#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pcg s ILE 2 N 0.00 4.04 -0.11 4.25 -1.09 -1.26 -5.03 121.20 122.00 3pcg s ILE 2 Ca 0.00 1.66 0.03 0.00 -2.23 0.00 0.00 60.65 60.11 3pcg s ILE 2 Cb 0.00 -4.06 0.01 0.00 -1.58 0.00 0.00 42.46 36.83 3pcg s ILE 2 CO 0.00 0.24 -0.19 -1.61 -1.23 0.00 0.00 174.94 172.15 3pcg s GLU 3 N 0.04 2.58 0.67 2.79 0.41 -1.26 -5.14 118.70 118.79 3pcg s GLU 3 Ca 0.51 -0.70 0.03 0.00 -0.41 0.00 0.00 54.97 54.40 3pcg s GLU 3 Cb -0.28 -2.07 0.12 0.00 -1.78 0.00 0.00 34.13 30.12 3pcg s GLU 3 CO 0.33 0.04 0.93 -0.51 -0.49 0.00 0.00 175.26 175.55 3pcg s LEU 4 N 0.70 3.01 0.46 1.80 1.02 -1.26 -5.06 118.68 119.35 3pcg s LEU 4 Ca -0.12 -0.58 -0.24 0.00 0.02 0.00 0.00 54.13 53.21 3pcg s LEU 4 Cb -0.16 -1.78 -0.07 0.00 0.02 0.00 0.00 46.19 44.19 3pcg s LEU 4 CO 0.02 -1.70 1.27 -0.76 0.02 0.00 0.00 176.35 175.21 3pcg s LEU 5 N -4.98 4.06 0.32 1.79 1.43 -1.26 -4.97 118.68 115.08 3pcg s LEU 5 Ca 0.65 2.57 -0.26 0.00 -1.03 0.00 0.00 54.13 56.06 3pcg s LEU 5 Cb -0.05 -4.10 -0.10 0.00 0.03 0.00 0.00 46.19 41.97 3pcg s LEU 5 CO 0.43 -1.05 0.94 -2.16 0.23 0.00 0.00 176.35 174.74 3pcg s PRO 6 N -2.54 4.59 0.47 1.29 0.04 -1.26 -5.01 135.00 132.57 3pcg s PRO 6 Ca 0.62 1.33 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 3pcg s PRO 6 Cb -0.36 -2.81 -0.07 0.00 0.04 0.00 0.00 34.50 31.31 3pcg s PRO 6 CO 0.44 0.28 1.22 -2.00 0.04 0.00 0.00 177.00 176.99 3pcg s GLU 7 N -2.04 3.67 0.23 4.56 2.12 -1.26 -4.96 118.70 121.02 3pcg s GLU 7 Ca 0.50 1.92 -0.31 0.00 0.36 0.00 0.00 54.97 57.44 3pcg s GLU 7 Cb -0.19 -2.43 -0.11 0.00 0.26 0.00 0.00 34.13 31.67 3pcg s GLU 7 CO 0.24 -0.66 1.55 0.99 -0.54 0.00 0.00 175.26 176.84 3pcg s THR 8 N -1.45 2.43 0.47 -1.70 2.01 -1.26 -4.95 115.64 111.18 3pcg s THR 8 Ca 0.64 0.33 -0.22 0.00 0.31 0.00 0.00 61.69 62.75 3pcg s THR 8 Cb -0.32 -3.21 -0.07 0.00 0.01 0.00 0.00 72.50 68.90 3pcg s THR 8 CO 0.39 0.04 1.14 -2.16 -0.69 0.00 0.00 174.62 173.34 3pcg s PRO 9 N 0.27 3.74 0.64 4.92 0.05 -1.26 -5.03 135.00 138.32 3pcg s PRO 9 Ca 0.66 1.69 -0.12 0.00 0.05 0.00 0.00 61.00 63.27 3pcg s PRO 9 Cb -0.45 -2.33 -0.02 0.00 0.05 0.00 0.00 34.50 31.75 3pcg s PRO 9 CO 0.39 -0.55 1.04 0.45 0.05 0.00 0.00 177.00 178.39 3pcg s SER 10 N -1.50 5.79 -0.04 6.66 0.15 -1.26 -5.08 113.70 118.43 3pcg s SER 10 Ca 0.65 1.59 -0.09 0.00 0.70 0.00 0.00 55.95 58.80 3pcg s SER 10 Cb -0.26 -2.50 0.02 0.00 -1.71 0.00 0.00 66.02 61.57 3pcg s SER 10 CO 0.31 -1.16 0.22 -1.10 1.20 0.00 0.00 173.24 172.71 3pcg s GLN 11 N -4.82 0.43 0.72 5.44 -1.52 -1.17 -4.90 119.66 113.83 3pcg s GLN 11 Ca 0.58 -0.02 -0.16 0.00 -1.95 0.00 0.00 55.36 53.81 3pcg s GLN 11 Cb -0.13 0.19 -0.02 0.00 -0.22 0.00 0.00 33.01 32.83 3pcg s GLN 11 CO 0.49 -0.09 0.70 -2.37 -0.25 0.00 0.00 175.29 173.77 3pcg n THR 12 N 2.11 2.18 0.17 -0.19 5.66 -1.22 -4.78 114.28 118.20 3pcg n THR 12 Ca -0.18 -0.39 0.04 0.00 -3.05 0.00 0.00 64.05 60.47 3pcg n THR 12 Cb 0.57 -0.88 0.23 0.00 -1.55 0.00 0.00 70.33 68.70 3pcg n THR 12 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3pcg h ALA 13 N -0.31 0.88 -0.12 1.79 0.00 -1.73 -3.50 119.26 116.26 3pcg h ALA 13 Ca -0.46 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.05 3pcg h ALA 13 Cb 1.34 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3pcg h ALA 13 CO 0.44 0.57 -0.03 0.41 0.00 0.00 0.00 179.25 180.64 3pcg n GLY 14 N 0.54 -1.98 0.29 0.00 0.00 -1.26 -4.11 105.19 98.67 3pcg n GLY 14 Ca 0.00 -1.48 0.19 0.00 0.00 0.00 0.00 46.02 44.72 3pcg n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3pcg h PRO 15 N -0.05 0.00 -0.55 1.61 0.13 -1.93 -3.25 132.00 127.96 3pcg h PRO 15 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3pcg h PRO 15 Cb 0.05 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.16 3pcg h PRO 15 CO 0.00 0.00 0.04 0.66 -0.23 0.00 0.00 178.00 178.47 3pcg n TYR 16 N -3.09 1.95 -0.15 1.56 4.01 -1.26 -4.67 117.16 115.51 3pcg n TYR 16 Ca -0.00 -0.84 0.21 0.00 -0.16 0.00 0.00 57.90 57.11 3pcg n TYR 16 Cb 0.25 -0.51 0.61 0.00 -0.31 0.00 0.00 39.34 39.38 3pcg n TYR 16 CO 0.00 0.00 0.00 -0.24 -0.46 0.00 0.00 176.86 176.16 3pcg h VAL 17 N 3.40 0.69 -0.47 -0.72 3.04 -1.71 -1.64 116.25 118.84 3pcg h VAL 17 Ca 0.04 -0.07 0.03 0.00 -1.01 0.00 0.00 66.70 65.69 3pcg h VAL 17 Cb 1.95 0.46 -0.03 0.00 -2.01 0.00 0.00 31.29 31.67 3pcg h VAL 17 CO 0.49 0.04 0.31 0.45 -1.01 0.00 0.00 177.57 177.85 3pcg h HIS 18 N 0.21 0.50 -0.15 3.17 3.86 -1.85 0.39 115.15 121.28 3pcg h HIS 18 Ca 0.38 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.56 3pcg h HIS 18 Cb 1.19 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 3pcg h HIS 18 CO -0.00 0.30 -0.11 -0.84 0.86 0.00 0.00 177.93 178.13 3pcg h ILE 19 N 0.52 1.17 0.02 2.45 3.07 -1.52 0.54 117.51 123.76 3pcg h ILE 19 Ca 0.19 -0.73 -0.34 0.00 1.55 0.00 0.00 64.86 65.53 3pcg h ILE 19 Cb 0.10 1.18 -0.05 0.00 -0.27 0.00 0.00 36.82 37.78 3pcg h ILE 19 CO -0.05 0.23 -2.05 0.61 -1.05 0.00 0.00 178.15 175.84 3pcg n GLY 20 N -0.92 -0.85 0.00 0.16 0.00 -0.78 -4.63 105.19 98.17 3pcg n GLY 20 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3pcg n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3pcg n LEU 21 N -3.06 0.55 -3.01 0.99 4.77 0.06 -4.84 117.00 112.46 3pcg n LEU 21 Ca -0.28 -0.74 -0.16 0.00 -0.03 0.00 0.00 56.01 54.80 3pcg n LEU 21 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 3pcg n LEU 21 CO 0.42 0.14 -0.04 0.00 -1.33 0.00 0.00 177.39 176.57 3pcg n ALA 22 N -0.39 0.89 -0.16 -1.18 0.00 0.18 -4.97 120.51 114.88 3pcg n ALA 22 Ca 0.00 -2.62 -0.08 0.00 0.00 0.00 0.00 53.44 50.75 3pcg n ALA 22 Cb 0.01 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 3pcg n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3pcg h LEU 23 N 3.41 -1.26 -0.47 0.00 4.07 -1.65 0.31 115.31 119.72 3pcg h LEU 23 Ca 0.00 0.22 0.08 0.00 0.08 0.00 0.00 57.88 58.26 3pcg h LEU 23 Cb 0.99 0.59 -0.07 0.00 1.08 0.00 0.00 40.66 43.25 3pcg h LEU 23 CO 0.38 -0.33 0.09 -0.08 -1.08 0.00 0.00 178.44 177.42 3pcg h GLU 24 N -0.24 0.22 -0.56 1.13 4.81 -1.87 -1.04 114.58 117.03 3pcg h GLU 24 Ca 0.18 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 3pcg h GLU 24 Cb 0.56 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 3pcg h GLU 24 CO -0.61 0.15 0.37 0.00 -0.73 0.00 0.00 179.01 178.18 3pcg h ALA 25 N 1.37 1.61 0.00 2.92 0.00 -1.54 0.40 119.26 124.01 3pcg h ALA 25 Ca 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3pcg h ALA 25 Cb 0.31 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3pcg h ALA 25 CO -0.31 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3pcg n ALA 26 N -2.45 1.71 -2.56 0.00 0.00 -0.03 -4.84 120.51 112.34 3pcg n ALA 26 Ca 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 53.44 53.45 3pcg n ALA 26 Cb 0.05 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.18 3pcg n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 27 N 0.11 0.41 3.43 0.00 0.00 0.14 -4.97 105.19 104.29 3pcg n GLY 27 Ca 0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 3pcg n GLY 27 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3pcg s ASN 28 N -2.97 3.36 0.33 1.61 0.01 -0.80 -5.04 114.94 111.44 3pcg s ASN 28 Ca 0.11 -0.94 -0.29 0.00 -0.71 0.00 0.00 52.86 51.03 3pcg s ASN 28 Cb -0.05 -0.25 -0.11 0.00 0.41 0.00 0.00 41.25 41.25 3pcg s ASN 28 CO 0.13 0.06 1.50 -2.16 -1.51 0.00 0.00 177.10 175.11 3pcg s PRO 29 N -3.05 4.16 0.66 -0.60 0.04 -1.26 -3.91 135.00 131.04 3pcg s PRO 29 Ca 0.24 2.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.76 3pcg s PRO 29 Cb -0.06 -3.01 0.08 0.00 0.04 0.00 0.00 34.50 31.54 3pcg s PRO 29 CO 0.11 -0.51 0.93 0.95 0.04 0.00 0.00 177.00 178.52 3pcg s THR 30 N -0.65 2.37 0.51 1.26 -4.23 -1.26 -4.89 115.64 108.75 3pcg s THR 30 Ca 0.56 -0.51 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 3pcg s THR 30 Cb -0.46 -2.86 0.05 0.00 1.34 0.00 0.00 72.50 70.57 3pcg s THR 30 CO 0.55 0.00 0.70 -0.13 -0.54 0.00 0.00 174.62 175.20 3pcg s ARG 31 N -5.06 2.53 0.16 3.99 0.52 -1.26 -5.02 118.95 114.80 3pcg s ARG 31 Ca 0.62 -1.38 -0.16 0.00 -0.52 0.00 0.00 55.73 54.29 3pcg s ARG 31 Cb -0.09 -2.67 0.07 0.00 0.52 0.00 0.00 34.95 32.78 3pcg s ARG 31 CO 0.43 -0.61 1.73 -0.44 0.02 0.00 0.00 175.30 176.43 3pcg h ASP 32 N 0.35 0.02 -3.39 0.23 3.32 -2.07 -3.39 116.42 111.48 3pcg h ASP 32 Ca -0.36 0.06 -0.67 0.00 0.02 0.00 0.00 57.03 56.08 3pcg h ASP 32 Cb 1.28 0.08 -0.34 0.00 0.22 0.00 0.00 39.33 40.57 3pcg h ASP 32 CO 0.43 0.05 -0.80 -1.10 -1.72 0.00 0.00 179.24 176.10 3pcg s GLN 33 N -6.17 2.84 0.05 3.56 -0.21 -1.26 -5.11 119.66 113.36 3pcg s GLN 33 Ca -0.13 -0.96 0.08 0.00 0.02 0.00 0.00 55.36 54.37 3pcg s GLN 33 Cb 0.12 -2.82 -0.03 0.00 1.00 0.00 0.00 33.01 31.29 3pcg s GLN 33 CO 0.71 -0.34 -0.21 -1.21 -2.12 0.00 0.00 175.29 172.12 3pcg s GLU 34 N 1.29 1.38 -0.33 2.91 0.41 -1.26 -5.11 118.70 117.98 3pcg s GLU 34 Ca 0.01 -0.98 -0.21 0.00 -0.41 0.00 0.00 54.97 53.37 3pcg s GLU 34 Cb -0.16 -1.52 -0.00 0.00 -1.78 0.00 0.00 34.13 30.67 3pcg s GLU 34 CO -0.08 0.38 0.69 0.42 -0.49 0.00 0.00 175.26 176.19 3pcg s ILE 35 N -0.85 4.86 0.00 -1.63 1.01 -1.26 -5.02 121.20 118.31 3pcg s ILE 35 Ca 0.08 0.86 0.00 0.00 0.00 0.00 0.00 60.65 61.59 3pcg s ILE 35 Cb -0.09 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.29 3pcg s ILE 35 CO 0.02 -0.26 0.00 1.87 0.00 0.00 0.00 174.94 176.57 3pcg n TRP 36 N 6.08 0.00 0.92 3.97 -0.00 -1.26 -4.62 117.44 122.52 3pcg n TRP 36 Ca 0.01 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.54 3pcg n TRP 36 Cb 0.48 0.00 0.11 0.00 -0.00 0.00 0.00 31.31 31.90 3pcg n TRP 36 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 177.69 177.96 3pcg n ASN 37 N 0.00 1.73 -4.06 5.87 6.94 -0.23 -1.99 115.26 123.51 3pcg n ASN 37 Ca 0.00 -2.12 -0.35 0.00 -0.02 0.00 0.00 54.58 52.09 3pcg n ASN 37 Cb 0.00 -0.33 -0.10 0.00 -2.36 0.00 0.00 39.78 36.99 3pcg n ASN 37 CO 0.00 0.00 0.00 -0.60 -1.03 0.00 0.00 177.26 175.63 3pcg s ARG 38 N -1.62 2.50 0.21 -3.83 3.52 -1.26 -1.18 118.95 117.28 3pcg s ARG 38 Ca 0.15 -2.63 0.03 0.00 -0.13 0.00 0.00 55.73 53.15 3pcg s ARG 38 Cb 0.10 -3.66 0.16 0.00 -1.56 0.00 0.00 34.95 29.99 3pcg s ARG 38 CO 0.08 -1.17 1.50 -0.07 -0.81 0.00 0.00 175.30 174.83 3pcg h LEU 39 N 6.80 0.31 -8.66 -0.88 4.07 -1.14 -3.45 115.31 112.36 3pcg h LEU 39 Ca -0.01 -0.20 -0.69 0.00 0.08 0.00 0.00 57.88 57.06 3pcg h LEU 39 Cb 0.93 -0.09 -0.28 0.00 1.08 0.00 0.00 40.66 42.29 3pcg h LEU 39 CO 0.71 0.90 -0.88 0.00 -1.08 0.00 0.00 178.44 178.09 3pcg s ALA 40 N -3.63 2.17 0.37 1.53 0.00 -1.23 0.03 121.76 121.00 3pcg s ALA 40 Ca -0.04 -1.18 -0.19 0.00 0.00 0.00 0.00 51.96 50.56 3pcg s ALA 40 Cb 0.11 -0.50 -0.10 0.00 0.00 0.00 0.00 23.12 22.63 3pcg s ALA 40 CO 0.81 0.52 0.85 0.15 0.00 0.00 0.00 175.76 178.09 3pcg s LYS 41 N -0.92 4.15 0.54 0.00 1.02 0.41 -4.82 119.74 120.12 3pcg s LYS 41 Ca 0.11 0.92 0.36 0.00 0.02 0.00 0.00 55.97 57.38 3pcg s LYS 41 Cb -0.10 -2.35 1.54 0.00 -0.52 0.00 0.00 37.83 36.41 3pcg s LYS 41 CO 0.01 0.09 1.81 -1.35 -0.92 0.00 0.00 175.35 174.98 3pcg h PRO 42 N 2.19 0.00 -0.44 -1.68 0.11 -2.00 0.36 132.00 130.54 3pcg h PRO 42 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3pcg h PRO 42 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3pcg h PRO 42 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 3pcg n ASP 43 N -4.17 1.90 -4.78 -2.05 5.68 -1.26 -4.90 116.55 106.97 3pcg n ASP 43 Ca 0.25 -2.10 -0.37 0.00 -0.50 0.00 0.00 54.79 52.07 3pcg n ASP 43 Cb 1.22 -0.30 -0.06 0.00 -1.14 0.00 0.00 41.12 40.84 3pcg n ASP 43 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg s ALA 44 N -1.63 3.25 0.64 2.12 0.00 0.12 -5.03 121.76 121.24 3pcg s ALA 44 Ca 0.20 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.51 3pcg s ALA 44 Cb 0.12 -3.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3pcg s ALA 44 CO 0.11 0.20 1.12 -1.25 0.00 0.00 0.00 175.76 175.94 3pcg s PRO 45 N -1.88 2.84 0.00 0.00 0.05 -1.26 -4.90 135.00 129.84 3pcg s PRO 45 Ca 0.48 1.47 0.00 0.00 0.05 0.00 0.00 61.00 63.00 3pcg s PRO 45 Cb -0.20 -1.95 0.00 0.00 0.05 0.00 0.00 34.50 32.40 3pcg s PRO 45 CO 0.25 -1.23 0.00 0.41 0.05 0.00 0.00 177.00 176.48 3pcg n GLY 46 N -0.30 0.89 3.59 0.56 0.00 -1.26 -4.64 105.19 104.02 3pcg n GLY 46 Ca 0.11 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 3pcg n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 47 N -1.32 3.49 0.19 1.61 2.02 -1.26 -4.96 118.70 118.48 3pcg s GLU 47 Ca 0.00 0.62 -0.30 0.00 0.02 0.00 0.00 54.97 55.31 3pcg s GLU 47 Cb 0.00 -4.04 -0.08 0.00 0.10 0.00 0.00 34.13 30.11 3pcg s GLU 47 CO 0.00 -1.68 1.13 -1.01 0.02 0.00 0.00 175.26 173.71 3pcg s HIS 48 N 5.44 3.54 0.08 1.61 3.76 -1.26 -1.29 115.29 127.17 3pcg s HIS 48 Ca 0.54 1.56 -0.02 0.00 -0.15 0.00 0.00 55.06 56.99 3pcg s HIS 48 Cb -0.11 -3.32 -0.04 0.00 1.11 0.00 0.00 32.58 30.23 3pcg s HIS 48 CO 0.29 -0.77 0.03 0.96 -0.85 0.00 0.00 174.74 174.39 3pcg s ILE 49 N -0.29 0.17 -0.16 0.60 -4.36 0.88 -4.67 121.20 113.37 3pcg s ILE 49 Ca 0.50 -1.79 0.00 0.00 -0.26 0.00 0.00 60.65 59.10 3pcg s ILE 49 Cb -0.31 -1.70 -0.00 0.00 1.25 0.00 0.00 42.46 41.70 3pcg s ILE 49 CO 0.36 -0.77 -0.15 -0.22 0.24 0.00 0.00 174.94 174.40 3pcg s LEU 50 N -2.96 2.47 -0.09 0.37 2.96 -0.38 -2.01 118.68 119.04 3pcg s LEU 50 Ca 0.13 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 3pcg s LEU 50 Cb 0.07 -1.56 -0.03 0.00 0.50 0.00 0.00 46.19 45.17 3pcg s LEU 50 CO -0.06 0.08 -0.04 -0.76 -1.32 0.00 0.00 176.35 174.25 3pcg s LEU 51 N 0.87 3.34 0.06 -0.68 1.43 0.03 -1.08 118.68 122.64 3pcg s LEU 51 Ca -0.04 0.03 -0.14 0.00 -1.03 0.00 0.00 54.13 52.94 3pcg s LEU 51 Cb -0.15 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.34 3pcg s LEU 51 CO -0.01 0.34 0.33 -1.48 0.23 0.00 0.00 176.35 175.76 3pcg s LEU 52 N -0.69 0.77 -0.02 1.79 -0.00 -0.85 -0.72 118.68 118.96 3pcg s LEU 52 Ca 0.11 -0.21 -0.30 0.00 -0.00 0.00 0.00 54.13 53.72 3pcg s LEU 52 Cb -0.12 1.47 0.12 0.00 -0.00 0.00 0.00 46.19 47.66 3pcg s LEU 52 CO 0.02 -0.67 1.29 -0.83 -0.00 0.00 0.00 176.35 176.16 3pcg s GLY 53 N -2.23 -0.36 0.26 -3.48 0.00 -0.92 -0.82 107.32 99.78 3pcg s GLY 53 Ca -0.03 0.58 0.10 0.00 0.00 0.00 0.00 44.72 45.37 3pcg s GLY 53 CO -0.05 1.06 -0.17 1.20 0.00 0.00 0.00 173.10 175.14 3pcg s GLN 54 N -2.34 1.58 -0.09 2.90 -0.21 -1.26 -0.41 119.66 119.83 3pcg s GLN 54 Ca 0.17 -1.73 0.03 0.00 0.02 0.00 0.00 55.36 53.86 3pcg s GLN 54 Cb 0.04 -1.55 0.00 0.00 1.00 0.00 0.00 33.01 32.50 3pcg s GLN 54 CO -0.03 0.27 -0.20 0.08 -2.12 0.00 0.00 175.29 173.28 3pcg s VAL 55 N -2.67 1.74 0.07 1.09 1.01 -1.26 -0.55 120.40 119.83 3pcg s VAL 55 Ca 0.28 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.51 3pcg s VAL 55 Cb -0.03 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3pcg s VAL 55 CO 0.13 0.49 -0.22 -0.31 0.00 0.00 0.00 175.10 175.19 3pcg s TYR 56 N 0.47 2.45 0.73 5.22 2.02 0.55 -0.15 117.35 128.62 3pcg s TYR 56 Ca -0.17 -0.32 -0.01 0.00 -0.37 0.00 0.00 57.07 56.20 3pcg s TYR 56 Cb -0.17 -1.39 0.13 0.00 -0.40 0.00 0.00 41.96 40.13 3pcg s TYR 56 CO 0.07 0.26 1.00 0.16 -1.57 0.00 0.00 175.55 175.47 3pcg s ASP 57 N -1.62 4.32 0.23 2.29 1.47 -0.21 -1.76 116.67 121.39 3pcg s ASP 57 Ca 0.14 -0.37 0.17 0.00 1.18 0.00 0.00 52.55 53.68 3pcg s ASP 57 Cb -0.10 -0.00 0.89 0.00 -0.34 0.00 0.00 42.92 43.36 3pcg s ASP 57 CO 0.05 -1.88 1.53 0.61 0.68 0.00 0.00 175.17 176.17 3pcg n GLY 58 N -2.85 -0.87 0.93 2.12 0.00 -1.26 -1.13 105.19 102.14 3pcg n GLY 58 Ca 0.15 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.41 3pcg n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3pcg n ASN 59 N -2.07 2.98 -0.04 1.61 3.02 -1.26 -4.75 115.26 114.75 3pcg n ASN 59 Ca -0.00 -1.93 -0.00 0.00 -0.03 0.00 0.00 54.58 52.62 3pcg n ASN 59 Cb 0.07 -0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3pcg n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 60 N 1.27 0.44 3.87 7.41 0.00 -0.28 -5.05 105.19 112.86 3pcg n GLY 60 Ca 0.14 -0.84 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 3pcg n GLY 60 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3pcg s HIS 61 N -2.01 3.54 0.42 1.61 3.76 -1.26 -4.80 115.29 116.55 3pcg s HIS 61 Ca 0.00 0.79 -0.25 0.00 -0.15 0.00 0.00 55.06 55.44 3pcg s HIS 61 Cb 0.00 -2.17 -0.08 0.00 1.11 0.00 0.00 32.58 31.44 3pcg s HIS 61 CO 0.00 0.45 1.31 -0.51 -0.85 0.00 0.00 174.74 175.15 3pcg s LEU 62 N -2.20 4.16 -0.56 0.89 1.43 -1.26 -1.04 118.68 120.11 3pcg s LEU 62 Ca 0.37 2.67 -0.14 0.00 -1.03 0.00 0.00 54.13 56.00 3pcg s LEU 62 Cb -0.13 -3.95 0.14 0.00 0.03 0.00 0.00 46.19 42.27 3pcg s LEU 62 CO 0.20 -0.94 0.50 -0.69 0.23 0.00 0.00 176.35 175.65 3pcg s VAL 63 N -1.28 5.04 -0.55 -1.59 1.01 0.78 -4.82 120.40 118.99 3pcg s VAL 63 Ca 0.59 -1.67 0.08 0.00 0.00 0.00 0.00 61.98 60.98 3pcg s VAL 63 Cb -0.38 -4.23 0.47 0.00 0.00 0.00 0.00 36.38 32.24 3pcg s VAL 63 CO 0.49 -0.87 1.24 0.54 0.00 0.00 0.00 175.10 176.50 3pcg n ARG 64 N 5.04 3.21 -0.96 2.72 1.74 -1.26 -4.09 116.66 123.05 3pcg n ARG 64 Ca -0.10 -1.83 0.02 0.00 -0.77 0.00 0.00 57.85 55.18 3pcg n ARG 64 Cb 0.41 -1.94 0.02 0.00 -1.02 0.00 0.00 32.46 29.93 3pcg n ARG 64 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3pcg n ASP 65 N 0.33 0.62 -4.84 0.55 5.68 -1.26 -3.80 116.55 113.83 3pcg n ASP 65 Ca 0.17 -2.11 -0.32 0.00 -0.50 0.00 0.00 54.79 52.03 3pcg n ASP 65 Cb 0.82 -0.27 -0.04 0.00 -1.14 0.00 0.00 41.12 40.49 3pcg n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3pcg s SER 66 N -1.62 6.70 -0.06 -1.12 1.04 -1.26 -4.58 113.70 112.79 3pcg s SER 66 Ca 0.19 1.58 0.02 0.00 0.48 0.00 0.00 55.95 58.23 3pcg s SER 66 Cb 0.21 -2.51 0.01 0.00 0.10 0.00 0.00 66.02 63.83 3pcg s SER 66 CO -0.08 -0.53 -0.12 0.12 0.98 0.00 0.00 173.24 173.61 3pcg s PHE 67 N -2.51 1.41 0.09 5.02 5.36 0.18 -2.39 117.98 125.15 3pcg s PHE 67 Ca 0.59 -0.49 0.08 0.00 -0.96 0.00 0.00 56.93 56.15 3pcg s PHE 67 Cb -0.10 -1.03 -0.03 0.00 -0.34 0.00 0.00 43.02 41.52 3pcg s PHE 67 CO 0.27 -0.25 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.07 3pcg s LEU 68 N 0.56 2.27 -0.03 6.12 1.02 -0.33 -0.70 118.68 127.60 3pcg s LEU 68 Ca -0.12 -0.65 0.04 0.00 0.02 0.00 0.00 54.13 53.41 3pcg s LEU 68 Cb -0.15 -0.88 -0.00 0.00 0.02 0.00 0.00 46.19 45.18 3pcg s LEU 68 CO 0.03 0.07 -0.13 -1.61 0.02 0.00 0.00 176.35 174.73 3pcg s GLU 69 N -1.76 1.27 0.08 1.70 2.02 -0.48 -1.46 118.70 120.08 3pcg s GLU 69 Ca 0.06 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 54.67 3pcg s GLU 69 Cb -0.10 -1.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.93 3pcg s GLU 69 CO 0.04 0.22 -0.23 0.14 0.02 0.00 0.00 175.26 175.44 3pcg s VAL 70 N -0.03 1.90 -0.03 2.63 -7.23 -0.27 -1.04 120.40 116.32 3pcg s VAL 70 Ca -0.00 -1.47 -0.01 0.00 -1.81 0.00 0.00 61.98 58.69 3pcg s VAL 70 Cb -0.08 -1.67 0.03 0.00 0.56 0.00 0.00 36.38 35.21 3pcg s VAL 70 CO 0.01 0.12 0.03 0.86 -0.31 0.00 0.00 175.10 175.81 3pcg s TRP 71 N -0.98 0.14 0.05 2.82 -0.11 -0.52 -1.81 118.94 118.54 3pcg s TRP 71 Ca 0.09 0.13 -0.17 0.00 1.22 0.00 0.00 56.10 57.38 3pcg s TRP 71 Cb -0.10 -0.40 0.03 0.00 -1.50 0.00 0.00 33.47 31.50 3pcg s TRP 71 CO 0.04 -0.15 0.38 1.14 -4.62 0.00 0.00 176.95 173.74 3pcg s GLN 72 N 1.55 0.91 0.69 5.86 -2.07 -0.40 -0.68 119.66 125.51 3pcg s GLN 72 Ca -0.03 -0.44 -0.10 0.00 -1.82 0.00 0.00 55.36 52.97 3pcg s GLN 72 Cb -0.13 0.40 0.01 0.00 -1.09 0.00 0.00 33.01 32.21 3pcg s GLN 72 CO -0.03 -0.31 1.06 0.00 -1.32 0.00 0.00 175.29 174.69 3pcg s ALA 73 N -2.65 2.97 0.99 2.60 0.00 -1.26 -4.44 121.76 119.96 3pcg s ALA 73 Ca -0.04 -0.41 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 3pcg s ALA 73 Cb -0.00 -2.95 0.16 0.00 0.00 0.00 0.00 23.12 20.32 3pcg s ALA 73 CO -0.04 -1.08 0.92 -0.40 0.00 0.00 0.00 175.76 175.17 3pcg n ASP 74 N -2.93 0.10 0.32 0.00 5.68 0.28 -4.40 116.55 115.59 3pcg n ASP 74 Ca 0.06 -1.35 0.21 0.00 -0.50 0.00 0.00 54.79 53.22 3pcg n ASP 74 Cb 0.57 -0.70 1.09 0.00 -1.14 0.00 0.00 41.12 40.94 3pcg n ASP 74 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3pcg h ALA 75 N -1.81 1.00 -0.02 2.12 0.00 -1.83 0.66 119.26 119.39 3pcg h ALA 75 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3pcg h ALA 75 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3pcg h ALA 75 CO 0.21 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.55 3pcg n ASN 76 N -3.05 1.26 -0.38 0.00 3.02 -1.26 -3.83 115.26 111.02 3pcg n ASN 76 Ca -0.02 -1.43 -0.01 0.00 -0.03 0.00 0.00 54.58 53.08 3pcg n ASN 76 Cb 0.12 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 3pcg n ASN 76 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3pcg n GLY 77 N 1.14 0.59 3.21 7.41 0.00 0.00 -4.78 105.19 112.76 3pcg n GLY 77 Ca 0.20 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.19 3pcg n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3pcg s GLU 78 N -4.54 2.00 -0.24 1.61 2.02 -1.25 -4.70 118.70 113.61 3pcg s GLU 78 Ca 0.01 -0.76 -0.20 0.00 0.02 0.00 0.00 54.97 54.05 3pcg s GLU 78 Cb -0.01 -1.79 -0.02 0.00 0.10 0.00 0.00 34.13 32.41 3pcg s GLU 78 CO 0.02 0.37 0.61 0.71 0.02 0.00 0.00 175.26 176.98 3pcg s TYR 79 N -0.22 3.31 -0.75 1.61 2.02 -1.26 0.98 117.35 123.04 3pcg s TYR 79 Ca 0.01 0.83 -0.12 0.00 -0.37 0.00 0.00 57.07 57.41 3pcg s TYR 79 Cb -0.11 -2.81 0.20 0.00 -0.40 0.00 0.00 41.96 38.84 3pcg s TYR 79 CO 0.02 -0.26 0.67 -0.65 -1.57 0.00 0.00 175.55 173.75 3pcg s GLN 80 N 2.26 3.34 0.35 -0.62 -1.52 -1.26 -4.92 119.66 117.28 3pcg s GLN 80 Ca 0.26 -2.35 0.18 0.00 -1.95 0.00 0.00 55.36 51.50 3pcg s GLN 80 Cb -0.16 -4.30 0.49 0.00 -0.22 0.00 0.00 33.01 28.82 3pcg s GLN 80 CO 0.09 -1.28 1.64 0.38 -0.25 0.00 0.00 175.29 175.87 3pcg h ASP 81 N 7.84 0.00 -1.31 5.90 2.03 -1.98 -3.31 116.42 125.59 3pcg h ASP 81 Ca 0.03 0.00 -0.58 0.00 -0.73 0.00 0.00 57.03 55.75 3pcg h ASP 81 Cb 1.04 0.00 -0.09 0.00 -0.83 0.00 0.00 39.33 39.44 3pcg h ASP 81 CO 0.79 0.39 1.41 0.00 -1.03 0.00 0.00 179.24 180.79 3pcg s ALA 82 N -3.35 2.68 0.03 4.15 0.00 -1.26 -4.95 121.76 119.06 3pcg s ALA 82 Ca 0.02 -2.08 -0.30 0.00 0.00 0.00 0.00 51.96 49.59 3pcg s ALA 82 Cb 0.09 -4.49 -0.06 0.00 0.00 0.00 0.00 23.12 18.67 3pcg s ALA 82 CO 0.70 -3.60 1.36 -0.47 0.00 0.00 0.00 175.76 173.75 3pcg s TYR 83 N 5.27 3.03 -0.23 0.00 6.14 -1.26 -5.00 117.35 125.30 3pcg s TYR 83 Ca 0.45 0.93 -0.12 0.00 0.64 0.00 0.00 57.07 58.97 3pcg s TYR 83 Cb -0.02 -3.62 0.07 0.00 0.42 0.00 0.00 41.96 38.82 3pcg s TYR 83 CO -0.05 -2.22 0.54 1.21 0.64 0.00 0.00 175.55 175.67 3pcg s ASN 84 N 1.59 -0.72 0.54 4.32 3.84 -1.26 -5.04 114.94 118.20 3pcg s ASN 84 Ca 0.63 1.21 0.36 0.00 0.21 0.00 0.00 52.86 55.27 3pcg s ASN 84 Cb -0.32 1.15 1.83 0.00 -0.55 0.00 0.00 41.25 43.36 3pcg s ASN 84 CO 0.27 -0.22 2.10 -0.07 -2.79 0.00 0.00 177.10 176.39 3pcg h LEU 85 N 7.18 0.00 -0.37 3.21 3.38 -1.97 -2.25 115.31 124.49 3pcg h LEU 85 Ca -0.32 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.53 3pcg h LEU 85 Cb 1.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3pcg h LEU 85 CO 0.22 0.00 -0.59 -0.33 0.09 0.00 0.00 178.44 177.83 3pcg h GLU 86 N 0.00 0.00 -7.01 1.13 5.08 -2.00 -3.46 114.58 108.32 3pcg h GLU 86 Ca 0.00 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.80 3pcg h GLU 86 Cb 0.16 0.00 0.16 0.00 0.50 0.00 0.00 28.75 29.57 3pcg h GLU 86 CO 0.00 0.59 0.39 0.09 -1.00 0.00 0.00 179.01 179.08 3pcg n ASN 87 N -3.41 1.69 0.11 1.42 3.02 -0.85 -4.90 115.26 112.35 3pcg n ASN 87 Ca 0.01 0.83 -0.02 0.00 -0.03 0.00 0.00 54.58 55.37 3pcg n ASN 87 Cb 0.70 -1.50 0.04 0.00 -0.61 0.00 0.00 39.78 38.41 3pcg n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3pcg h ALA 88 N 0.56 0.65 -3.40 5.41 0.00 -1.88 -3.44 119.26 117.16 3pcg h ALA 88 Ca -0.50 -0.64 -0.25 0.00 0.00 0.00 0.00 54.91 53.52 3pcg h ALA 88 Cb 1.35 -0.11 -0.31 0.00 0.00 0.00 0.00 17.79 18.71 3pcg h ALA 88 CO 0.52 0.88 -0.64 0.12 0.00 0.00 0.00 179.25 180.14 3pcg s PHE 89 N -3.09 -0.10 -0.06 0.00 5.36 -1.26 0.15 117.98 118.99 3pcg s PHE 89 Ca 0.01 0.32 0.04 0.00 -0.96 0.00 0.00 56.93 56.35 3pcg s PHE 89 Cb 0.10 -0.08 -0.00 0.00 -0.34 0.00 0.00 43.02 42.69 3pcg s PHE 89 CO 0.77 -0.11 -0.18 -0.80 -1.46 0.00 0.00 175.22 173.44 3pcg s ASN 90 N 0.81 2.34 0.39 6.13 0.01 0.10 -4.97 114.94 119.74 3pcg s ASN 90 Ca -0.06 -0.39 0.20 0.00 -0.71 0.00 0.00 52.86 51.90 3pcg s ASN 90 Cb -0.09 -0.77 0.69 0.00 0.41 0.00 0.00 41.25 41.49 3pcg s ASN 90 CO -0.03 0.15 1.73 0.28 -1.51 0.00 0.00 177.10 177.71 3pcg h SER 91 N 6.39 0.00 -3.29 -1.22 0.02 -1.78 -3.43 113.55 110.24 3pcg h SER 91 Ca -0.30 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 59.98 3pcg h SER 91 Cb 1.18 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 63.59 3pcg h SER 91 CO 0.48 0.33 -0.62 0.12 -1.14 0.00 0.00 176.83 176.00 3pcg s PHE 92 N -3.55 3.14 0.24 3.45 5.36 -1.26 -1.27 117.98 124.09 3pcg s PHE 92 Ca 0.01 0.13 -0.19 0.00 -0.96 0.00 0.00 56.93 55.92 3pcg s PHE 92 Cb 0.10 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 41.10 3pcg s PHE 92 CO 0.68 0.48 0.61 0.20 -1.46 0.00 0.00 175.22 175.73 3pcg s GLY 93 N -1.46 -0.06 0.02 13.12 0.00 -0.75 -4.85 107.32 113.35 3pcg s GLY 93 Ca 0.19 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.64 3pcg s GLY 93 CO 0.09 -0.19 -0.06 0.50 0.00 0.00 0.00 173.10 173.45 3pcg s ARG 94 N -3.90 0.41 0.24 2.90 0.52 -0.84 -1.12 118.95 117.16 3pcg s ARG 94 Ca 0.11 -0.49 -0.12 0.00 -0.52 0.00 0.00 55.73 54.71 3pcg s ARG 94 Cb -0.03 -0.24 -0.01 0.00 0.52 0.00 0.00 34.95 35.19 3pcg s ARG 94 CO 0.02 0.05 0.45 -0.08 0.02 0.00 0.00 175.30 175.76 3pcg s THR 95 N -0.88 0.00 0.13 0.02 -1.32 -0.54 -1.07 115.64 111.98 3pcg s THR 95 Ca -0.06 -1.46 -0.17 0.00 -1.21 0.00 0.00 61.69 58.79 3pcg s THR 95 Cb -0.07 -2.24 0.04 0.00 -1.51 0.00 0.00 72.50 68.73 3pcg s THR 95 CO -0.00 0.00 0.42 0.00 -2.21 0.00 0.00 174.62 172.83 3pcg s ALA 96 N -4.02 -1.00 0.14 11.08 0.00 -1.26 -1.19 121.76 125.51 3pcg s ALA 96 Ca 0.24 0.01 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3pcg s ALA 96 Cb 0.00 0.71 -0.07 0.00 0.00 0.00 0.00 23.12 23.76 3pcg s ALA 96 CO 0.09 -0.66 0.53 0.95 0.00 0.00 0.00 175.76 176.68 3pcg s THR 97 N -3.80 4.88 0.25 0.00 -4.23 -1.00 -4.33 115.64 107.41 3pcg s THR 97 Ca 0.03 0.79 -0.30 0.00 -1.18 0.00 0.00 61.69 61.02 3pcg s THR 97 Cb 0.02 -3.73 -0.11 0.00 1.34 0.00 0.00 72.50 70.02 3pcg s THR 97 CO -0.12 0.25 1.53 0.42 -0.54 0.00 0.00 174.62 176.16 3pcg s THR 98 N -1.45 2.43 -0.23 3.99 -4.23 -1.16 -4.52 115.64 110.47 3pcg s THR 98 Ca 0.37 0.35 0.26 0.00 -1.18 0.00 0.00 61.69 61.49 3pcg s THR 98 Cb -0.15 -3.22 0.27 0.00 1.34 0.00 0.00 72.50 70.74 3pcg s THR 98 CO 0.19 0.05 1.79 -0.26 -0.54 0.00 0.00 174.62 175.85 3pcg h PHE 99 N 5.39 0.00 0.00 3.99 0.04 -1.96 -0.72 116.94 123.69 3pcg h PHE 99 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3pcg h PHE 99 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 3pcg h PHE 99 CO 0.61 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.92 3pcg n ASP 100 N -2.43 0.00 -0.20 2.17 5.75 -1.26 -4.76 116.55 115.82 3pcg n ASP 100 Ca 0.00 0.00 0.19 0.00 -0.01 0.00 0.00 54.79 54.97 3pcg n ASP 100 Cb 0.17 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 40.80 3pcg n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3pcg h ALA 101 N -2.00 2.24 -2.53 2.12 0.00 -1.99 -3.46 119.26 113.65 3pcg h ALA 101 Ca 0.00 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3pcg h ALA 101 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 17.79 17.80 3pcg h ALA 101 CO 0.00 -0.50 -0.26 0.41 0.00 0.00 0.00 179.25 178.90 3pcg n GLY 102 N -1.54 0.26 3.34 0.00 0.00 -0.28 -4.91 105.19 102.06 3pcg n GLY 102 Ca 0.17 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 3pcg n GLY 102 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 103 N -5.25 2.22 0.24 1.61 2.12 -1.26 -4.35 118.70 114.03 3pcg s GLU 103 Ca 0.18 -0.88 0.07 0.00 0.36 0.00 0.00 54.97 54.70 3pcg s GLU 103 Cb -0.08 -2.12 -0.04 0.00 0.26 0.00 0.00 34.13 32.16 3pcg s GLU 103 CO 0.22 0.56 0.12 1.67 -0.54 0.00 0.00 175.26 177.29 3pcg s TRP 104 N -0.60 2.99 0.03 5.30 1.48 0.45 -2.97 118.94 125.61 3pcg s TRP 104 Ca 0.09 -0.13 -0.05 0.00 -1.06 0.00 0.00 56.10 54.95 3pcg s TRP 104 Cb -0.10 -1.36 -0.01 0.00 -1.16 0.00 0.00 33.47 30.84 3pcg s TRP 104 CO -0.00 0.55 0.10 0.95 -4.06 0.00 0.00 176.95 174.48 3pcg s THR 105 N -2.09 0.12 -0.15 0.66 -4.23 -1.26 -2.16 115.64 106.53 3pcg s THR 105 Ca 0.32 -1.00 -0.12 0.00 -1.18 0.00 0.00 61.69 59.72 3pcg s THR 105 Cb -0.08 -0.75 0.04 0.00 1.34 0.00 0.00 72.50 73.05 3pcg s THR 105 CO 0.23 -0.55 0.38 -0.22 -0.54 0.00 0.00 174.62 173.92 3pcg s LEU 106 N -1.92 0.33 -0.25 4.79 2.96 0.10 -4.82 118.68 119.87 3pcg s LEU 106 Ca -0.08 0.80 -0.04 0.00 -0.22 0.00 0.00 54.13 54.58 3pcg s LEU 106 Cb -0.03 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.95 3pcg s LEU 106 CO -0.03 -0.15 -0.01 -1.00 -1.32 0.00 0.00 176.35 173.84 3pcg s HIS 107 N 0.64 3.04 0.00 5.38 3.76 -0.33 -0.79 115.29 127.00 3pcg s HIS 107 Ca -0.04 -1.06 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 3pcg s HIS 107 Cb -0.05 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3pcg s HIS 107 CO -0.04 -0.59 0.00 -2.37 -0.85 0.00 0.00 174.74 170.89 3pcg n THR 108 N 4.79 0.00 -4.30 1.30 5.66 -0.85 -0.61 114.28 120.27 3pcg n THR 108 Ca -0.17 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.64 3pcg n THR 108 Cb 0.49 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.16 3pcg n THR 108 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 3pcg s VAL 109 N -2.54 1.61 0.02 1.08 -7.23 -1.26 -0.08 120.40 112.00 3pcg s VAL 109 Ca 0.00 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.96 3pcg s VAL 109 Cb 0.00 -1.77 -0.06 0.00 0.56 0.00 0.00 36.38 35.11 3pcg s VAL 109 CO 0.00 -0.41 1.39 -0.75 -0.31 0.00 0.00 175.10 175.01 3pcg s LYS 110 N -2.94 4.30 0.39 4.82 2.20 -0.41 -4.88 119.74 123.21 3pcg s LYS 110 Ca 0.15 1.97 -0.26 0.00 -0.36 0.00 0.00 55.97 57.46 3pcg s LYS 110 Cb -0.04 -3.52 -0.09 0.00 -1.51 0.00 0.00 37.83 32.67 3pcg s LYS 110 CO 0.05 -0.54 1.19 -1.25 -0.36 0.00 0.00 175.35 174.45 3pcg s PRO 111 N 2.15 4.11 0.86 4.03 0.04 -1.26 -4.08 135.00 140.85 3pcg s PRO 111 Ca 0.64 1.91 -0.12 0.00 0.04 0.00 0.00 61.00 63.46 3pcg s PRO 111 Cb -0.32 -2.76 0.11 0.00 0.04 0.00 0.00 34.50 31.57 3pcg s PRO 111 CO 0.27 -0.29 1.17 0.20 0.04 0.00 0.00 177.00 178.39 3pcg s GLY 112 N -1.01 1.60 0.24 0.56 0.00 0.01 -4.72 107.32 104.01 3pcg s GLY 112 Ca 0.55 -0.64 -0.26 0.00 0.00 0.00 0.00 44.72 44.37 3pcg s GLY 112 CO 0.41 -0.10 0.87 0.14 0.00 0.00 0.00 173.10 174.42 3pcg s VAL 113 N -3.48 4.26 0.10 1.40 1.01 -1.26 -4.44 120.40 117.99 3pcg s VAL 113 Ca 0.63 1.79 0.07 0.00 0.00 0.00 0.00 61.98 64.47 3pcg s VAL 113 Cb -0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 3pcg s VAL 113 CO 0.51 0.35 -0.17 0.68 0.00 0.00 0.00 175.10 176.48 3pcg s VAL 114 N -1.36 1.42 0.22 2.92 -7.23 -1.26 -4.50 120.40 110.61 3pcg s VAL 114 Ca 0.43 -1.55 -0.01 0.00 -1.81 0.00 0.00 61.98 59.04 3pcg s VAL 114 Cb -0.22 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3pcg s VAL 114 CO 0.26 -0.24 0.42 0.20 -0.31 0.00 0.00 175.10 175.44 3pcg s ASN 115 N -2.07 6.39 0.88 4.85 0.01 -1.26 0.16 114.94 123.91 3pcg s ASN 115 Ca 0.05 0.46 -0.12 0.00 -0.71 0.00 0.00 52.86 52.53 3pcg s ASN 115 Cb -0.08 -2.03 0.17 0.00 0.41 0.00 0.00 41.25 39.71 3pcg s ASN 115 CO 0.03 -0.08 1.23 0.54 -1.51 0.00 0.00 177.10 177.32 3pcg s ASN 116 N -3.19 3.60 0.37 -1.22 2.20 0.12 -4.87 114.94 111.94 3pcg s ASN 116 Ca 0.39 0.21 0.11 0.00 -0.94 0.00 0.00 52.86 52.64 3pcg s ASN 116 Cb -0.11 -0.40 0.89 0.00 -2.00 0.00 0.00 41.25 39.62 3pcg s ASN 116 CO 0.29 -2.41 1.85 0.00 -2.94 0.00 0.00 177.10 173.88 3pcg h ALA 117 N -1.31 1.92 0.00 3.54 0.00 -1.99 -0.31 119.26 121.11 3pcg h ALA 117 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3pcg h ALA 117 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3pcg h ALA 117 CO 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 179.25 179.47 3pcg n ALA 118 N -2.44 2.10 -0.30 0.00 0.00 -1.26 -4.88 120.51 113.73 3pcg n ALA 118 Ca 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3pcg n ALA 118 Cb 0.56 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3pcg n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3pcg n GLY 119 N 0.78 0.83 3.70 0.00 0.00 -0.13 -5.06 105.19 105.32 3pcg n GLY 119 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3pcg n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3pcg s VAL 120 N -2.06 5.22 0.33 1.61 1.01 -1.26 -4.76 120.40 120.49 3pcg s VAL 120 Ca 0.00 0.74 -0.29 0.00 0.00 0.00 0.00 61.98 62.44 3pcg s VAL 120 Cb 0.00 -3.73 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 3pcg s VAL 120 CO 0.00 0.30 1.37 -2.16 0.00 0.00 0.00 175.10 174.61 3pcg s PRO 121 N 0.95 4.28 0.10 2.72 0.04 -1.26 0.12 135.00 141.96 3pcg s PRO 121 Ca 0.20 2.32 0.01 0.00 0.04 0.00 0.00 61.00 63.57 3pcg s PRO 121 Cb -0.14 -3.05 -0.04 0.00 0.04 0.00 0.00 34.50 31.31 3pcg s PRO 121 CO 0.08 -0.31 0.24 -1.64 0.04 0.00 0.00 177.00 175.41 3pcg s MET 122 N -1.64 3.43 0.60 4.56 -1.94 0.12 -4.47 119.30 119.95 3pcg s MET 122 Ca 0.51 -0.52 -0.18 0.00 -1.71 0.00 0.00 55.69 53.79 3pcg s MET 122 Cb -0.42 -3.00 -0.03 0.00 2.01 0.00 0.00 34.83 33.39 3pcg s MET 122 CO 0.54 0.57 1.19 0.00 -0.01 0.00 0.00 175.02 177.30 3pcg s ALA 123 N -1.61 2.54 0.11 3.03 0.00 -1.26 -4.10 121.76 120.46 3pcg s ALA 123 Ca 0.35 0.94 -0.36 0.00 0.00 0.00 0.00 51.96 52.88 3pcg s ALA 123 Cb -0.12 -3.43 -0.16 0.00 0.00 0.00 0.00 23.12 19.41 3pcg s ALA 123 CO 0.28 -1.14 1.39 -2.30 0.00 0.00 0.00 175.76 174.00 3pcg n PRO 124 N -1.66 1.38 -3.69 0.00 -0.02 -1.26 -4.87 135.00 124.88 3pcg n PRO 124 Ca 0.13 0.50 -0.10 0.00 -2.02 0.00 0.00 63.50 62.01 3pcg n PRO 124 Cb 0.50 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.76 3pcg n PRO 124 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 3pcg s HIS 125 N 0.57 -0.12 -0.15 6.00 -3.43 -1.26 -4.38 115.29 112.53 3pcg s HIS 125 Ca 0.83 -0.19 0.02 0.00 -0.80 0.00 0.00 55.06 54.91 3pcg s HIS 125 Cb -0.89 0.17 0.00 0.00 -1.43 0.00 0.00 32.58 30.44 3pcg s HIS 125 CO 0.45 -0.64 -0.19 0.42 -2.00 0.00 0.00 174.74 172.77 3pcg s ILE 126 N -3.65 2.33 -0.11 -5.38 1.01 -0.39 -4.63 121.20 110.38 3pcg s ILE 126 Ca 0.02 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.52 3pcg s ILE 126 Cb 0.02 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.52 3pcg s ILE 126 CO -0.11 0.53 0.87 0.20 0.00 0.00 0.00 174.94 176.44 3pcg s ASN 127 N 0.81 7.09 -0.01 3.58 0.01 0.14 -0.59 114.94 125.97 3pcg s ASN 127 Ca -0.06 1.33 0.08 0.00 -0.71 0.00 0.00 52.86 53.49 3pcg s ASN 127 Cb -0.15 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 3pcg s ASN 127 CO -0.01 -0.33 -0.25 -0.63 -1.51 0.00 0.00 177.10 174.37 3pcg s ILE 128 N 1.69 1.95 -0.12 0.60 1.01 -0.07 -1.43 121.20 124.84 3pcg s ILE 128 Ca 0.42 -1.10 0.03 0.00 0.00 0.00 0.00 60.65 60.01 3pcg s ILE 128 Cb -0.18 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.67 3pcg s ILE 128 CO 0.17 0.51 -0.21 -0.44 0.00 0.00 0.00 174.94 174.97 3pcg s SER 129 N -0.68 2.94 -0.15 3.58 0.01 -0.20 -1.07 113.70 118.13 3pcg s SER 129 Ca 0.10 -0.55 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3pcg s SER 129 Cb -0.09 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 3pcg s SER 129 CO -0.00 0.10 -0.05 -0.22 0.41 0.00 0.00 173.24 173.48 3pcg s LEU 130 N 0.65 3.20 0.06 2.44 2.96 0.56 -1.38 118.68 127.17 3pcg s LEU 130 Ca -0.12 -0.14 0.06 0.00 -0.22 0.00 0.00 54.13 53.70 3pcg s LEU 130 Cb -0.16 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.73 3pcg s LEU 130 CO 0.03 0.17 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.72 3pcg s PHE 131 N 0.33 1.31 0.00 5.38 0.40 0.12 -1.59 117.98 123.92 3pcg s PHE 131 Ca -0.05 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 3pcg s PHE 131 Cb -0.14 -0.75 0.00 0.00 0.51 0.00 0.00 43.02 42.64 3pcg s PHE 131 CO 0.03 0.07 0.00 0.00 0.70 0.00 0.00 175.22 176.02 3pcg n ALA 132 N 1.45 0.00 -1.75 5.36 0.00 -1.26 -0.65 120.51 123.67 3pcg n ALA 132 Ca -0.20 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.86 3pcg n ALA 132 Cb 0.54 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.03 3pcg n ALA 132 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 3pcg s ARG 133 N -2.00 3.07 0.00 0.00 1.70 -1.24 -1.23 118.95 119.24 3pcg s ARG 133 Ca 0.00 2.13 0.00 0.00 -0.47 0.00 0.00 55.73 57.39 3pcg s ARG 133 Cb 0.00 -2.16 0.00 0.00 -0.57 0.00 0.00 34.95 32.22 3pcg s ARG 133 CO 0.00 -1.22 0.00 0.41 -1.08 0.00 0.00 175.30 173.41 3pcg n GLY 134 N 0.72 1.52 3.14 3.88 0.00 -1.26 -4.96 105.19 108.23 3pcg n GLY 134 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3pcg n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3pcg s ILE 135 N -3.23 3.29 0.33 -0.61 1.01 -0.37 -4.96 121.20 116.67 3pcg s ILE 135 Ca 0.00 -1.90 0.05 0.00 0.00 0.00 0.00 60.65 58.80 3pcg s ILE 135 Cb 0.00 -3.18 0.13 0.00 0.01 0.00 0.00 42.46 39.42 3pcg s ILE 135 CO 0.00 -0.58 1.84 0.78 0.00 0.00 0.00 174.94 176.98 3pcg h ASN 136 N 8.06 0.42 -3.55 3.58 2.35 -1.91 -3.34 115.58 121.19 3pcg h ASN 136 Ca -0.15 -0.10 -0.31 0.00 -0.55 0.00 0.00 56.30 55.20 3pcg h ASN 136 Cb 1.05 -0.11 -0.33 0.00 0.05 0.00 0.00 38.32 38.98 3pcg h ASN 136 CO 0.67 0.57 -0.74 -0.51 -1.65 0.00 0.00 177.43 175.77 3pcg s ILE 137 N -4.77 0.04 0.68 2.81 2.07 -1.26 -3.06 121.20 117.71 3pcg s ILE 137 Ca -0.07 0.13 -0.17 0.00 -1.41 0.00 0.00 60.65 59.14 3pcg s ILE 137 Cb 0.15 -0.15 -0.01 0.00 0.13 0.00 0.00 42.46 42.59 3pcg s ILE 137 CO 0.76 0.10 1.04 0.00 -1.91 0.00 0.00 174.94 174.93 3pcg n HIS 138 N 4.00 0.97 -3.76 3.50 1.44 -1.26 -5.01 115.22 115.11 3pcg n HIS 138 Ca -0.25 0.41 -0.36 0.00 -2.01 0.00 0.00 57.72 55.50 3pcg n HIS 138 Cb 0.52 -2.13 -0.07 0.00 0.12 0.00 0.00 29.99 28.43 3pcg n HIS 138 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3pcg s LEU 139 N -3.22 4.32 -0.12 2.39 1.43 -0.62 -4.91 118.68 117.94 3pcg s LEU 139 Ca 0.76 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 3pcg s LEU 139 Cb -0.37 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 3pcg s LEU 139 CO 0.47 0.29 0.00 -1.00 0.23 0.00 0.00 176.35 176.34 3pcg s HIS 140 N -0.37 3.14 0.32 0.29 3.76 -1.26 -0.32 115.29 120.85 3pcg s HIS 140 Ca 0.13 0.06 -0.08 0.00 -0.15 0.00 0.00 55.06 55.02 3pcg s HIS 140 Cb -0.12 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.70 3pcg s HIS 140 CO 0.03 0.30 0.52 -0.08 -0.85 0.00 0.00 174.74 174.66 3pcg s THR 141 N -0.39 0.00 0.05 1.30 -1.32 -0.23 0.40 115.64 115.45 3pcg s THR 141 Ca 0.07 -1.44 0.05 0.00 -1.21 0.00 0.00 61.69 59.16 3pcg s THR 141 Cb -0.12 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3pcg s THR 141 CO 0.02 0.00 -0.14 -0.13 -2.21 0.00 0.00 174.62 172.16 3pcg s ARG 142 N -3.26 0.87 -0.21 7.08 0.52 -1.26 -0.89 118.95 121.80 3pcg s ARG 142 Ca 0.25 -0.84 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 3pcg s ARG 142 Cb -0.01 -0.87 -0.01 0.00 0.52 0.00 0.00 34.95 34.58 3pcg s ARG 142 CO 0.15 0.21 -0.06 -1.17 0.02 0.00 0.00 175.30 174.45 3pcg s LEU 143 N -1.40 2.86 0.29 2.53 0.20 0.24 -4.75 118.68 118.65 3pcg s LEU 143 Ca -0.00 -0.39 0.09 0.00 0.69 0.00 0.00 54.13 54.52 3pcg s LEU 143 Cb -0.09 -1.72 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 3pcg s LEU 143 CO 0.02 0.00 0.08 -0.31 -0.29 0.00 0.00 176.35 175.85 3pcg s TYR 144 N 1.34 2.76 -0.13 5.38 1.51 0.34 -1.26 117.35 127.29 3pcg s TYR 144 Ca 0.04 -0.27 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3pcg s TYR 144 Cb -0.14 -1.40 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 3pcg s TYR 144 CO -0.03 0.49 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.80 3pcg s PHE 145 N -2.34 3.01 0.52 2.71 0.08 -1.26 0.98 117.98 121.68 3pcg s PHE 145 Ca 0.34 -0.21 0.35 0.00 0.12 0.00 0.00 56.93 57.53 3pcg s PHE 145 Cb -0.05 -1.89 1.90 0.00 -0.57 0.00 0.00 43.02 42.41 3pcg s PHE 145 CO 0.22 0.07 2.23 0.38 -0.10 0.00 0.00 175.22 178.01 3pcg h ASP 146 N 6.28 0.00 -0.33 1.36 2.03 -1.48 -1.92 116.42 122.36 3pcg h ASP 146 Ca -0.36 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.94 3pcg h ASP 146 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 3pcg h ASP 146 CO 0.60 0.03 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 3pcg n ASP 147 N -3.45 2.50 -1.08 4.15 5.68 -1.26 -3.86 116.55 119.23 3pcg n ASP 147 Ca -0.02 -2.18 -0.03 0.00 -0.50 0.00 0.00 54.79 52.05 3pcg n ASP 147 Cb 0.14 -0.38 0.15 0.00 -1.14 0.00 0.00 41.12 39.88 3pcg n ASP 147 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3pcg n GLU 148 N 0.47 2.17 -0.33 0.11 -0.58 -0.72 -4.85 120.64 116.91 3pcg n GLU 148 Ca 0.13 -3.54 0.16 0.00 -0.42 0.00 0.00 57.16 53.49 3pcg n GLU 148 Cb 0.47 -1.78 0.36 0.00 -0.57 0.00 0.00 31.44 29.92 3pcg n GLU 148 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3pcg h ALA 149 N 1.38 1.66 -0.26 0.62 0.00 -1.75 0.21 119.26 121.13 3pcg h ALA 149 Ca 0.11 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3pcg h ALA 149 Cb 1.19 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3pcg h ALA 149 CO 0.24 -0.33 0.12 1.96 0.00 0.00 0.00 179.25 181.24 3pcg h GLN 150 N 0.48 0.37 -0.38 0.00 4.20 -1.94 -1.38 115.11 116.46 3pcg h GLN 150 Ca 0.62 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 59.20 3pcg h GLN 150 Cb 1.20 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 3pcg h GLN 150 CO -0.51 0.37 -0.05 0.00 -0.67 0.00 0.00 178.83 177.96 3pcg h ALA 151 N 0.99 0.52 -0.85 3.87 0.00 -1.66 -3.17 119.26 118.96 3pcg h ALA 151 Ca 0.09 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.75 3pcg h ALA 151 Cb 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3pcg h ALA 151 CO -0.01 0.34 0.54 -0.91 0.00 0.00 0.00 179.25 179.21 3pcg h ASN 152 N 0.52 0.88 -0.25 0.00 2.35 -0.84 -2.08 115.58 116.16 3pcg h ASN 152 Ca 0.10 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 3pcg h ASN 152 Cb 0.55 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3pcg h ASN 152 CO 0.03 0.59 0.15 0.00 -1.65 0.00 0.00 177.43 176.55 3pcg h ALA 153 N 1.37 1.77 -0.49 -0.83 0.00 -1.22 -2.72 119.26 117.13 3pcg h ALA 153 Ca 0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3pcg h ALA 153 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3pcg h ALA 153 CO -0.13 0.20 0.00 1.63 0.00 0.00 0.00 179.25 180.95 3pcg n LYS 154 N -4.47 2.54 -2.14 0.00 5.02 -0.94 -4.92 118.16 113.25 3pcg n LYS 154 Ca 0.01 -2.34 -0.42 0.00 -2.02 0.00 0.00 58.31 53.54 3pcg n LYS 154 Cb 0.09 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3pcg n LYS 154 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3pcg h PRO 156 N 7.60 0.00 0.09 0.00 0.13 -1.92 -1.69 132.00 136.21 3pcg h PRO 156 Ca -0.40 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.56 3pcg h PRO 156 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 3pcg h PRO 156 CO 0.90 0.13 -0.81 0.28 -0.23 0.00 0.00 178.00 178.27 3pcg h VAL 157 N 0.00 1.41 -0.55 1.56 2.07 -1.94 -3.27 116.25 115.52 3pcg h VAL 157 Ca -0.00 -2.43 -0.00 0.00 0.82 0.00 0.00 66.70 65.09 3pcg h VAL 157 Cb 0.36 3.04 -0.03 0.00 -1.52 0.00 0.00 31.29 33.14 3pcg h VAL 157 CO 0.02 0.65 0.34 0.25 0.02 0.00 0.00 177.57 178.85 3pcg h LEU 158 N -0.56 0.65 -0.36 2.57 5.85 -1.86 -1.26 115.31 120.35 3pcg h LEU 158 Ca -0.17 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.52 3pcg h LEU 158 Cb 1.49 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.36 3pcg h LEU 158 CO 0.06 0.50 0.00 0.59 -0.34 0.00 0.00 178.44 179.25 3pcg n ASN 159 N -4.43 0.44 0.19 1.25 3.02 -0.65 -2.38 115.26 112.71 3pcg n ASN 159 Ca 0.05 0.59 0.13 0.00 -0.03 0.00 0.00 54.58 55.32 3pcg n ASN 159 Cb 0.07 -0.69 0.33 0.00 -0.61 0.00 0.00 39.78 38.87 3pcg n ASN 159 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3pcg h LEU 160 N 0.00 0.00 -8.93 3.41 3.38 -1.27 -3.42 115.31 108.48 3pcg h LEU 160 Ca 0.00 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 3pcg h LEU 160 Cb 0.39 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 3pcg h LEU 160 CO 0.00 0.00 0.78 -0.63 0.09 0.00 0.00 178.44 178.68 3pcg s ILE 161 N -3.26 4.54 0.12 1.22 1.01 -1.00 -4.93 121.20 118.89 3pcg s ILE 161 Ca 0.07 1.62 -0.31 0.00 0.00 0.00 0.00 60.65 62.02 3pcg s ILE 161 Cb 0.08 -4.38 -0.11 0.00 0.01 0.00 0.00 42.46 38.05 3pcg s ILE 161 CO 0.62 -0.47 1.51 -0.33 0.00 0.00 0.00 174.94 176.26 3pcg h GLU 162 N 8.16 -0.42 -5.92 2.79 5.08 -1.88 -3.40 114.58 118.97 3pcg h GLU 162 Ca -0.21 0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.58 3pcg h GLU 162 Cb 1.07 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 30.32 3pcg h GLU 162 CO 1.01 -0.28 0.52 -0.65 -1.00 0.00 0.00 179.01 178.61 3pcg s GLN 163 N -5.47 3.98 0.30 2.33 -1.52 -1.26 -4.94 119.66 113.07 3pcg s GLN 163 Ca -0.14 0.71 0.05 0.00 -1.95 0.00 0.00 55.36 54.04 3pcg s GLN 163 Cb 0.07 -3.73 0.75 0.00 -0.22 0.00 0.00 33.01 29.88 3pcg s GLN 163 CO 0.57 -0.75 1.73 -1.35 -0.25 0.00 0.00 175.29 175.24 3pcg h PRO 164 N 8.12 0.55 -0.73 2.91 0.11 -1.97 0.24 132.00 141.22 3pcg h PRO 164 Ca -0.23 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 65.89 3pcg h PRO 164 Cb 1.09 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.03 3pcg h PRO 164 CO 0.93 0.36 0.48 1.96 -0.21 0.00 0.00 178.00 181.52 3pcg h GLN 165 N 0.56 0.81 -0.16 1.05 7.50 -1.96 -2.32 115.11 120.60 3pcg h GLN 165 Ca 0.58 -0.05 -0.12 0.00 0.50 0.00 0.00 58.65 59.56 3pcg h GLN 165 Cb 1.02 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.36 3pcg h GLN 165 CO -0.46 0.54 -0.41 0.00 -1.50 0.00 0.00 178.83 177.00 3pcg h ARG 166 N 0.84 0.36 -0.89 1.46 3.08 -0.92 -3.09 114.38 115.22 3pcg h ARG 166 Ca 0.30 -0.17 0.08 0.00 0.07 0.00 0.00 59.98 60.26 3pcg h ARG 166 Cb 0.14 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 3pcg h ARG 166 CO -0.09 0.71 0.58 0.00 -1.07 0.00 0.00 179.97 180.09 3pcg h ARG 167 N 0.30 0.93 0.00 0.04 3.08 -1.26 -1.70 114.38 115.77 3pcg h ARG 167 Ca 0.03 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3pcg h ARG 167 Cb 0.85 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.69 3pcg h ARG 167 CO 0.07 0.61 -0.00 0.93 -1.07 0.00 0.00 179.97 180.51 3pcg h GLU 168 N 0.96 0.00 0.00 0.04 5.08 -1.53 -1.77 114.58 117.36 3pcg h GLU 168 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 3pcg h GLU 168 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3pcg h GLU 168 CO -0.16 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.65 3pcg h THR 169 N 0.00 0.00 -0.48 1.13 1.35 -1.46 -2.81 112.91 110.65 3pcg h THR 169 Ca -0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3pcg h THR 169 Cb 0.00 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 3pcg h THR 169 CO 0.00 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.45 3pcg n LEU 170 N -2.90 3.26 -4.50 3.87 4.77 -0.67 -4.82 117.00 116.01 3pcg n LEU 170 Ca -0.00 -1.50 -0.37 0.00 -0.03 0.00 0.00 56.01 54.10 3pcg n LEU 170 Cb 0.21 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 40.86 3pcg n LEU 170 CO 0.23 0.75 -0.24 -0.63 -1.33 0.00 0.00 177.39 176.17 3pcg s ILE 171 N -1.38 4.69 0.28 -0.08 1.01 -1.06 -0.50 121.20 124.16 3pcg s ILE 171 Ca 0.40 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.72 3pcg s ILE 171 Cb 0.22 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.39 3pcg s ILE 171 CO 0.30 0.31 0.99 0.00 0.00 0.00 0.00 174.94 176.53 3pcg s ALA 172 N 1.67 3.31 -0.37 9.38 0.00 0.27 -4.85 121.76 131.17 3pcg s ALA 172 Ca 0.07 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.54 3pcg s ALA 172 Cb -0.15 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3pcg s ALA 172 CO 0.06 0.09 0.35 0.15 0.00 0.00 0.00 175.76 176.41 3pcg s LYS 173 N -1.51 3.35 0.40 0.00 -0.14 -0.50 -1.19 119.74 120.15 3pcg s LYS 173 Ca 0.45 -0.63 -0.27 0.00 -1.36 0.00 0.00 55.97 54.15 3pcg s LYS 173 Cb -0.26 -3.87 -0.10 0.00 -1.68 0.00 0.00 37.83 31.92 3pcg s LYS 173 CO 0.32 -0.62 1.45 0.50 -0.76 0.00 0.00 175.35 176.24 3pcg s ARG 174 N 1.94 3.96 0.07 1.68 3.52 -1.26 -1.51 118.95 127.35 3pcg s ARG 174 Ca 0.10 2.49 -0.02 0.00 -0.13 0.00 0.00 55.73 58.17 3pcg s ARG 174 Cb -0.17 -2.85 0.01 0.00 -1.56 0.00 0.00 34.95 30.37 3pcg s ARG 174 CO 0.12 -0.62 0.12 0.00 -0.81 0.00 0.00 175.30 174.10 3pcg s GLU 176 N -2.07 0.30 -0.16 0.00 2.12 -1.26 -1.35 118.70 116.28 3pcg s GLU 176 Ca 0.04 -0.11 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 3pcg s GLU 176 Cb -0.01 -0.31 0.04 0.00 0.26 0.00 0.00 34.13 34.12 3pcg s GLU 176 CO 0.03 0.06 -0.06 0.08 -0.54 0.00 0.00 175.26 174.82 3pcg s VAL 177 N 0.01 1.16 -1.42 3.70 1.01 0.30 -4.75 120.40 120.42 3pcg s VAL 177 Ca 0.00 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.32 3pcg s VAL 177 Cb -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 36.38 35.10 3pcg s VAL 177 CO -0.00 0.18 0.76 0.47 0.00 0.00 0.00 175.10 176.50 3pcg n ASP 178 N 4.86 -2.35 -2.09 3.32 8.00 -1.26 0.45 116.55 127.48 3pcg n ASP 178 Ca -0.12 -0.84 -0.21 0.00 0.71 0.00 0.00 54.79 54.32 3pcg n ASP 178 Cb 0.48 -3.79 -0.04 0.00 -0.02 0.00 0.00 41.12 37.75 3pcg n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3pcg n GLY 179 N -1.67 0.45 3.40 0.44 0.00 -1.26 -4.97 105.19 101.58 3pcg n GLY 179 Ca -0.17 -0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3pcg n GLY 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3pcg s LYS 180 N -4.56 2.32 0.10 1.61 2.47 0.17 -5.09 119.74 116.76 3pcg s LYS 180 Ca 0.00 -0.81 -0.31 0.00 -1.56 0.00 0.00 55.97 53.29 3pcg s LYS 180 Cb 0.00 -2.22 -0.08 0.00 -1.46 0.00 0.00 37.83 34.07 3pcg s LYS 180 CO 0.00 0.59 1.46 0.99 0.16 0.00 0.00 175.35 178.56 3pcg s THR 181 N -0.67 3.18 0.05 3.43 2.01 -1.26 0.11 115.64 122.48 3pcg s THR 181 Ca 0.11 0.80 0.01 0.00 0.31 0.00 0.00 61.69 62.91 3pcg s THR 181 Cb -0.10 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 3pcg s THR 181 CO -0.00 0.04 -0.05 0.00 -0.69 0.00 0.00 174.62 173.92 3pcg s ALA 182 N 1.49 0.52 -0.03 7.40 0.00 -0.45 -1.25 121.76 129.44 3pcg s ALA 182 Ca 0.67 -0.95 0.01 0.00 0.00 0.00 0.00 51.96 51.68 3pcg s ALA 182 Cb -0.38 0.15 0.02 0.00 0.00 0.00 0.00 23.12 22.91 3pcg s ALA 182 CO 0.30 -0.19 -0.03 0.71 0.00 0.00 0.00 175.76 176.56 3pcg s TYR 183 N -2.51 0.51 -0.18 0.00 1.51 -0.24 0.19 117.35 116.63 3pcg s TYR 183 Ca -0.03 -0.09 -0.12 0.00 -1.01 0.00 0.00 57.07 55.81 3pcg s TYR 183 Cb -0.02 -0.49 -0.05 0.00 -0.11 0.00 0.00 41.96 41.29 3pcg s TYR 183 CO -0.04 -0.13 0.23 0.50 -1.11 0.00 0.00 175.55 175.00 3pcg s ARG 184 N 0.81 4.23 -0.32 -0.62 3.52 -0.57 -2.00 118.95 124.01 3pcg s ARG 184 Ca -0.09 -0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.47 3pcg s ARG 184 Cb -0.12 -3.43 0.11 0.00 -1.56 0.00 0.00 34.95 29.95 3pcg s ARG 184 CO -0.01 0.25 0.13 0.12 -0.81 0.00 0.00 175.30 174.99 3pcg s PHE 185 N 0.45 1.07 0.17 5.12 5.36 0.00 -1.41 117.98 128.74 3pcg s PHE 185 Ca 0.13 -1.44 -0.15 0.00 -0.96 0.00 0.00 56.93 54.51 3pcg s PHE 185 Cb -0.12 -1.31 -0.07 0.00 -0.34 0.00 0.00 43.02 41.17 3pcg s PHE 185 CO 0.02 -0.85 0.59 -0.51 -1.46 0.00 0.00 175.22 173.02 3pcg s ASP 186 N 1.65 6.88 -0.17 6.13 1.01 -1.26 -4.00 116.67 126.90 3pcg s ASP 186 Ca 0.11 1.16 -0.00 0.00 0.71 0.00 0.00 52.55 54.53 3pcg s ASP 186 Cb -0.18 -2.32 0.00 0.00 1.01 0.00 0.00 42.92 41.43 3pcg s ASP 186 CO -0.25 0.08 -0.15 -0.63 0.21 0.00 0.00 175.17 174.43 3pcg s ILE 187 N -1.49 2.63 -0.32 0.77 1.01 0.29 -4.96 121.20 119.12 3pcg s ILE 187 Ca 0.39 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3pcg s ILE 187 Cb -0.15 -2.13 0.05 0.00 0.01 0.00 0.00 42.46 40.24 3pcg s ILE 187 CO 0.20 0.50 0.05 -0.13 0.00 0.00 0.00 174.94 175.56 3pcg s ARG 188 N 1.06 2.52 0.22 2.79 0.52 -1.26 -0.33 118.95 124.47 3pcg s ARG 188 Ca -0.01 -1.23 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3pcg s ARG 188 Cb -0.14 -3.32 0.22 0.00 0.52 0.00 0.00 34.95 32.22 3pcg s ARG 188 CO -0.04 -0.65 1.68 0.82 0.02 0.00 0.00 175.30 177.13 3pcg h ILE 189 N 6.33 1.26 -3.15 1.52 2.04 -1.64 0.22 117.51 124.09 3pcg h ILE 189 Ca -0.22 -1.18 -0.13 0.00 1.00 0.00 0.00 64.86 64.33 3pcg h ILE 189 Cb 1.07 1.01 -0.21 0.00 -0.74 0.00 0.00 36.82 37.95 3pcg h ILE 189 CO 0.57 0.41 -0.34 -1.58 0.00 0.00 0.00 178.15 177.20 3pcg s GLN 190 N -4.82 0.56 1.51 2.37 0.74 -1.26 -4.74 119.66 114.02 3pcg s GLN 190 Ca -0.10 -0.13 0.00 0.00 0.05 0.00 0.00 55.36 55.18 3pcg s GLN 190 Cb 0.14 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.50 3pcg s GLN 190 CO 0.83 -0.14 0.00 0.41 -0.55 0.00 0.00 175.29 175.84 3pcg n GLY 191 N 1.61 -0.04 3.71 2.59 0.00 -1.26 -4.10 105.19 107.70 3pcg n GLY 191 Ca -0.20 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3pcg n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3pcg s GLU 192 N 0.00 4.14 -0.84 1.61 2.12 -1.26 -1.07 118.70 123.40 3pcg s GLU 192 Ca 0.00 2.56 0.00 0.00 0.36 0.00 0.00 54.97 57.89 3pcg s GLU 192 Cb 0.00 -3.28 0.00 0.00 0.26 0.00 0.00 34.13 31.11 3pcg s GLU 192 CO 0.00 -0.76 0.00 0.41 -0.54 0.00 0.00 175.26 174.37 3pcg n GLY 193 N 4.03 0.99 3.65 -1.50 0.00 -1.26 -4.94 105.19 106.16 3pcg n GLY 193 Ca 0.16 -0.65 -0.50 0.00 0.00 0.00 0.00 46.02 45.03 3pcg n GLY 193 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3pcg n GLU 194 N -2.73 1.68 -2.26 1.61 2.13 -0.23 -4.60 120.64 116.25 3pcg n GLU 194 Ca -0.08 0.61 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 3pcg n GLU 194 Cb 0.27 -2.34 -0.01 0.00 0.27 0.00 0.00 31.44 29.63 3pcg n GLU 194 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 3pcg s THR 195 N 1.74 3.13 0.14 6.31 2.01 0.78 -4.96 115.64 124.79 3pcg s THR 195 Ca 0.86 0.79 -0.30 0.00 0.31 0.00 0.00 61.69 63.35 3pcg s THR 195 Cb -0.83 -3.37 -0.07 0.00 0.01 0.00 0.00 72.50 68.24 3pcg s THR 195 CO 0.47 -0.07 1.26 -0.69 -0.69 0.00 0.00 174.62 174.91 3pcg s VAL 196 N -1.64 3.58 0.02 3.82 1.01 -1.26 -4.94 120.40 120.99 3pcg s VAL 196 Ca 0.67 1.22 0.09 0.00 0.00 0.00 0.00 61.98 63.95 3pcg s VAL 196 Cb -0.27 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 3pcg s VAL 196 CO 0.31 0.14 -0.26 -0.36 0.00 0.00 0.00 175.10 174.94 3pcg s PHE 197 N 0.56 2.34 0.38 5.22 0.08 -1.26 -4.66 117.98 120.63 3pcg s PHE 197 Ca 0.58 -0.41 0.08 0.00 0.12 0.00 0.00 56.93 57.29 3pcg s PHE 197 Cb -0.33 -1.44 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 3pcg s PHE 197 CO 0.33 0.06 0.38 -0.06 -0.10 0.00 0.00 175.22 175.83 3pcg s PHE 198 N -0.73 2.84 -0.03 0.36 0.08 0.16 -4.98 117.98 115.68 3pcg s PHE 198 Ca 0.11 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.79 3pcg s PHE 198 Cb -0.10 -2.04 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 3pcg s PHE 198 CO 0.01 -0.03 -0.03 0.34 -0.10 0.00 0.00 175.22 175.41 3pcg s ASP 199 N -4.11 0.66 0.00 1.36 2.15 -1.26 -4.28 116.67 111.19 3pcg s ASP 199 Ca 0.46 -0.08 0.00 0.00 0.43 0.00 0.00 52.55 53.36 3pcg s ASP 199 Cb -0.06 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.28 3pcg s ASP 199 CO 0.28 -0.04 0.00 2.22 -0.17 0.00 0.00 175.17 177.46