0.00 -1.60 -3.10 119.26 119.00 3pcc h ALA 151 Ca 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.80 3pcc h ALA 151 Cb 0.35 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 3pcc h ALA 151 CO 0.00 0.29 0.29 -0.91 0.00 0.00 0.00 179.25 178.92 3pcc h ASN 152 N 0.60 0.34 0.19 0.00 2.35 -1.03 -1.71 115.58 116.31 3pcc h ASN 152 Ca 0.14 0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3pcc h ASN 152 Cb 0.34 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 3pcc h ASN 152 CO 0.00 0.19 -0.09 0.00 -1.65 0.00 0.00 177.43 175.88 3pcc h ALA 153 N 1.44 1.50 -0.03 -0.83 0.00 -1.30 -2.64 119.26 117.40 3pcc h ALA 153 Ca 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3pcc h ALA 153 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3pcc h ALA 153 CO -0.30 0.11 -0.07 1.63 0.00 0.00 0.00 179.25 180.62 3pcc n LYS 154 N -3.92 2.15 -2.02 0.00 4.76 -0.69 -4.95 118.16 113.47 3pcc n LYS 154 Ca -0.02 -1.76 -0.42 0.00 -2.87 0.00 0.00 58.31 53.23 3pcc n LYS 154 Cb 0.18 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.88 3pcc n LYS 154 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3pcc h PRO 156 N 8.19 0.00 0.00 0.00 0.13 -1.92 -1.04 132.00 137.36 3pcc h PRO 156 Ca -0.41 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.61 3pcc h PRO 156 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 3pcc h PRO 156 CO 0.92 0.00 -0.61 0.28 -0.23 0.00 0.00 178.00 178.36 3pcc h VAL 157 N 0.00 1.15 -0.85 1.56 2.07 -1.93 -3.25 116.25 114.99 3pcc h VAL 157 Ca 0.00 -2.09 0.09 0.00 0.82 0.00 0.00 66.70 65.53 3pcc h VAL 157 Cb 0.35 2.39 -0.06 0.00 -1.52 0.00 0.00 31.29 32.45 3pcc h VAL 157 CO 0.00 0.39 0.55 0.25 0.02 0.00 0.00 177.57 178.78 3pcc h LEU 158 N -1.00 0.75 -0.64 2.57 5.85 -1.87 -1.12 115.31 119.84 3pcc h LEU 158 Ca -0.16 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3pcc h LEU 158 Cb 1.04 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.93 3pcc h LEU 158 CO -0.10 0.44 0.00 0.59 -0.34 0.00 0.00 178.44 179.04 3pcc n ASN 159 N -4.52 0.56 0.16 1.25 3.02 -0.40 -2.31 115.26 113.03 3pcc n ASN 159 Ca 0.14 0.65 0.04 0.00 -0.03 0.00 0.00 54.58 55.38 3pcc n ASN 159 Cb 0.31 -0.76 0.16 0.00 -0.61 0.00 0.00 39.78 38.87 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 -8.69 3.41 3.38 -1.23 -3.42 115.31 108.76 3pcc h LEU 160 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 3pcc h LEU 160 Cb 0.32 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3pcc h LEU 160 CO 0.00 0.45 1.18 -0.63 0.09 0.00 0.00 178.44 179.53 3pcc s ILE 161 N -3.21 3.66 0.21 1.22 1.01 -0.98 -4.91 121.20 118.20 3pcc s ILE 161 Ca 0.02 0.59 -0.15 0.00 0.00 0.00 0.00 60.65 61.12 3pcc s ILE 161 Cb 0.09 -4.09 0.23 0.00 0.01 0.00 0.00 42.46 38.70 3pcc s ILE 161 CO 0.72 -0.83 1.61 -0.33 0.00 0.00 0.00 174.94 176.10 3pcc h GLU 162 N 12.16 -0.04 -5.08 2.79 5.08 -1.88 -3.40 114.58 124.22 3pcc h GLU 162 Ca -0.29 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.44 3pcc h GLU 162 Cb 1.13 0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.23 3pcc h GLU 162 CO 1.13 -0.03 -0.27 -0.65 -1.00 0.00 0.00 179.01 178.19 3pcc s GLN 163 N -6.18 3.87 0.29 2.33 -1.52 -1.26 -4.98 119.66 112.20 3pcc s GLN 163 Ca -0.14 -0.13 0.03 0.00 -1.95 0.00 0.00 55.36 53.16 3pcc s GLN 163 Cb 0.19 -3.70 0.70 0.00 -0.22 0.00 0.00 33.01 29.97 3pcc s GLN 163 CO 0.73 -0.35 1.70 -1.35 -0.25 0.00 0.00 175.29 175.76 3pcc h PRO 164 N 8.29 0.39 -0.49 2.91 0.11 -1.98 -0.06 132.00 141.17 3pcc h PRO 164 Ca -0.31 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.85 3pcc h PRO 164 Cb 1.16 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3pcc h PRO 164 CO 0.65 0.26 0.33 1.96 -0.21 0.00 0.00 178.00 180.99 3pcc h GLN 165 N 0.40 0.34 -0.05 1.05 7.50 -1.95 -2.32 115.11 120.08 3pcc h GLN 165 Ca 0.54 -0.02 -0.15 0.00 0.50 0.00 0.00 58.65 59.52 3pcc h GLN 165 Cb 1.01 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 28.45 3pcc h GLN 165 CO -0.52 0.22 -0.64 0.00 -1.50 0.00 0.00 178.83 176.39 3pcc h ARG 166 N 0.35 0.20 -1.00 1.46 3.08 -1.40 -3.11 114.38 113.96 3pcc h ARG 166 Ca 0.22 -0.15 0.08 0.00 0.07 0.00 0.00 59.98 60.21 3pcc h ARG 166 Cb 0.42 0.03 -0.07 0.00 0.08 0.00 0.00 29.97 30.42 3pcc h ARG 166 CO -0.05 0.77 0.64 0.00 -1.07 0.00 0.00 179.97 180.26 3pcc h ARG 167 N 0.14 1.09 -0.49 0.04 3.08 -1.37 -1.79 114.38 115.08 3pcc h ARG 167 Ca -0.01 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.04 3pcc h ARG 167 Cb 1.16 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3pcc h ARG 167 CO 0.10 0.72 0.33 0.93 -1.07 0.00 0.00 179.97 180.97 3pcc h GLU 168 N 1.12 0.36 -0.01 0.04 5.08 -1.52 -1.27 114.58 118.38 3pcc h GLU 168 Ca 0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 3pcc h GLU 168 Cb 0.26 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3pcc h GLU 168 CO -0.20 0.24 0.08 1.79 -1.00 0.00 0.00 179.01 179.91 3pcc h THR 169 N 0.37 0.07 -0.01 1.13 1.35 -1.47 -1.65 112.91 112.71 3pcc h THR 169 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.08 3pcc h THR 169 Cb 0.38 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3pcc h THR 169 CO -0.05 0.00 -0.28 0.18 -0.25 0.00 0.00 175.52 175.12 3pcc n LEU 170 N -3.14 0.99 -4.58 3.87 4.77 -0.48 -4.81 117.00 113.61 3pcc n LEU 170 Ca -0.03 -0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.31 3pcc n LEU 170 Cb 0.15 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.02 3pcc n LEU 170 CO 0.20 0.19 0.12 -0.63 -1.33 0.00 0.00 177.39 175.93 3pcc s ILE 171 N -2.54 5.13 0.32 -0.08 1.01 -0.62 -0.93 121.20 123.48 3pcc s ILE 171 Ca 0.23 0.46 -0.27 0.00 0.00 0.00 0.00 60.65 61.07 3pcc s ILE 171 Cb 0.19 -3.79 -0.09 0.00 0.01 0.00 0.00 42.46 38.77 3pcc s ILE 171 CO 0.54 0.02 1.04 0.00 0.00 0.00 0.00 174.94 176.54 3pcc s ALA 172 N 2.16 3.27 -0.33 9.38 0.00 0.19 -4.83 121.76 131.60 3pcc s ALA 172 Ca 0.16 0.75 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 3pcc s ALA 172 Cb -0.16 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 3pcc s ALA 172 CO 0.11 -0.08 0.40 0.15 0.00 0.00 0.00 175.76 176.34 3pcc s LYS 173 N -1.81 3.64 0.30 0.00 1.02 -0.28 -1.67 119.74 120.94 3pcc s LYS 173 Ca 0.49 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.89 3pcc s LYS 173 Cb -0.26 -3.79 -0.11 0.00 -0.52 0.00 0.00 37.83 33.15 3pcc s LYS 173 CO 0.33 -0.52 1.48 0.50 -0.92 0.00 0.00 175.35 176.22 3pcc s ARG 174 N 2.12 4.20 0.00 1.68 3.52 -1.26 -0.86 118.95 128.35 3pcc s ARG 174 Ca 0.14 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.17 3pcc s ARG 174 Cb -0.16 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.18 3pcc s ARG 174 CO 0.12 -0.48 0.00 0.00 -0.81 0.00 0.00 175.30 174.13 3pcc s GLU 176 N 0.15 0.24 -0.17 0.00 2.56 -1.26 -1.81 118.70 118.42 3pcc s GLU 176 Ca 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 54.97 55.08 3pcc s GLU 176 Cb 0.00 0.11 0.05 0.00 2.00 0.00 0.00 34.13 36.29 3pcc s GLU 176 CO 0.00 -0.04 0.02 0.08 -0.56 0.00 0.00 175.26 174.77 3pcc s VAL 177 N -0.13 0.53 -1.22 3.70 1.01 0.33 -4.75 120.40 119.87 3pcc s VAL 177 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 3pcc s VAL 177 Cb -0.02 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 3pcc s VAL 177 CO 0.00 -0.11 0.77 0.47 0.00 0.00 0.00 175.10 176.23 3pcc n ASP 178 N 5.06 -3.18 -2.16 3.32 8.00 -1.26 -0.82 116.55 125.51 3pcc n ASP 178 Ca -0.09 -0.84 -0.13 0.00 0.71 0.00 0.00 54.79 54.44 3pcc n ASP 178 Cb 0.48 -4.12 -0.02 0.00 -0.02 0.00 0.00 41.12 37.44 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 -1.53 -0.06 3.61 0.44 0.00 -1.26 -4.95 105.19 101.44 3pcc n GLY 179 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.52 2.82 0.07 1.61 2.47 0.00 -5.07 119.74 117.13 3pcc s LYS 180 Ca 0.00 -0.51 -0.31 0.00 -1.56 0.00 0.00 55.97 53.59 3pcc s LYS 180 Cb 0.00 -2.65 -0.07 0.00 -1.46 0.00 0.00 37.83 33.65 3pcc s LYS 180 CO 0.00 0.67 1.48 0.99 0.16 0.00 0.00 175.35 178.66 3pcc s THR 181 N -0.82 3.30 0.06 3.43 2.01 -1.26 0.12 115.64 122.48 3pcc s THR 181 Ca 0.12 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.94 3pcc s THR 181 Cb -0.11 -3.52 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3pcc s THR 181 CO 0.02 0.02 -0.04 0.00 -0.69 0.00 0.00 174.62 173.93 3pcc s ALA 182 N 1.97 0.60 -0.01 7.40 0.00 -0.75 -1.60 121.76 129.36 3pcc s ALA 182 Ca 0.67 -1.16 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3pcc s ALA 182 Cb -0.37 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 3pcc s ALA 182 CO 0.30 -0.29 -0.06 0.71 0.00 0.00 0.00 175.76 176.41 3pcc s TYR 183 N -3.44 0.62 -0.11 0.00 1.51 -0.19 0.82 117.35 116.56 3pcc s TYR 183 Ca 0.05 -0.12 -0.04 0.00 -1.01 0.00 0.00 57.07 55.95 3pcc s TYR 183 Cb 0.04 -0.42 -0.03 0.00 -0.11 0.00 0.00 41.96 41.44 3pcc s TYR 183 CO -0.07 -0.03 0.02 0.50 -1.11 0.00 0.00 175.55 174.86 3pcc s ARG 184 N -0.02 3.27 -0.31 -0.62 3.52 -0.04 -2.16 118.95 122.59 3pcc s ARG 184 Ca 0.01 -0.38 -0.02 0.00 -0.13 0.00 0.00 55.73 55.20 3pcc s ARG 184 Cb -0.04 -2.92 0.12 0.00 -1.56 0.00 0.00 34.95 30.55 3pcc s ARG 184 CO -0.00 0.59 0.17 0.12 -0.81 0.00 0.00 175.30 175.37 3pcc s PHE 185 N -0.55 0.32 0.09 5.12 5.36 0.17 -1.13 117.98 127.35 3pcc s PHE 185 Ca 0.10 -0.99 -0.16 0.00 -0.96 0.00 0.00 56.93 54.91 3pcc s PHE 185 Cb -0.12 -0.84 -0.07 0.00 -0.34 0.00 0.00 43.02 41.66 3pcc s PHE 185 CO 0.02 -0.84 0.53 -0.51 -1.46 0.00 0.00 175.22 172.95 3pcc s ASP 186 N 1.85 6.92 -0.13 6.13 1.01 -1.26 -4.10 116.67 127.08 3pcc s ASP 186 Ca 0.12 1.13 -0.01 0.00 0.71 0.00 0.00 52.55 54.49 3pcc s ASP 186 Cb -0.18 -2.31 -0.02 0.00 1.01 0.00 0.00 42.92 41.43 3pcc s ASP 186 CO -0.26 0.22 -0.11 -0.63 0.21 0.00 0.00 175.17 174.60 3pcc s ILE 187 N -1.24 3.24 -0.33 0.77 1.01 -0.06 -4.96 121.20 119.63 3pcc s ILE 187 Ca 0.31 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3pcc s ILE 187 Cb -0.17 -2.37 0.09 0.00 0.01 0.00 0.00 42.46 40.01 3pcc s ILE 187 CO 0.18 0.52 0.03 -0.13 0.00 0.00 0.00 174.94 175.54 3pcc s ARG 188 N 0.34 1.87 0.30 2.79 0.52 -1.26 -0.97 118.95 122.55 3pcc s ARG 188 Ca -0.09 -1.67 -0.00 0.00 -0.52 0.00 0.00 55.73 53.45 3pcc s ARG 188 Cb -0.16 -3.19 0.50 0.00 0.52 0.00 0.00 34.95 32.63 3pcc s ARG 188 CO 0.05 -0.83 1.94 0.82 0.02 0.00 0.00 175.30 177.29 3pcc h ILE 189 N 6.59 1.12 -3.10 1.52 2.04 -1.64 0.91 117.51 124.95 3pcc h ILE 189 Ca -0.11 -0.36 -0.13 0.00 1.00 0.00 0.00 64.86 65.26 3pcc h ILE 189 Cb 1.03 -0.03 -0.21 0.00 -0.74 0.00 0.00 36.82 36.88 3pcc h ILE 189 CO 0.54 0.19 -0.32 -1.58 0.00 0.00 0.00 178.15 176.98 3pcc s GLN 190 N -5.90 0.60 1.07 2.37 0.74 -1.26 -4.74 119.66 112.53 3pcc s GLN 190 Ca -0.11 -0.14 0.00 0.00 0.05 0.00 0.00 55.36 55.16 3pcc s GLN 190 Cb 0.19 0.27 0.00 0.00 1.10 0.00 0.00 33.01 34.57 3pcc s GLN 190 CO 0.80 -0.15 0.00 0.41 -0.55 0.00 0.00 175.29 175.79 3pcc n GLY 191 N 1.52 -0.78 3.68 2.59 0.00 -1.26 -4.14 105.19 106.81 3pcc n GLY 191 Ca -0.21 -1.61 -0.51 0.00 0.00 0.00 0.00 46.02 43.69 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 1.73 -1.10 1.61 2.13 -1.26 0.02 120.64 123.76 3pcc n GLU 192 Ca 0.00 0.63 -0.04 0.00 0.66 0.00 0.00 57.16 58.41 3pcc n GLU 192 Cb 0.00 -2.39 -0.02 0.00 0.27 0.00 0.00 31.44 29.30 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 3.97 0.65 3.65 8.31 0.00 -1.26 -4.95 105.19 115.57 3pcc n GLY 193 Ca 0.23 -0.51 -0.54 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.50 1.22 -2.21 1.61 2.13 0.10 -4.60 120.64 116.39 3pcc n GLU 194 Ca -0.04 0.44 -0.39 0.00 0.66 0.00 0.00 57.16 57.84 3pcc n GLU 194 Cb 0.17 -2.12 -0.02 0.00 0.27 0.00 0.00 31.44 29.74 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 2.12 2.97 0.22 6.31 2.01 0.31 -4.96 115.64 124.61 3pcc s THR 195 Ca 0.91 0.86 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 3pcc s THR 195 Cb -0.99 -3.50 -0.09 0.00 0.01 0.00 0.00 72.50 67.93 3pcc s THR 195 CO 0.56 0.12 1.25 -0.69 -0.69 0.00 0.00 174.62 175.17 3pcc s VAL 196 N -1.32 3.30 0.02 3.82 1.01 -1.26 -4.94 120.40 121.03 3pcc s VAL 196 Ca 0.55 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.73 3pcc s VAL 196 Cb -0.34 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 3pcc s VAL 196 CO 0.43 0.19 -0.23 -0.36 0.00 0.00 0.00 175.10 175.14 3pcc s PHE 197 N -0.22 2.04 0.34 5.22 0.08 -1.26 -4.70 117.98 119.48 3pcc s PHE 197 Ca 0.53 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 57.27 3pcc s PHE 197 Cb -0.35 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 3pcc s PHE 197 CO 0.40 0.06 0.31 -0.06 -0.10 0.00 0.00 175.22 175.82 3pcc s PHE 198 N -0.71 2.92 -0.02 0.36 0.08 0.08 -4.99 117.98 115.69 3pcc s PHE 198 Ca 0.09 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.86 3pcc s PHE 198 Cb -0.09 -1.82 0.01 0.00 -0.57 0.00 0.00 43.02 40.55 3pcc s PHE 198 CO 0.01 0.17 -0.06 0.34 -0.10 0.00 0.00 175.22 175.58 3pcc s ASP 199 N -4.01 0.84 0.00 1.36 2.15 -1.26 -4.35 116.67 111.39 3pcc s ASP 199 Ca 0.41 -0.12 0.00 0.00 0.43 0.00 0.00 52.55 53.27 3pcc s ASP 199 Cb -0.06 -0.23 0.00 0.00 -0.30 0.00 0.00 42.92 42.33 3pcc s ASP 199 CO 0.27 0.03 0.00 2.22 -0.17 0.00 0.00 175.17 177.52