#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oug s SER 3 N 0.00 0.18 0.32 1.08 0.01 -0.72 -4.94 113.70 109.62 2oug s SER 3 Ca 0.00 -0.66 -0.05 0.00 1.31 0.00 0.00 55.95 56.55 2oug s SER 3 Cb 0.00 0.30 -0.05 0.00 0.21 0.00 0.00 66.02 66.48 2oug s SER 3 CO 0.00 -0.66 0.59 0.26 0.41 0.00 0.00 173.24 173.84 2oug s TRP 4 N -3.58 3.48 -0.00 2.43 0.52 -1.26 -2.65 118.94 117.88 2oug s TRP 4 Ca 0.03 0.69 -0.05 0.00 0.02 0.00 0.00 56.10 56.79 2oug s TRP 4 Cb 0.04 -2.15 -0.00 0.00 -1.15 0.00 0.00 33.47 30.21 2oug s TRP 4 CO -0.09 0.11 0.09 0.71 0.02 0.00 0.00 176.95 177.79 2oug s TYR 5 N -2.17 0.06 -0.32 -1.98 1.51 0.23 -2.07 117.35 112.61 2oug s TYR 5 Ca 0.45 -0.14 -0.09 0.00 -1.01 0.00 0.00 57.07 56.28 2oug s TYR 5 Cb -0.11 -0.06 0.00 0.00 -0.11 0.00 0.00 41.96 41.68 2oug s TYR 5 CO 0.31 -0.22 0.15 -1.17 -1.11 0.00 0.00 175.55 173.51 2oug s LEU 6 N -1.10 4.16 0.08 -1.29 0.20 -1.26 0.13 118.68 119.60 2oug s LEU 6 Ca -0.12 -0.65 0.01 0.00 0.69 0.00 0.00 54.13 54.06 2oug s LEU 6 Cb -0.07 -1.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.67 2oug s LEU 6 CO 0.01 -0.23 0.17 -0.76 -0.29 0.00 0.00 176.35 175.25 2oug s LEU 7 N 1.58 4.16 -0.08 -0.68 1.43 -0.14 -1.37 118.68 123.57 2oug s LEU 7 Ca 0.04 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 2oug s LEU 7 Cb -0.17 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 2oug s LEU 7 CO 0.05 0.16 -0.04 -0.47 0.23 0.00 0.00 176.35 176.28 2oug s TYR 8 N -1.50 3.02 0.17 0.29 5.04 0.11 -0.88 117.35 123.60 2oug s TYR 8 Ca 0.33 0.05 0.08 0.00 -2.44 0.00 0.00 57.07 55.10 2oug s TYR 8 Cb -0.12 -1.75 -0.04 0.00 0.35 0.00 0.00 41.96 40.39 2oug s TYR 8 CO 0.26 0.35 -0.07 0.00 -1.34 0.00 0.00 175.55 174.75 2oug n LYS 10 N 0.05 -1.02 -0.32 0.00 5.02 -0.59 -4.81 118.16 116.49 2oug n LYS 10 Ca -0.11 -0.25 0.29 0.00 -2.02 0.00 0.00 58.31 56.22 2oug n LYS 10 Cb 0.55 -2.12 0.50 0.00 -0.02 0.00 0.00 35.03 33.94 2oug n LYS 10 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2oug n ARG 11 N -3.53 -0.04 -0.13 1.97 0.63 -1.26 -3.06 116.66 111.25 2oug n ARG 11 Ca 0.07 1.02 0.00 0.00 -0.92 0.00 0.00 57.85 58.02 2oug n ARG 11 Cb 0.54 -1.93 0.00 0.00 0.45 0.00 0.00 32.46 31.52 2oug n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2oug n GLY 12 N -1.32 -1.94 1.68 5.14 0.00 -1.26 -4.87 105.19 102.62 2oug n GLY 12 Ca 0.31 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.41 2oug n GLY 12 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2oug n GLN 13 N 0.00 4.13 -0.03 1.61 6.02 -1.17 -4.55 117.38 123.38 2oug n GLN 13 Ca 0.00 -2.87 -0.11 0.00 -0.01 0.00 0.00 57.00 54.01 2oug n GLN 13 Cb 0.55 -2.04 -0.05 0.00 1.02 0.00 0.00 30.24 29.72 2oug n GLN 13 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2oug h LEU 14 N 3.90 0.19 0.03 1.08 6.46 -1.85 -0.05 115.31 125.06 2oug h LEU 14 Ca 0.00 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.67 2oug h LEU 14 Cb 1.64 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2oug h LEU 14 CO 0.34 0.24 -0.09 -0.61 -0.62 0.00 0.00 178.44 177.70 2oug h GLN 15 N 0.13 -0.16 -0.34 1.25 5.75 -1.98 0.08 115.11 119.83 2oug h GLN 15 Ca 0.05 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2oug h GLN 15 Cb 0.10 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.66 2oug h GLN 15 CO -0.01 -0.11 0.20 0.00 -2.65 0.00 0.00 178.83 176.27 2oug h ARG 16 N -0.17 0.41 -0.57 1.69 3.08 -1.83 -2.39 114.38 114.60 2oug h ARG 16 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2oug h ARG 16 Cb 0.20 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 2oug h ARG 16 CO -0.07 0.27 0.25 0.00 -1.07 0.00 0.00 179.97 179.35 2oug h ALA 17 N 1.15 1.39 -0.57 0.04 0.00 -0.72 -2.53 119.26 118.02 2oug h ALA 17 Ca 0.13 -0.13 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2oug h ALA 17 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2oug h ALA 17 CO -0.06 0.48 -0.02 0.37 0.00 0.00 0.00 179.25 180.01 2oug h GLN 18 N 0.80 1.03 -0.18 0.00 4.15 -0.72 -1.82 115.11 118.36 2oug h GLN 18 Ca 0.20 -0.34 0.03 0.00 0.77 0.00 0.00 58.65 59.31 2oug h GLN 18 Cb 0.11 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 2oug h GLN 18 CO -0.02 1.03 -0.01 0.93 -1.93 0.00 0.00 178.83 178.83 2oug h GLU 19 N 0.91 0.05 0.05 1.69 5.08 -1.02 -2.32 114.58 119.02 2oug h GLU 19 Ca 0.16 -0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2oug h GLU 19 Cb 0.58 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2oug h GLU 19 CO 0.03 0.03 -0.27 1.25 -1.00 0.00 0.00 179.01 179.06 2oug h HIS 20 N 0.05 -0.72 0.00 4.33 2.76 -1.29 0.13 115.15 120.40 2oug h HIS 20 Ca 0.09 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2oug h HIS 20 Cb 0.11 0.31 0.00 0.00 1.55 0.00 0.00 27.41 29.38 2oug h HIS 20 CO -0.17 -0.37 0.00 1.28 -1.30 0.00 0.00 177.93 177.37 2oug n LEU 21 N -5.38 0.58 -0.04 0.26 4.77 -0.70 -0.91 117.00 115.58 2oug n LEU 21 Ca -0.06 0.69 -0.13 0.00 -0.03 0.00 0.00 56.01 56.48 2oug n LEU 21 Cb 0.29 -0.67 -0.14 0.00 -2.33 0.00 0.00 43.42 40.57 2oug n LEU 21 CO 0.23 -0.70 -0.78 -0.62 -1.33 0.00 0.00 177.39 174.19 2oug n GLU 22 N -2.19 0.68 -0.01 3.23 -0.58 -0.59 -0.46 120.64 120.72 2oug n GLU 22 Ca 0.01 0.23 -0.05 0.00 -0.42 0.00 0.00 57.16 56.93 2oug n GLU 22 Cb 0.14 -1.70 0.16 0.00 -0.57 0.00 0.00 31.44 29.47 2oug n GLU 22 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2oug h ARG 23 N 0.02 0.55 -6.92 3.49 2.47 -0.20 -3.40 114.38 110.38 2oug h ARG 23 Ca -0.39 -0.22 -0.49 0.00 -1.26 0.00 0.00 59.98 57.62 2oug h ARG 23 Cb 2.05 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 30.35 2oug h ARG 23 CO 0.06 0.77 0.18 -1.14 0.56 0.00 0.00 179.97 180.40 2oug s GLN 24 N -4.48 3.84 0.00 0.04 0.74 -0.09 -4.94 119.66 114.78 2oug s GLN 24 Ca -0.07 0.61 0.00 0.00 0.05 0.00 0.00 55.36 55.95 2oug s GLN 24 Cb 0.13 -2.33 0.00 0.00 1.10 0.00 0.00 33.01 31.92 2oug s GLN 24 CO 0.80 -0.08 0.43 0.00 -0.55 0.00 0.00 175.29 175.90 2oug n ALA 25 N -1.29 1.35 -1.78 1.58 0.00 -1.26 -4.70 120.51 114.42 2oug n ALA 25 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.11 2oug n ALA 25 Cb 0.54 -0.90 -0.02 0.00 0.00 0.00 0.00 19.45 19.06 2oug n ALA 25 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2oug s VAL 26 N -1.90 3.37 -0.21 0.00 1.01 0.39 -4.96 120.40 118.09 2oug s VAL 26 Ca 0.00 1.03 -0.17 0.00 0.00 0.00 0.00 61.98 62.84 2oug s VAL 26 Cb 0.00 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 2oug s VAL 26 CO 0.00 -0.01 0.46 0.20 0.00 0.00 0.00 175.10 175.76 2oug s ASN 27 N -1.45 6.48 0.07 3.32 0.01 -1.10 -3.88 114.94 118.39 2oug s ASN 27 Ca 0.61 0.57 0.06 0.00 -0.71 0.00 0.00 52.86 53.39 2oug s ASN 27 Cb -0.26 -2.26 -0.04 0.00 0.41 0.00 0.00 41.25 39.10 2oug s ASN 27 CO 0.32 -0.15 -0.08 0.00 -1.51 0.00 0.00 177.10 175.67 2oug s LEU 29 N -1.94 -0.00 -0.58 0.00 0.20 -0.58 -4.96 118.68 110.82 2oug s LEU 29 Ca 0.20 -0.49 0.04 0.00 0.69 0.00 0.00 54.13 54.58 2oug s LEU 29 Cb -0.11 0.25 0.14 0.00 -0.43 0.00 0.00 46.19 46.04 2oug s LEU 29 CO 0.12 -0.35 0.34 0.00 -0.29 0.00 0.00 176.35 176.16 2oug s ALA 30 N 2.28 3.45 0.63 5.97 0.00 -1.26 -2.07 121.76 130.76 2oug s ALA 30 Ca 0.07 -3.45 -0.19 0.00 0.00 0.00 0.00 51.96 48.39 2oug s ALA 30 Cb -0.15 -2.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 2oug s ALA 30 CO -0.18 -2.05 1.28 -2.14 0.00 0.00 0.00 175.76 172.67 2oug s PRO 31 N -0.67 2.70 0.28 0.00 0.02 -1.26 -4.90 135.00 131.17 2oug s PRO 31 Ca 0.20 2.03 0.10 0.00 0.02 0.00 0.00 61.00 63.35 2oug s PRO 31 Cb -0.19 -1.90 -0.05 0.00 0.02 0.00 0.00 34.50 32.38 2oug s PRO 31 CO -0.06 -1.47 -0.04 -1.64 -0.33 0.00 0.00 177.00 173.46 2oug s MET 32 N -3.32 2.13 -0.04 5.54 -1.94 -1.26 -0.78 119.30 119.63 2oug s MET 32 Ca 0.80 -1.54 0.03 0.00 -1.71 0.00 0.00 55.69 53.28 2oug s MET 32 Cb -0.36 -2.05 0.01 0.00 2.01 0.00 0.00 34.83 34.44 2oug s MET 32 CO 0.39 0.33 -0.12 -1.50 -0.01 0.00 0.00 175.02 174.11 2oug s ILE 33 N -2.39 1.04 -0.29 2.53 -1.16 0.60 -4.56 121.20 116.98 2oug s ILE 33 Ca 0.32 -0.47 -0.17 0.00 -0.51 0.00 0.00 60.65 59.82 2oug s ILE 33 Cb -0.05 -0.93 -0.03 0.00 0.61 0.00 0.00 42.46 42.06 2oug s ILE 33 CO 0.19 0.32 0.45 -0.89 -2.81 0.00 0.00 174.94 172.20 2oug s THR 34 N 0.34 5.11 0.12 4.00 2.01 -1.25 -0.97 115.64 124.99 2oug s THR 34 Ca -0.07 0.61 0.06 0.00 0.31 0.00 0.00 61.69 62.59 2oug s THR 34 Cb -0.12 -3.80 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2oug s THR 34 CO 0.02 0.05 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.10 2oug s LEU 35 N 2.21 2.40 -0.56 4.42 1.43 0.20 -4.91 118.68 123.87 2oug s LEU 35 Ca 0.18 -0.80 -0.19 0.00 -1.03 0.00 0.00 54.13 52.28 2oug s LEU 35 Cb -0.16 -0.51 0.08 0.00 0.03 0.00 0.00 46.19 45.63 2oug s LEU 35 CO 0.10 -0.16 0.69 -1.61 0.23 0.00 0.00 176.35 175.60 2oug s GLU 36 N -2.64 3.09 0.25 1.70 2.02 -1.26 0.19 118.70 122.05 2oug s GLU 36 Ca 0.08 -1.09 0.11 0.00 0.02 0.00 0.00 54.97 54.09 2oug s GLU 36 Cb -0.05 -4.19 -0.05 0.00 0.10 0.00 0.00 34.13 29.95 2oug s GLU 36 CO 0.03 -1.42 -0.18 0.21 0.02 0.00 0.00 175.26 173.92 2oug s LYS 37 N 2.76 1.74 -0.33 1.61 2.20 -1.15 -4.96 119.74 121.61 2oug s LYS 37 Ca 0.14 -1.65 -0.23 0.00 -0.36 0.00 0.00 55.97 53.86 2oug s LYS 37 Cb -0.21 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.26 2oug s LYS 37 CO 0.09 0.35 0.79 0.42 -0.36 0.00 0.00 175.35 176.65 2oug s ILE 38 N -2.27 4.77 0.00 5.43 1.01 -1.26 -1.92 121.20 126.96 2oug s ILE 38 Ca 0.28 1.09 0.00 0.00 0.00 0.00 0.00 60.65 62.02 2oug s ILE 38 Cb -0.06 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.24 2oug s ILE 38 CO 0.14 -0.32 0.00 0.52 0.00 0.00 0.00 174.94 175.28 2oug n VAL 39 N 5.64 0.00 -3.22 2.92 0.31 0.30 -4.85 118.33 119.43 2oug n VAL 39 Ca 0.04 0.46 -0.24 0.00 -0.01 0.00 0.00 64.34 64.58 2oug n VAL 39 Cb 0.48 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 31.93 2oug n VAL 39 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2oug n ARG 40 N -2.16 1.11 0.00 5.55 1.74 -1.26 -4.82 116.66 116.82 2oug n ARG 40 Ca 0.00 -3.52 0.00 0.00 -0.77 0.00 0.00 57.85 53.56 2oug n ARG 40 Cb 0.00 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 2oug n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 41 N 1.17 2.42 3.80 -0.13 0.00 -1.26 -4.96 105.19 106.23 2oug n GLY 41 Ca 0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.91 2oug n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oug s LYS 42 N 0.00 3.19 -1.39 1.61 1.02 -1.26 -5.02 119.74 117.90 2oug s LYS 42 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 55.97 55.57 2oug s LYS 42 Cb 0.00 -2.96 0.08 0.00 -0.52 0.00 0.00 37.83 34.43 2oug s LYS 42 CO 0.00 0.69 2.51 0.54 -0.92 0.00 0.00 175.35 178.17 2oug n ARG 43 N 1.53 4.42 -2.47 1.68 1.74 -1.26 -0.53 116.66 121.76 2oug n ARG 43 Ca -0.16 -3.20 -0.42 0.00 -0.77 0.00 0.00 57.85 53.30 2oug n ARG 43 Cb 0.53 -2.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.28 2oug n ARG 43 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2oug s THR 44 N -0.46 4.25 0.57 0.55 2.01 -0.81 -4.62 115.64 117.12 2oug s THR 44 Ca 0.57 1.59 -0.21 0.00 0.31 0.00 0.00 61.69 63.95 2oug s THR 44 Cb 0.18 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.63 2oug s THR 44 CO -0.09 0.03 1.24 0.00 -0.69 0.00 0.00 174.62 175.11 2oug n ALA 45 N 4.89 1.13 -2.40 7.40 0.00 -1.26 -2.93 120.51 127.33 2oug n ALA 45 Ca 0.10 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.54 2oug n ALA 45 Cb 0.46 -2.28 -0.09 0.00 0.00 0.00 0.00 19.45 17.55 2oug n ALA 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2oug s VAL 46 N -1.35 0.11 -0.23 0.00 -7.23 0.50 -4.90 120.40 107.31 2oug s VAL 46 Ca 0.74 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2oug s VAL 46 Cb -0.42 -1.80 0.06 0.00 0.56 0.00 0.00 36.38 34.78 2oug s VAL 46 CO 0.48 -0.50 -0.03 -0.55 -0.31 0.00 0.00 175.10 174.18 2oug s SER 47 N -2.98 3.70 0.37 4.85 0.15 -1.26 0.59 113.70 119.14 2oug s SER 47 Ca 0.17 -1.14 0.08 0.00 0.70 0.00 0.00 55.95 55.76 2oug s SER 47 Cb 0.06 -1.08 -0.07 0.00 -1.71 0.00 0.00 66.02 63.22 2oug s SER 47 CO -0.02 -0.25 -0.04 -1.83 1.20 0.00 0.00 173.24 172.29 2oug s GLU 48 N 1.47 1.87 0.33 5.44 -1.05 -0.14 -4.84 118.70 121.78 2oug s GLU 48 Ca -0.04 -2.01 -0.29 0.00 -0.15 0.00 0.00 54.97 52.47 2oug s GLU 48 Cb -0.19 -1.64 -0.11 0.00 -0.44 0.00 0.00 34.13 31.76 2oug s GLU 48 CO -0.07 0.04 1.43 -2.14 0.95 0.00 0.00 175.26 175.47 2oug s PRO 49 N -3.67 4.22 0.09 -4.83 0.02 -1.26 0.22 135.00 129.80 2oug s PRO 49 Ca 0.34 2.40 -0.30 0.00 0.02 0.00 0.00 61.00 63.46 2oug s PRO 49 Cb 0.06 -3.03 -0.14 0.00 0.02 0.00 0.00 34.50 31.41 2oug s PRO 49 CO 0.17 -0.41 1.64 1.25 -0.33 0.00 0.00 177.00 179.32 2oug h LEU 50 N 3.68 -0.72 -7.19 -5.54 6.46 -1.20 -3.36 115.31 107.45 2oug h LEU 50 Ca -0.49 0.05 -0.63 0.00 -0.12 0.00 0.00 57.88 56.70 2oug h LEU 50 Cb 1.23 0.23 -0.40 0.00 -0.73 0.00 0.00 40.66 40.98 2oug h LEU 50 CO 0.69 -0.42 -0.69 -0.36 -0.62 0.00 0.00 178.44 177.04 2oug s PHE 51 N -6.06 2.57 0.00 1.25 0.40 -1.26 -4.54 117.98 110.33 2oug s PHE 51 Ca -0.16 -2.78 0.00 0.00 -0.60 0.00 0.00 56.93 53.39 2oug s PHE 51 Cb 0.06 -2.34 0.00 0.00 0.51 0.00 0.00 43.02 41.25 2oug s PHE 51 CO 0.64 -0.77 0.00 -2.30 0.70 0.00 0.00 175.22 173.49 2oug n PRO 52 N 3.38 0.00 0.00 0.24 -0.02 -1.26 -2.17 135.00 135.17 2oug n PRO 52 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2oug n PRO 52 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.82 2oug n PRO 52 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2oug n ASN 53 N 0.00 0.00 -4.94 2.55 4.13 -1.26 -4.81 115.26 110.93 2oug n ASN 53 Ca 0.00 0.00 -0.24 0.00 1.68 0.00 0.00 54.58 56.02 2oug n ASN 53 Cb 0.00 0.00 -0.01 0.00 -1.54 0.00 0.00 39.78 38.23 2oug n ASN 53 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2oug s TYR 54 N -1.23 3.49 -0.16 3.10 1.51 -0.92 -0.38 117.35 122.77 2oug s TYR 54 Ca 0.00 0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 2oug s TYR 54 Cb 0.00 -1.87 0.08 0.00 -0.11 0.00 0.00 41.96 40.06 2oug s TYR 54 CO 0.00 0.17 0.26 -1.17 -1.11 0.00 0.00 175.55 173.70 2oug s LEU 55 N -4.19 -0.28 0.35 -1.29 2.96 -0.05 -4.78 118.68 111.39 2oug s LEU 55 Ca 0.39 0.36 -0.26 0.00 -0.22 0.00 0.00 54.13 54.41 2oug s LEU 55 Cb -0.10 0.65 -0.09 0.00 0.50 0.00 0.00 46.19 47.16 2oug s LEU 55 CO 0.35 -0.27 1.08 -0.36 -1.32 0.00 0.00 176.35 175.83 2oug s PHE 56 N 2.41 3.38 -0.04 5.38 0.40 -0.88 -0.96 117.98 127.66 2oug s PHE 56 Ca 0.04 1.66 0.00 0.00 -0.60 0.00 0.00 56.93 58.03 2oug s PHE 56 Cb -0.13 -3.21 0.03 0.00 0.51 0.00 0.00 43.02 40.21 2oug s PHE 56 CO -0.10 -0.65 -0.01 0.08 0.70 0.00 0.00 175.22 175.25 2oug s VAL 57 N -1.44 0.30 -0.23 -0.44 1.01 0.35 -1.53 120.40 118.43 2oug s VAL 57 Ca 0.52 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.53 2oug s VAL 57 Cb -0.27 -0.40 0.01 0.00 0.00 0.00 0.00 36.38 35.72 2oug s VAL 57 CO 0.34 0.19 -0.06 -0.70 0.00 0.00 0.00 175.10 174.87 2oug s GLU 58 N 1.23 3.17 0.34 2.72 2.12 -0.41 0.76 118.70 128.63 2oug s GLU 58 Ca -0.07 -0.75 -0.15 0.00 0.36 0.00 0.00 54.97 54.36 2oug s GLU 58 Cb -0.13 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.33 2oug s GLU 58 CO -0.02 -0.26 0.70 -0.59 -0.54 0.00 0.00 175.26 174.55 2oug s PHE 59 N 1.41 0.20 -0.18 5.30 -0.71 -1.08 -2.70 117.98 120.22 2oug s PHE 59 Ca 0.04 -0.74 -0.04 0.00 -1.04 0.00 0.00 56.93 55.15 2oug s PHE 59 Cb -0.15 0.63 -0.02 0.00 -1.21 0.00 0.00 43.02 42.27 2oug s PHE 59 CO -0.05 -1.39 -0.03 0.34 -1.34 0.00 0.00 175.22 172.76 2oug s ASP 60 N -3.05 4.68 0.44 1.98 2.15 -1.26 -1.76 116.67 119.84 2oug s ASP 60 Ca 0.17 -0.21 0.27 0.00 0.43 0.00 0.00 52.55 53.20 2oug s ASP 60 Cb -0.04 -1.78 1.31 0.00 -0.30 0.00 0.00 42.92 42.11 2oug s ASP 60 CO 0.11 0.10 1.71 -0.65 -0.17 0.00 0.00 175.17 176.27 2oug h PRO 61 N 7.25 0.20 0.00 4.34 0.11 -1.96 0.16 132.00 142.11 2oug h PRO 61 Ca -0.34 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 2oug h PRO 61 Cb 1.18 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 2oug h PRO 61 CO 0.61 0.13 -1.49 -1.91 -0.21 0.00 0.00 178.00 175.14 2oug n GLU 62 N -4.56 0.63 0.12 1.05 2.13 -1.26 -3.57 120.64 115.18 2oug n GLU 62 Ca 0.30 0.01 -0.18 0.00 0.66 0.00 0.00 57.16 57.95 2oug n GLU 62 Cb 1.18 -1.70 -0.14 0.00 0.27 0.00 0.00 31.44 31.05 2oug n GLU 62 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2oug h VAL 63 N 0.00 1.44 -1.80 6.31 2.07 -1.39 -3.43 116.25 119.45 2oug h VAL 63 Ca -0.05 -2.96 -0.13 0.00 0.82 0.00 0.00 66.70 64.39 2oug h VAL 63 Cb 1.13 2.97 -0.29 0.00 -1.52 0.00 0.00 31.29 33.57 2oug h VAL 63 CO 0.01 0.87 -0.46 -0.63 0.02 0.00 0.00 177.57 177.38 2oug s ILE 64 N -2.65 -0.64 0.11 4.57 1.01 0.36 -5.00 121.20 118.95 2oug s ILE 64 Ca -0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2oug s ILE 64 Cb 0.06 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2oug s ILE 64 CO 0.90 -0.11 0.28 -1.38 0.00 0.00 0.00 174.94 174.63 2oug s HIS 65 N 2.58 3.50 0.00 3.97 -3.43 -1.23 -4.05 115.29 116.63 2oug s HIS 65 Ca 0.13 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.67 2oug s HIS 65 Cb -0.15 -1.78 0.00 0.00 -1.43 0.00 0.00 32.58 29.21 2oug s HIS 65 CO -0.17 0.52 0.00 2.41 -2.00 0.00 0.00 174.74 175.50 2oug n THR 66 N -0.09 0.00 -0.15 -5.38 -1.04 -1.26 0.18 114.28 106.54 2oug n THR 66 Ca -0.05 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.93 2oug n THR 66 Cb 0.52 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 69.02 2oug n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 2oug n THR 67 N -1.45 -0.23 0.03 12.58 -1.04 -1.26 -0.79 114.28 122.12 2oug n THR 67 Ca 0.00 0.90 -0.13 0.00 -2.04 0.00 0.00 64.05 62.79 2oug n THR 67 Cb 0.00 -1.15 -0.09 0.00 -1.82 0.00 0.00 70.33 67.27 2oug n THR 67 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2oug h THR 68 N 0.00 1.17 -1.00 12.58 2.02 -0.64 -3.15 112.91 123.89 2oug h THR 68 Ca 0.09 -0.72 0.25 0.00 0.77 0.00 0.00 66.41 66.80 2oug h THR 68 Cb 0.19 1.65 -0.08 0.00 -1.74 0.00 0.00 68.15 68.16 2oug h THR 68 CO -0.36 0.18 0.65 0.40 0.37 0.00 0.00 175.52 176.76 2oug h ILE 69 N -0.38 0.58 -0.20 3.11 1.08 -1.05 0.14 117.51 120.78 2oug h ILE 69 Ca -0.01 -0.14 -0.02 0.00 -0.39 0.00 0.00 64.86 64.31 2oug h ILE 69 Cb 0.34 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.23 2oug h ILE 69 CO 0.01 0.07 0.04 -1.13 -0.69 0.00 0.00 178.15 176.45 2oug h ASN 70 N 0.40 0.31 -0.47 1.72 -0.73 -1.43 -2.27 115.58 113.11 2oug h ASN 70 Ca 0.55 -0.24 0.14 0.00 1.87 0.00 0.00 56.30 58.62 2oug h ASN 70 Cb 1.41 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.90 2oug h ASN 70 CO -0.25 0.48 0.56 0.00 -0.37 0.00 0.00 177.43 177.84 2oug h ALA 71 N 0.85 2.19 -1.72 1.57 0.00 -0.69 -3.39 119.26 118.07 2oug h ALA 71 Ca 0.06 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.26 2oug h ALA 71 Cb 0.29 0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.13 2oug h ALA 71 CO 0.00 -0.80 0.95 2.41 0.00 0.00 0.00 179.25 181.81 2oug n THR 72 N -3.57 0.38 -1.63 0.00 -1.04 -0.85 -4.79 114.28 102.77 2oug n THR 72 Ca 0.09 -0.07 -0.48 0.00 -2.04 0.00 0.00 64.05 61.55 2oug n THR 72 Cb 0.74 -1.43 -0.05 0.00 -1.82 0.00 0.00 70.33 67.77 2oug n THR 72 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2oug n ARG 73 N 5.68 1.95 0.00 -2.82 1.74 -1.26 -1.23 116.66 120.71 2oug n ARG 73 Ca 0.25 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 2oug n ARG 73 Cb 0.19 -2.69 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 2oug n ARG 73 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2oug n GLY 74 N 4.98 0.93 3.59 -0.13 0.00 -1.26 -3.75 105.19 109.54 2oug n GLY 74 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 2oug n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oug s VAL 75 N -2.00 5.08 -0.15 1.61 1.01 -0.37 -1.54 120.40 124.04 2oug s VAL 75 Ca 0.00 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2oug s VAL 75 Cb 0.00 -3.85 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 2oug s VAL 75 CO 0.00 -0.02 0.37 -1.28 0.00 0.00 0.00 175.10 174.18 2oug h SER 76 N 8.24 0.00 -5.08 3.32 0.87 -1.52 -3.46 113.55 115.92 2oug h SER 76 Ca -0.29 -0.57 0.09 0.00 -1.23 0.00 0.00 61.79 59.80 2oug h SER 76 Cb 1.14 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.03 2oug h SER 76 CO 0.72 0.99 0.32 -1.38 -0.53 0.00 0.00 176.83 176.95 2oug s HIS 77 N -2.12 -0.22 0.13 2.24 -3.43 -1.12 -4.99 115.29 105.77 2oug s HIS 77 Ca -0.17 -0.14 -0.01 0.00 -0.80 0.00 0.00 55.06 53.93 2oug s HIS 77 Cb 0.00 0.66 -0.04 0.00 -1.43 0.00 0.00 32.58 31.77 2oug s HIS 77 CO 0.47 -1.03 0.32 -0.06 -2.00 0.00 0.00 174.74 172.44 2oug s PHE 78 N -3.66 3.49 0.43 0.38 0.40 -1.26 0.05 117.98 117.81 2oug s PHE 78 Ca 0.10 0.35 -0.17 0.00 -0.60 0.00 0.00 56.93 56.61 2oug s PHE 78 Cb -0.04 -1.85 -0.09 0.00 0.51 0.00 0.00 43.02 41.55 2oug s PHE 78 CO 0.02 0.48 0.90 0.08 0.70 0.00 0.00 175.22 177.40 2oug s VAL 79 N -1.68 4.53 -0.04 -0.44 1.01 -0.47 -4.90 120.40 118.41 2oug s VAL 79 Ca 0.38 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.58 2oug s VAL 79 Cb -0.12 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.62 2oug s VAL 79 CO 0.27 -0.42 -0.06 -0.13 0.00 0.00 0.00 175.10 174.76 2oug s ARG 80 N -3.46 0.88 0.00 2.72 0.52 -1.26 -0.14 118.95 118.21 2oug s ARG 80 Ca 0.58 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 55.60 2oug s ARG 80 Cb -0.10 -0.84 0.00 0.00 0.52 0.00 0.00 34.95 34.53 2oug s ARG 80 CO 0.21 0.01 0.00 0.34 0.02 0.00 0.00 175.30 175.87 2oug n PHE 81 N 3.68 0.00 -1.59 -0.53 7.35 -1.20 -4.52 117.46 120.65 2oug n PHE 81 Ca -0.22 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.03 2oug n PHE 81 Cb 0.53 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.32 2oug n PHE 81 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2oug n GLY 82 N 2.70 1.02 0.28 7.13 0.00 -1.26 -4.76 105.19 110.29 2oug n GLY 82 Ca 0.00 0.80 -0.01 0.00 0.00 0.00 0.00 46.02 46.81 2oug n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oug n ALA 83 N 11.20 -0.12 0.15 4.61 0.00 -1.26 0.34 120.51 135.43 2oug n ALA 83 Ca 0.31 0.71 -0.12 0.00 0.00 0.00 0.00 53.44 54.33 2oug n ALA 83 Cb 0.42 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.50 2oug n ALA 83 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2oug h SER 84 N 0.00 -1.02 -3.21 0.00 0.87 -1.95 -3.44 113.55 104.81 2oug h SER 84 Ca 0.24 0.09 -0.58 0.00 -1.23 0.00 0.00 61.79 60.31 2oug h SER 84 Cb 0.42 0.35 0.14 0.00 -0.44 0.00 0.00 62.40 62.87 2oug h SER 84 CO -0.71 -0.43 0.15 -2.65 -0.53 0.00 0.00 176.83 172.66 2oug n PRO 85 N -4.51 1.24 -2.87 2.24 -0.02 0.15 -4.98 135.00 126.26 2oug n PRO 85 Ca -0.07 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.50 2oug n PRO 85 Cb 0.30 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2oug n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2oug s ALA 86 N -1.35 3.24 0.31 3.55 0.00 -1.26 -3.27 121.76 122.97 2oug s ALA 86 Ca 0.66 0.41 -0.13 0.00 0.00 0.00 0.00 51.96 52.90 2oug s ALA 86 Cb -0.51 -3.08 -0.08 0.00 0.00 0.00 0.00 23.12 19.44 2oug s ALA 86 CO 0.54 0.21 0.69 0.42 0.00 0.00 0.00 175.76 177.62 2oug s ILE 87 N -1.68 4.76 -0.35 0.00 1.01 0.80 -4.65 121.20 121.09 2oug s ILE 87 Ca 0.50 0.78 -0.07 0.00 0.00 0.00 0.00 60.65 61.86 2oug s ILE 87 Cb -0.17 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2oug s ILE 87 CO 0.22 -0.20 0.13 -0.69 0.00 0.00 0.00 174.94 174.40 2oug s VAL 88 N -1.99 3.91 0.40 2.92 1.01 -1.25 -4.06 120.40 121.34 2oug s VAL 88 Ca 0.52 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 2oug s VAL 88 Cb -0.10 -3.22 -0.09 0.00 0.00 0.00 0.00 36.38 32.97 2oug s VAL 88 CO 0.20 -0.21 1.09 -2.84 0.00 0.00 0.00 175.10 173.35 2oug s PRO 89 N 1.42 4.12 0.56 2.72 0.02 -0.88 -4.94 135.00 138.02 2oug s PRO 89 Ca -0.01 1.63 -0.21 0.00 0.02 0.00 0.00 61.00 62.43 2oug s PRO 89 Cb -0.20 -2.59 -0.05 0.00 0.02 0.00 0.00 34.50 31.68 2oug s PRO 89 CO 0.03 -0.21 1.31 0.45 -0.33 0.00 0.00 177.00 178.25 2oug n SER 90 N -0.02 2.43 -0.29 2.53 2.88 -1.26 -4.42 113.62 115.47 2oug n SER 90 Ca 0.05 0.95 0.21 0.00 -1.33 0.00 0.00 58.87 58.75 2oug n SER 90 Cb 0.48 -1.55 0.51 0.00 -0.75 0.00 0.00 64.21 62.90 2oug n SER 90 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2oug h ALA 91 N 1.27 2.23 0.00 -1.46 0.00 -2.00 0.12 119.26 119.41 2oug h ALA 91 Ca -0.50 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 2oug h ALA 91 Cb 1.31 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2oug h ALA 91 CO 0.56 -0.57 -0.45 0.28 0.00 0.00 0.00 179.25 179.07 2oug h VAL 92 N 0.40 0.82 -0.59 0.00 2.07 -2.00 -2.65 116.25 114.31 2oug h VAL 92 Ca 0.53 -1.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 2oug h VAL 92 Cb 1.34 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 33.35 2oug h VAL 92 CO -0.23 0.44 0.14 0.40 0.02 0.00 0.00 177.57 178.34 2oug h ILE 93 N 0.00 1.25 -0.04 4.57 2.04 -1.11 -3.03 117.51 121.19 2oug h ILE 93 Ca -0.00 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 2oug h ILE 93 Cb 1.23 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 2oug h ILE 93 CO 0.06 0.34 0.02 -0.74 0.00 0.00 0.00 178.15 177.83 2oug h HIS 94 N 0.86 0.06 -0.37 1.37 2.76 -1.41 -3.16 115.15 115.26 2oug h HIS 94 Ca 0.19 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.42 2oug h HIS 94 Cb 0.35 -0.02 -0.09 0.00 1.55 0.00 0.00 27.41 29.21 2oug h HIS 94 CO 0.03 0.09 -0.43 1.96 -1.30 0.00 0.00 177.93 178.27 2oug h GLN 95 N 0.01 -0.34 0.00 5.26 4.20 -1.37 -0.46 115.11 122.40 2oug h GLN 95 Ca 0.02 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2oug h GLN 95 Cb 0.05 0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2oug h GLN 95 CO -0.00 -0.23 0.12 -0.07 -0.67 0.00 0.00 178.83 177.99 2oug h LEU 96 N -0.35 0.00 0.02 1.46 4.07 -1.50 -0.82 115.31 118.19 2oug h LEU 96 Ca 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.03 2oug h LEU 96 Cb 0.59 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.33 2oug h LEU 96 CO -0.55 0.00 -0.24 -1.28 -1.08 0.00 0.00 178.44 175.29 2oug h SER 97 N 0.00 0.18 0.00 -0.43 0.87 -1.09 -3.40 113.55 109.68 2oug h SER 97 Ca 0.00 -0.85 0.00 0.00 -1.23 0.00 0.00 61.79 59.71 2oug h SER 97 Cb 0.25 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 2oug h SER 97 CO 0.00 1.01 0.00 0.52 -0.53 0.00 0.00 176.83 177.83 2oug n VAL 98 N -4.50 0.00 0.07 2.23 0.31 -0.32 -4.61 118.33 111.51 2oug n VAL 98 Ca -0.10 0.20 -0.06 0.00 -0.01 0.00 0.00 64.34 64.36 2oug n VAL 98 Cb 0.53 -1.11 0.11 0.00 -0.91 0.00 0.00 33.84 32.46 2oug n VAL 98 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 2oug h TYR 99 N 0.00 0.40 0.00 3.52 -0.00 -1.85 -3.52 116.97 115.52 2oug h TYR 99 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 58.73 58.58 2oug h TYR 99 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 36.66 2oug h TYR 99 CO 0.00 0.82 0.00 1.63 -0.00 0.00 0.00 178.16 180.61 2oug n LYS 100 N -3.90 0.00 -0.08 0.10 5.02 -1.26 -5.14 118.16 112.90 2oug n LYS 100 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 2oug n LYS 100 Cb 0.61 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.57 2oug n LYS 100 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2oug h LYS 115 N 0.00 0.00 0.00 1.97 3.64 -1.99 -3.51 116.57 116.69 2oug h LYS 115 Ca 0.00 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2oug h LYS 115 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2oug h LYS 115 CO 0.00 0.33 -0.01 -0.39 -2.27 0.00 0.00 179.45 177.11 2oug h VAL 116 N -1.00 0.02 0.00 2.00 -1.51 -2.03 -0.87 116.25 112.86 2oug h VAL 116 Ca -0.12 -0.86 -0.03 0.00 -1.23 0.00 0.00 66.70 64.46 2oug h VAL 116 Cb 0.76 1.84 -0.01 0.00 -2.13 0.00 0.00 31.29 31.76 2oug h VAL 116 CO -0.07 0.01 -1.54 -0.38 -1.23 0.00 0.00 177.57 174.37 2oug n ILE 117 N -3.10 0.13 0.22 7.19 5.41 -1.26 -3.55 119.36 124.40 2oug n ILE 117 Ca 0.03 -0.28 -0.13 0.00 1.00 0.00 0.00 62.75 63.37 2oug n ILE 117 Cb 0.46 0.07 -0.07 0.00 -0.71 0.00 0.00 39.64 39.39 2oug n ILE 117 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2oug h ILE 118 N 0.00 0.37 -0.01 1.39 2.04 -1.96 -2.94 117.51 116.39 2oug h ILE 118 Ca -0.05 -0.55 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 2oug h ILE 118 Cb 0.70 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 2oug h ILE 118 CO 0.00 0.07 -0.01 0.74 0.00 0.00 0.00 178.15 178.95 2oug h THR 119 N -0.99 1.39 0.00 -0.27 2.02 -1.39 -2.23 112.91 111.43 2oug h THR 119 Ca -0.06 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 65.94 2oug h THR 119 Cb 0.57 2.16 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2oug h THR 119 CO 0.10 0.31 0.00 1.21 0.37 0.00 0.00 175.52 177.51 2oug n GLU 120 N -4.82 0.05 -0.12 6.66 2.13 -1.23 -1.11 120.64 122.19 2oug n GLU 120 Ca -0.08 0.42 -0.23 0.00 0.66 0.00 0.00 57.16 57.93 2oug n GLU 120 Cb 0.26 -1.61 -0.09 0.00 0.27 0.00 0.00 31.44 30.27 2oug n GLU 120 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2oug n GLY 121 N -0.73 -0.65 0.40 8.31 0.00 -1.11 -3.89 105.19 107.51 2oug n GLY 121 Ca 0.01 -0.06 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 2oug n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oug h ALA 122 N -0.81 -0.98 -2.53 4.61 0.00 -1.30 -0.56 119.26 117.69 2oug h ALA 122 Ca -0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2oug h ALA 122 Cb 1.36 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2oug h ALA 122 CO -0.27 -1.03 0.00 1.19 0.00 0.00 0.00 179.25 179.14 2oug n PHE 123 N -5.50 0.00 -0.33 0.00 3.01 -0.27 -0.44 117.46 113.95 2oug n PHE 123 Ca -0.14 0.00 0.18 0.00 1.01 0.00 0.00 57.45 58.50 2oug n PHE 123 Cb 0.40 0.00 0.42 0.00 -0.01 0.00 0.00 39.48 40.29 2oug n PHE 123 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 2oug h GLU 124 N 0.00 0.55 -0.10 -1.08 5.08 -1.70 -1.51 114.58 115.81 2oug h GLU 124 Ca 0.00 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2oug h GLU 124 Cb 0.00 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 2oug h GLU 124 CO 0.00 0.36 -0.24 0.78 -1.00 0.00 0.00 179.01 178.91 2oug h GLY 125 N 0.57 -0.28 2.00 -3.84 0.00 -0.42 -2.02 103.07 99.08 2oug h GLY 125 Ca 0.58 0.29 -0.10 0.00 0.00 0.00 0.00 47.33 48.10 2oug h GLY 125 CO -0.34 -0.20 -0.48 0.74 0.00 0.00 0.00 176.54 176.26 2oug h PHE 126 N -0.32 0.00 -0.85 5.60 -1.00 0.25 -1.75 116.94 118.88 2oug h PHE 126 Ca 0.09 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.89 2oug h PHE 126 Cb 0.45 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 39.97 2oug h PHE 126 CO -0.33 0.48 0.56 0.37 -1.61 0.00 0.00 178.31 177.78 2oug h GLN 127 N 0.00 1.09 -0.32 1.51 4.15 -0.78 0.31 115.11 121.07 2oug h GLN 127 Ca -0.00 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.20 2oug h GLN 127 Cb 0.95 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2oug h GLN 127 CO 0.06 0.72 -0.40 0.00 -1.93 0.00 0.00 178.83 177.28 2oug h ALA 128 N 1.32 0.68 -0.07 3.38 0.00 -1.04 -2.46 119.26 121.07 2oug h ALA 128 Ca 0.32 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 2oug h ALA 128 Cb -0.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2oug h ALA 128 CO -0.08 0.67 -0.39 0.82 0.00 0.00 0.00 179.25 180.27 2oug h ILE 129 N 0.64 1.29 -0.05 0.00 2.04 -0.58 -2.60 117.51 118.25 2oug h ILE 129 Ca 0.05 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.50 2oug h ILE 129 Cb 0.96 1.68 0.00 0.00 -0.74 0.00 0.00 36.82 38.71 2oug h ILE 129 CO 0.09 0.41 0.00 0.49 0.00 0.00 0.00 178.15 179.14 2oug n PHE 130 N -4.06 0.05 0.20 1.37 0.99 0.03 -3.21 117.46 112.84 2oug n PHE 130 Ca -0.02 -0.03 0.02 0.00 -0.00 0.00 0.00 57.45 57.43 2oug n PHE 130 Cb 0.44 0.00 0.01 0.00 -1.00 0.00 0.00 39.48 38.93 2oug n PHE 130 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 2oug n THR 131 N -0.25 0.00 -2.88 4.37 -1.04 -0.94 -4.98 114.28 108.56 2oug n THR 131 Ca 0.18 -0.47 -0.43 0.00 -2.04 0.00 0.00 64.05 61.30 2oug n THR 131 Cb 0.23 1.07 -0.04 0.00 -1.82 0.00 0.00 70.33 69.77 2oug n THR 131 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2oug s GLU 132 N -0.71 3.72 0.20 -2.82 2.56 -1.04 -4.97 118.70 115.63 2oug s GLU 132 Ca 0.04 0.35 -0.16 0.00 0.00 0.00 0.00 54.97 55.20 2oug s GLU 132 Cb 0.04 -3.84 0.18 0.00 2.00 0.00 0.00 34.13 32.52 2oug s GLU 132 CO 0.10 -0.97 1.62 -1.35 -0.56 0.00 0.00 175.26 174.09 2oug h PRO 133 N 8.62 -0.07 -6.34 4.30 0.11 -1.93 -3.42 132.00 133.28 2oug h PRO 133 Ca -0.24 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.21 2oug h PRO 133 Cb 1.08 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.06 2oug h PRO 133 CO 0.96 -0.05 -0.69 0.16 -0.21 0.00 0.00 178.00 178.17 2oug s ASP 134 N -5.19 4.76 0.14 -2.05 -4.77 -1.26 -5.03 116.67 103.27 2oug s ASP 134 Ca -0.14 -0.18 -0.14 0.00 -3.30 0.00 0.00 52.55 48.78 2oug s ASP 134 Cb 0.18 -1.10 0.01 0.00 -1.09 0.00 0.00 42.92 40.92 2oug s ASP 134 CO 0.72 0.23 1.64 1.23 0.70 0.00 0.00 175.17 179.69 2oug h GLY 135 N 4.01 0.80 0.37 2.12 0.00 -1.81 -2.96 103.07 105.59 2oug h GLY 135 Ca -0.48 -0.51 0.18 0.00 0.00 0.00 0.00 47.33 46.53 2oug h GLY 135 CO 0.56 0.47 0.59 -2.09 0.00 0.00 0.00 176.54 176.06 2oug h GLU 136 N 0.61 0.48 -0.41 4.80 4.57 -1.94 0.83 114.58 123.53 2oug h GLU 136 Ca 0.14 -0.03 -0.12 0.00 -1.18 0.00 0.00 59.36 58.17 2oug h GLU 136 Cb 0.34 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2oug h GLU 136 CO 0.00 0.32 -0.23 0.00 -1.18 0.00 0.00 179.01 177.93 2oug h ALA 137 N 1.61 0.83 -0.20 2.92 0.00 -1.93 -2.87 119.26 119.63 2oug h ALA 137 Ca 0.47 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2oug h ALA 137 Cb 1.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2oug h ALA 137 CO -0.20 0.64 -0.27 0.00 0.00 0.00 0.00 179.25 179.43 2oug h ARG 138 N 0.71 0.37 -0.40 0.00 3.08 0.52 -2.46 114.38 116.21 2oug h ARG 138 Ca 0.10 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 2oug h ARG 138 Cb 0.75 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2oug h ARG 138 CO 0.06 0.61 0.20 0.77 -1.07 0.00 0.00 179.97 180.54 2oug h SER 139 N 0.33 0.51 -0.05 7.04 0.02 -0.08 0.31 113.55 121.63 2oug h SER 139 Ca 0.05 -0.12 0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2oug h SER 139 Cb 0.65 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 2oug h SER 139 CO 0.05 0.48 -0.12 0.24 -1.14 0.00 0.00 176.83 176.35 2oug h MET 140 N 0.50 -0.17 -0.70 3.45 2.86 -1.41 -0.01 114.93 119.46 2oug h MET 140 Ca 0.14 0.01 0.11 0.00 -2.06 0.00 0.00 59.70 57.89 2oug h MET 140 Cb 0.10 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 2oug h MET 140 CO -0.02 -0.11 0.46 -0.07 1.06 0.00 0.00 176.91 178.23 2oug h LEU 141 N -0.17 0.48 -0.07 1.22 3.38 -0.94 0.29 115.31 119.50 2oug h LEU 141 Ca 0.06 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.79 2oug h LEU 141 Cb 0.25 -0.09 0.02 0.00 0.09 0.00 0.00 40.66 40.94 2oug h LEU 141 CO -0.15 0.28 -0.94 0.25 0.09 0.00 0.00 178.44 177.97 2oug h LEU 142 N 0.53 0.93 -0.25 1.67 5.85 0.17 -1.21 115.31 123.00 2oug h LEU 142 Ca 0.33 -0.69 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2oug h LEU 142 Cb 0.56 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2oug h LEU 142 CO -0.11 1.49 0.07 -0.07 -0.34 0.00 0.00 178.44 179.48 2oug h LEU 143 N 0.46 0.38 -0.84 2.25 3.38 -0.02 0.26 115.31 121.17 2oug h LEU 143 Ca -0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.64 2oug h LEU 143 Cb 1.58 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.19 2oug h LEU 143 CO 0.19 0.50 0.49 0.78 0.09 0.00 0.00 178.44 180.48 2oug h ASN 144 N 0.23 1.03 0.38 -0.43 2.35 -0.48 0.23 115.58 118.89 2oug h ASN 144 Ca 0.08 -0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 2oug h ASN 144 Cb 0.26 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 2oug h ASN 144 CO -0.00 0.81 -0.43 0.25 -1.65 0.00 0.00 177.43 176.41 2oug h LEU 145 N 1.16 0.07 -0.08 1.61 5.85 -0.91 -1.18 115.31 121.83 2oug h LEU 145 Ca 0.30 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.89 2oug h LEU 145 Cb -0.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.00 2oug h LEU 145 CO -0.05 0.49 -0.35 0.40 -0.34 0.00 0.00 178.44 178.59 2oug h ILE 146 N 0.06 1.41 -0.41 4.05 2.04 0.18 -2.12 117.51 122.72 2oug h ILE 146 Ca 0.00 -1.73 0.04 0.00 1.00 0.00 0.00 64.86 64.17 2oug h ILE 146 Cb 0.79 2.29 -0.04 0.00 -0.74 0.00 0.00 36.82 39.11 2oug h ILE 146 CO 0.06 0.50 0.18 -1.13 0.00 0.00 0.00 178.15 177.77 2oug h ASN 147 N -0.10 0.25 0.08 1.72 -0.73 -0.78 0.29 115.58 116.31 2oug h ASN 147 Ca -0.02 0.03 -0.00 0.00 1.87 0.00 0.00 56.30 58.17 2oug h ASN 147 Cb 1.00 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.57 2oug h ASN 147 CO 0.07 0.18 -0.06 0.11 -0.37 0.00 0.00 177.43 177.37 2oug h LYS 148 N 0.38 -0.13 -0.97 6.67 1.57 -1.24 -2.55 116.57 120.30 2oug h LYS 148 Ca 0.18 0.01 0.36 0.00 -1.87 0.00 0.00 60.65 59.33 2oug h LYS 148 Cb 0.11 0.03 -0.18 0.00 0.08 0.00 0.00 32.23 32.28 2oug h LYS 148 CO -0.15 -0.08 0.35 0.39 -0.57 0.00 0.00 179.45 179.39 2oug n GLU 149 N -2.55 -0.06 0.18 3.15 -0.58 -0.80 -0.08 120.64 119.90 2oug n GLU 149 Ca -0.02 1.37 -0.14 0.00 -0.42 0.00 0.00 57.16 57.96 2oug n GLU 149 Cb 0.06 -2.37 -0.08 0.00 -0.57 0.00 0.00 31.44 28.48 2oug n GLU 149 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2oug h ILE 150 N 0.00 0.68 -0.95 -3.67 2.04 -0.85 -0.94 117.51 113.83 2oug h ILE 150 Ca 0.74 -0.38 0.20 0.00 1.00 0.00 0.00 64.86 66.42 2oug h ILE 150 Cb 1.85 0.88 -0.08 0.00 -0.74 0.00 0.00 36.82 38.73 2oug h ILE 150 CO -0.80 0.08 0.61 0.11 0.00 0.00 0.00 178.15 178.14 2oug h LYS 151 N -0.67 0.52 -0.22 2.37 1.57 -0.06 0.52 116.57 120.60 2oug h LYS 151 Ca -0.05 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2oug h LYS 151 Cb 0.47 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 2oug h LYS 151 CO 0.08 0.34 -0.03 1.25 -0.57 0.00 0.00 179.45 180.52 2oug h HIS 152 N 0.53 0.34 -0.16 -1.35 2.76 -0.68 -0.23 115.15 116.35 2oug h HIS 152 Ca 0.51 -0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.59 2oug h HIS 152 Cb 1.09 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 2oug h HIS 152 CO -0.00 0.38 -0.14 0.77 -1.30 0.00 0.00 177.93 177.63 2oug h SER 153 N 0.32 0.41 0.00 3.26 0.02 0.14 -2.77 113.55 114.93 2oug h SER 153 Ca 0.07 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2oug h SER 153 Cb 0.27 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2oug h SER 153 CO 0.01 0.79 0.00 0.52 -1.14 0.00 0.00 176.83 177.01 2oug n VAL 154 N -4.54 0.00 -0.60 2.27 0.31 -0.89 -3.74 118.33 111.14 2oug n VAL 154 Ca -0.06 0.84 0.47 0.00 -0.01 0.00 0.00 64.34 65.59 2oug n VAL 154 Cb 0.36 -1.65 0.76 0.00 -0.91 0.00 0.00 33.84 32.40 2oug n VAL 154 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2oug h LYS 155 N 0.00 0.01 -0.02 5.55 1.57 -1.22 -3.51 116.57 118.94 2oug h LYS 155 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2oug h LYS 155 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2oug h LYS 155 CO 0.00 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.97