#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4h s ALA 3 N 0.00 2.37 0.00 4.61 0.00 -1.26 -4.91 121.76 122.57 2k4h s ALA 3 Ca 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 50.94 2k4h s ALA 3 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 23.12 22.32 2k4h s ALA 3 CO 0.00 0.46 0.00 -2.13 0.00 0.00 0.00 175.76 174.09 2k4h n ARG 4 N 2.74 0.00 -2.87 0.00 0.63 -1.26 -5.17 116.66 110.73 2k4h n ARG 4 Ca -0.17 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.73 2k4h n ARG 4 Cb 0.52 0.00 0.01 0.00 0.45 0.00 0.00 32.46 33.44 2k4h n ARG 4 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 2k4h n ASN 5 N -1.33 -1.18 -4.81 6.15 6.94 -1.26 -5.16 115.26 114.61 2k4h n ASN 5 Ca 0.00 -1.69 -0.37 0.00 -0.02 0.00 0.00 54.58 52.50 2k4h n ASN 5 Cb 0.00 1.93 -0.06 0.00 -2.36 0.00 0.00 39.78 39.29 2k4h n ASN 5 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2k4h s SER 6 N -2.44 6.58 -0.23 0.53 1.04 -1.26 -4.99 113.70 112.93 2k4h s SER 6 Ca 0.13 0.69 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 2k4h s SER 6 Cb -0.02 -2.18 -0.11 0.00 0.10 0.00 0.00 66.02 63.80 2k4h s SER 6 CO 0.05 0.27 -0.27 0.52 0.98 0.00 0.00 173.24 174.79 2k4h n VAL 7 N 2.43 1.27 -1.96 5.02 0.31 -1.26 -4.94 118.33 119.20 2k4h n VAL 7 Ca -0.15 -0.37 -0.42 0.00 -0.01 0.00 0.00 64.34 63.39 2k4h n VAL 7 Cb 0.53 -1.66 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 2k4h n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2k4h s LEU 8 N -6.97 4.35 0.00 7.52 1.43 -1.26 -5.00 118.68 118.75 2k4h s LEU 8 Ca -0.32 2.37 -0.08 0.00 -1.03 0.00 0.00 54.13 55.08 2k4h s LEU 8 Cb 0.11 -3.55 0.11 0.00 0.03 0.00 0.00 46.19 42.89 2k4h s LEU 8 CO 0.44 -0.90 0.42 -1.14 0.23 0.00 0.00 176.35 175.40 2k4h n ARG 9 N 6.29 -1.65 -0.08 1.70 3.00 -1.26 -4.84 116.66 119.82 2k4h n ARG 9 Ca 0.16 -0.67 -0.12 0.00 -0.00 0.00 0.00 57.85 57.23 2k4h n ARG 9 Cb 0.42 -0.60 -0.07 0.00 0.00 0.00 0.00 32.46 32.20 2k4h n ARG 9 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k4h h GLY 10 N -1.25 0.00 1.95 5.14 0.00 -1.99 -2.99 103.07 103.93 2k4h h GLY 10 Ca -0.15 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 46.99 2k4h h GLY 10 CO 0.10 0.00 -0.85 1.70 0.00 0.00 0.00 176.54 177.49 2k4h h LYS 11 N -1.00 0.04 -0.18 4.80 3.64 -2.02 -3.27 116.57 118.59 2k4h h LYS 11 Ca -0.12 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.01 2k4h h LYS 11 Cb 0.81 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.65 2k4h h LYS 11 CO -0.07 0.87 -0.69 0.87 -2.27 0.00 0.00 179.45 178.15 2k4h h LYS 12 N 0.02 0.78 -0.98 1.90 1.57 -1.97 -3.20 116.57 114.69 2k4h h LYS 12 Ca -0.02 -0.60 0.19 0.00 -1.87 0.00 0.00 60.65 58.35 2k4h h LYS 12 Cb 1.50 0.11 -0.11 0.00 0.08 0.00 0.00 32.23 33.82 2k4h h LYS 12 CO 0.12 1.21 0.58 0.00 -0.57 0.00 0.00 179.45 180.79 2k4h h ALA 13 N 0.57 1.62 0.48 3.86 0.00 -1.57 -2.07 119.26 122.14 2k4h h ALA 13 Ca -0.04 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k4h h ALA 13 Cb 1.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2k4h h ALA 13 CO 0.14 -0.06 -0.45 0.22 0.00 0.00 0.00 179.25 179.11 2k4h h ASP 14 N 0.74 -1.21 -1.07 0.00 3.58 -1.63 0.92 116.42 117.75 2k4h h ASP 14 Ca 0.57 0.10 0.30 0.00 0.42 0.00 0.00 57.03 58.41 2k4h h ASP 14 Cb 0.88 0.40 -0.05 0.00 1.72 0.00 0.00 39.33 42.27 2k4h h ASP 14 CO -0.39 -0.61 0.75 -0.33 -2.88 0.00 0.00 179.24 175.78 2k4h h GLU 15 N -0.93 0.09 0.03 0.28 3.07 -1.48 0.43 114.58 116.08 2k4h h GLU 15 Ca -0.05 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.80 2k4h h GLU 15 Cb 0.81 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 2k4h h GLU 15 CO -0.05 0.06 -0.01 1.25 -1.40 0.00 0.00 179.01 178.86 2k4h h LEU 16 N 0.10 -0.03 -0.26 1.33 7.12 -0.97 -3.20 115.31 119.39 2k4h h LEU 16 Ca 0.53 -0.69 0.00 0.00 0.13 0.00 0.00 57.88 57.85 2k4h h LEU 16 Cb 1.92 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 42.06 2k4h h LEU 16 CO -0.07 0.72 0.00 -0.62 -0.13 0.00 0.00 178.44 178.34 2k4h n GLU 17 N -4.74 0.07 0.06 1.25 1.02 0.22 -2.50 120.64 116.01 2k4h n GLU 17 Ca -0.09 0.33 -0.20 0.00 -0.02 0.00 0.00 57.16 57.19 2k4h n GLU 17 Cb 0.35 -1.63 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 2k4h n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4h h ARG 18 N 0.00 0.62 -6.54 3.49 3.08 -0.22 -3.40 114.38 111.41 2k4h h ARG 18 Ca 0.00 -0.73 -0.53 0.00 0.07 0.00 0.00 59.98 58.79 2k4h h ARG 18 Cb 0.26 0.22 0.03 0.00 0.08 0.00 0.00 29.97 30.57 2k4h h ARG 18 CO 0.00 1.31 0.89 0.42 -1.07 0.00 0.00 179.97 181.52 2k4h s ILE 19 N -3.18 2.90 0.03 2.04 1.01 -1.04 -4.94 121.20 118.01 2k4h s ILE 19 Ca -0.09 0.56 -0.20 0.00 0.00 0.00 0.00 60.65 60.92 2k4h s ILE 19 Cb 0.07 -3.36 -0.06 0.00 0.01 0.00 0.00 42.46 39.12 2k4h s ILE 19 CO 0.92 0.03 0.58 -0.13 0.00 0.00 0.00 174.94 176.33 2k4h s ARG 20 N 1.65 4.26 0.44 2.79 0.52 0.07 -2.08 118.95 126.59 2k4h s ARG 20 Ca 0.70 0.72 0.14 0.00 -0.52 0.00 0.00 55.73 56.77 2k4h s ARG 20 Cb -0.41 -3.29 1.04 0.00 0.52 0.00 0.00 34.95 32.81 2k4h s ARG 20 CO 0.31 0.50 2.00 -0.07 0.02 0.00 0.00 175.30 178.06 2k4h h LEU 21 N 5.12 0.34 -8.82 2.53 3.38 -0.84 0.24 115.31 117.28 2k4h h LEU 21 Ca -0.47 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.09 2k4h h LEU 21 Cb 1.21 -0.07 -0.14 0.00 0.09 0.00 0.00 40.66 41.74 2k4h h LEU 21 CO 0.67 0.21 -0.73 -0.13 0.09 0.00 0.00 178.44 178.55 2k4h s ARG 22 N -5.37 1.24 0.27 1.13 3.00 -1.26 -3.86 118.95 114.10 2k4h s ARG 22 Ca -0.07 -1.55 0.05 0.00 0.00 0.00 0.00 55.73 54.16 2k4h s ARG 22 Cb 0.19 -0.95 0.37 0.00 0.00 0.00 0.00 34.95 34.56 2k4h s ARG 22 CO 0.74 0.14 1.65 -1.00 0.00 0.00 0.00 175.30 176.84 2k4h h PRO 23 N 2.63 0.28 -0.09 3.54 0.13 -1.93 -3.26 132.00 133.29 2k4h h PRO 23 Ca -0.38 -0.15 -0.09 0.00 -0.87 0.00 0.00 66.00 64.51 2k4h h PRO 23 Cb 1.21 0.01 -0.11 0.00 0.13 0.00 0.00 31.00 32.24 2k4h h PRO 23 CO 0.63 0.69 -0.62 0.41 -0.23 0.00 0.00 178.00 178.87 2k4h n GLY 24 N -0.05 4.65 2.32 1.56 0.00 -1.26 -5.01 105.19 107.41 2k4h n GLY 24 Ca -0.02 -1.40 -0.15 0.00 0.00 0.00 0.00 46.02 44.46 2k4h n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k4h n GLY 25 N -0.84 2.71 0.03 -0.02 0.00 -1.23 -5.05 105.19 100.79 2k4h n GLY 25 Ca 0.20 -2.24 0.02 0.00 0.00 0.00 0.00 46.02 44.00 2k4h n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4h n LYS 26 N -1.37 2.09 -4.20 1.61 5.02 -1.26 -4.90 118.16 115.16 2k4h n LYS 26 Ca 0.01 -1.50 -0.35 0.00 -2.02 0.00 0.00 58.31 54.44 2k4h n LYS 26 Cb 0.38 -0.98 -0.09 0.00 -0.02 0.00 0.00 35.03 34.32 2k4h n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2k4h s LYS 27 N -1.12 3.31 0.42 1.97 1.02 -1.26 -5.05 119.74 119.03 2k4h s LYS 27 Ca 0.05 -0.34 0.07 0.00 0.02 0.00 0.00 55.97 55.78 2k4h s LYS 27 Cb 0.05 -2.97 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 2k4h s LYS 27 CO 0.01 0.62 0.17 0.15 -0.92 0.00 0.00 175.35 175.37 2k4h s LYS 28 N -0.62 2.20 0.56 1.68 1.02 -1.26 -0.16 119.74 123.15 2k4h s LYS 28 Ca 0.11 -1.90 -0.19 0.00 0.02 0.00 0.00 55.97 54.01 2k4h s LYS 28 Cb -0.12 -1.93 -0.05 0.00 -0.52 0.00 0.00 37.83 35.21 2k4h s LYS 28 CO 0.02 -0.14 1.14 0.71 -0.92 0.00 0.00 175.35 176.16 2k4h s TYR 29 N -2.63 2.63 0.28 3.18 2.02 -0.88 -4.71 117.35 117.24 2k4h s TYR 29 Ca 0.39 1.54 -0.14 0.00 -0.37 0.00 0.00 57.07 58.49 2k4h s TYR 29 Cb 0.04 -3.30 0.01 0.00 -0.40 0.00 0.00 41.96 38.31 2k4h s TYR 29 CO 0.21 -1.66 0.58 0.50 -1.57 0.00 0.00 175.55 173.61 2k4h s ARG 30 N -3.35 1.74 0.50 -0.62 3.52 -1.26 -4.28 118.95 115.20 2k4h s ARG 30 Ca 0.73 -1.26 0.26 0.00 -0.13 0.00 0.00 55.73 55.32 2k4h s ARG 30 Cb -0.24 0.52 1.35 0.00 -1.56 0.00 0.00 34.95 35.02 2k4h s ARG 30 CO 0.29 -0.76 1.92 -0.07 -0.81 0.00 0.00 175.30 175.87 2k4h h LEU 31 N 2.14 0.11 -0.57 -0.88 3.38 -2.00 -0.89 115.31 116.60 2k4h h LEU 31 Ca -0.25 0.01 0.11 0.00 0.09 0.00 0.00 57.88 57.84 2k4h h LEU 31 Cb 1.25 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.90 2k4h h LEU 31 CO 0.33 0.05 0.10 0.50 0.09 0.00 0.00 178.44 179.50 2k4h h LYS 32 N 0.11 0.22 -0.00 1.13 3.64 -1.99 0.33 116.57 120.00 2k4h h LYS 32 Ca 0.38 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 2k4h h LYS 32 Cb 1.34 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.10 2k4h h LYS 32 CO -0.05 0.14 -0.38 0.45 -2.27 0.00 0.00 179.45 177.35 2k4h h HIS 33 N 0.22 0.00 -0.22 1.91 3.86 -1.57 -2.85 115.15 116.50 2k4h h HIS 33 Ca 0.30 -0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.34 2k4h h HIS 33 Cb 0.44 -0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.91 2k4h h HIS 33 CO -0.26 0.38 -0.54 0.82 0.86 0.00 0.00 177.93 179.19 2k4h h ILE 34 N 0.00 1.31 0.74 2.45 2.04 -0.95 -2.19 117.51 120.90 2k4h h ILE 34 Ca -0.00 -1.76 -0.04 0.00 1.00 0.00 0.00 64.86 64.06 2k4h h ILE 34 Cb 0.68 1.71 0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2k4h h ILE 34 CO 0.05 0.56 -0.35 0.58 0.00 0.00 0.00 178.15 178.98 2k4h h VAL 35 N 0.51 0.14 -0.21 1.67 2.07 -1.02 -1.91 116.25 117.50 2k4h h VAL 35 Ca 0.01 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k4h h VAL 35 Cb 1.10 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2k4h h VAL 35 CO 0.11 0.01 0.15 -0.25 0.02 0.00 0.00 177.57 177.61 2k4h h TRP 36 N -1.16 0.10 -0.11 1.57 7.01 -1.59 -1.63 115.95 120.13 2k4h h TRP 36 Ca -0.10 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 60.89 2k4h h TRP 36 Cb 0.78 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.80 2k4h h TRP 36 CO -0.00 0.06 0.02 0.00 -2.79 0.00 0.00 178.44 175.73 2k4h h ALA 37 N 1.89 0.14 -0.66 2.65 0.00 -1.22 -2.96 119.26 119.10 2k4h h ALA 37 Ca 0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 2k4h h ALA 37 Cb 0.26 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2k4h h ALA 37 CO -0.01 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.12 2k4h h ALA 38 N 0.81 0.88 -0.87 0.00 0.00 -0.72 -2.70 119.26 116.65 2k4h h ALA 38 Ca 0.03 -0.27 0.18 0.00 0.00 0.00 0.00 54.91 54.85 2k4h h ALA 38 Cb 0.26 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2k4h h ALA 38 CO 0.00 0.64 0.57 -0.91 0.00 0.00 0.00 179.25 179.56 2k4h h ASN 39 N 1.01 0.45 -0.22 0.00 2.35 -1.25 0.79 115.58 118.71 2k4h h ASN 39 Ca 0.20 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 55.84 2k4h h ASN 39 Cb 0.44 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 2k4h h ASN 39 CO 0.01 0.20 -0.40 0.11 -1.65 0.00 0.00 177.43 175.70 2k4h h LYS 40 N 0.46 0.77 0.29 0.81 1.79 -1.31 -2.89 116.57 116.48 2k4h h LYS 40 Ca 0.44 -0.40 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 2k4h h LYS 40 Cb 1.02 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2k4h h LYS 40 CO -0.17 1.03 -0.14 -0.07 -1.08 0.00 0.00 179.45 179.02 2k4h h LEU 41 N 0.63 -0.33 -0.42 2.94 3.38 -0.81 0.18 115.31 120.88 2k4h h LEU 41 Ca 0.05 -0.08 0.09 0.00 0.09 0.00 0.00 57.88 58.03 2k4h h LEU 41 Cb 0.96 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 41.71 2k4h h LEU 41 CO 0.09 -0.13 -0.12 -0.78 0.09 0.00 0.00 178.44 177.59 2k4h h ASP 42 N -0.52 -0.44 0.49 -0.43 1.82 -0.95 0.43 116.42 116.83 2k4h h ASP 42 Ca -0.04 0.13 -0.02 0.00 -0.39 0.00 0.00 57.03 56.71 2k4h h ASP 42 Cb 0.38 0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.68 2k4h h ASP 42 CO 0.06 -0.16 -0.24 0.03 -1.61 0.00 0.00 179.24 177.33 2k4h h ARG 43 N -0.02 -0.63 -0.68 0.28 2.47 -1.43 -3.15 114.38 111.21 2k4h h ARG 43 Ca 0.20 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.11 2k4h h ARG 43 Cb 0.33 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 28.69 2k4h h ARG 43 CO -0.45 -0.34 0.08 0.74 0.56 0.00 0.00 179.97 180.56 2k4h h PHE 44 N -0.88 0.09 0.00 3.04 0.04 -0.32 -3.45 116.94 115.46 2k4h h PHE 44 Ca -0.07 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.75 2k4h h PHE 44 Cb 0.59 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.80 2k4h h PHE 44 CO -0.00 -0.14 0.00 0.41 -0.60 0.00 0.00 178.31 177.98 2k4h n GLY 45 N -1.36 0.25 3.95 -1.45 0.00 0.87 -5.08 105.19 102.37 2k4h n GLY 45 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 2k4h n GLY 45 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k4h s LEU 46 N 0.00 3.37 0.38 0.99 1.43 0.11 -4.93 118.68 120.03 2k4h s LEU 46 Ca 0.00 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2k4h s LEU 46 Cb 0.00 -3.12 -0.01 0.00 0.03 0.00 0.00 46.19 43.09 2k4h s LEU 46 CO 0.00 -1.00 0.55 0.00 0.23 0.00 0.00 176.35 176.13 2k4h s ALA 47 N -2.77 3.98 -0.61 4.21 0.00 -1.26 -2.31 121.76 123.00 2k4h s ALA 47 Ca 0.53 -1.24 0.25 0.00 0.00 0.00 0.00 51.96 51.50 2k4h s ALA 47 Cb -0.10 -1.90 0.54 0.00 0.00 0.00 0.00 23.12 21.66 2k4h s ALA 47 CO 0.40 -0.15 1.59 1.05 0.00 0.00 0.00 175.76 178.64 2k4h h GLU 48 N 0.70 0.00 0.00 0.00 9.09 -1.93 -3.21 114.58 119.23 2k4h h GLU 48 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 2k4h h GLU 48 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 2k4h h GLU 48 CO 0.56 0.00 0.00 0.43 0.05 0.00 0.00 179.01 180.05 2k4h n SER 49 N -2.45 0.12 0.03 3.06 7.64 -1.26 -1.92 113.62 118.84 2k4h n SER 49 Ca 0.04 0.53 0.13 0.00 1.01 0.00 0.00 58.87 60.59 2k4h n SER 49 Cb 0.46 -0.56 0.49 0.00 -1.01 0.00 0.00 64.21 63.60 2k4h n SER 49 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k4h n LEU 50 N -1.63 0.33 -0.00 -3.43 4.77 -1.21 -3.10 117.00 112.71 2k4h n LEU 50 Ca 0.03 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 2k4h n LEU 50 Cb 0.18 -0.40 0.40 0.00 -2.33 0.00 0.00 43.42 41.27 2k4h n LEU 50 CO 0.15 -0.04 0.65 0.18 -1.33 0.00 0.00 177.39 177.00 2k4h n LEU 51 N -1.76 0.31 -0.81 2.23 4.77 -0.81 -1.57 117.00 119.37 2k4h n LEU 51 Ca 0.06 0.19 0.02 0.00 -0.03 0.00 0.00 56.01 56.25 2k4h n LEU 51 Cb 0.37 -0.34 0.20 0.00 -2.33 0.00 0.00 43.42 41.32 2k4h n LEU 51 CO 0.29 0.08 0.59 -1.84 -1.33 0.00 0.00 177.39 175.18 2k4h n GLU 52 N -1.48 1.86 -3.69 3.23 0.28 -1.18 -4.92 120.64 114.72 2k4h n GLU 52 Ca 0.06 -3.07 -0.12 0.00 -0.16 0.00 0.00 57.16 53.87 2k4h n GLU 52 Cb 0.34 -1.72 -0.12 0.00 1.43 0.00 0.00 31.44 31.36 2k4h n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2k4h s SER 53 N -2.68 -0.17 0.12 -1.84 0.15 -1.24 -5.05 113.70 102.99 2k4h s SER 53 Ca 0.41 0.70 -0.22 0.00 0.70 0.00 0.00 55.95 57.53 2k4h s SER 53 Cb 0.37 0.70 -0.05 0.00 -1.71 0.00 0.00 66.02 65.33 2k4h s SER 53 CO -0.00 -0.20 1.69 0.50 1.20 0.00 0.00 173.24 176.43 2k4h h LYS 54 N 7.58 -0.12 0.00 5.44 3.64 -1.91 0.24 116.57 131.45 2k4h h LYS 54 Ca -0.30 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2k4h h LYS 54 Cb 1.15 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 2k4h h LYS 54 CO 0.26 -0.08 -0.02 1.49 -2.27 0.00 0.00 179.45 178.83 2k4h h GLU 55 N -0.12 0.00 0.02 1.90 4.81 -1.97 -2.04 114.58 117.18 2k4h h GLU 55 Ca 0.07 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 2k4h h GLU 55 Cb 0.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.61 2k4h h GLU 55 CO -0.18 0.02 -0.01 0.78 -0.73 0.00 0.00 179.01 178.90 2k4h h GLY 56 N 0.09 -0.02 1.06 1.92 0.00 -1.42 -3.17 103.07 101.53 2k4h h GLY 56 Ca -0.00 0.01 0.12 0.00 0.00 0.00 0.00 47.33 47.45 2k4h h GLY 56 CO 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 176.54 176.90 2k4h h GLN 58 N 0.20 0.00 0.00 0.00 -0.00 -1.46 -2.52 115.11 111.32 2k4h h GLN 58 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 2k4h h GLN 58 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.19 2k4h h GLN 58 CO -0.04 0.43 0.00 -0.22 0.00 0.00 0.00 178.83 179.00 2k4h h LYS 59 N 0.00 0.00 0.11 1.69 3.11 -0.70 -3.01 116.57 117.77 2k4h h LYS 59 Ca -0.00 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 57.52 2k4h h LYS 59 Cb 0.87 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.09 2k4h h LYS 59 CO 0.06 0.00 -1.67 0.82 -2.81 0.00 0.00 179.45 175.85 2k4h h ILE 60 N 0.00 0.83 0.00 2.00 2.04 -1.25 -3.35 117.51 117.78 2k4h h ILE 60 Ca 0.00 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.48 2k4h h ILE 60 Cb 0.68 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 39.30 2k4h h ILE 60 CO 0.00 0.74 -0.14 -0.07 0.00 0.00 0.00 178.15 178.67 2k4h h LEU 61 N -0.23 0.00 -1.28 1.44 3.38 -1.51 0.27 115.31 117.38 2k4h h LEU 61 Ca -0.37 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.53 2k4h h LEU 61 Cb 1.83 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2k4h h LEU 61 CO 0.04 0.14 -0.35 0.00 0.09 0.00 0.00 178.44 178.36 2k4h h THR 62 N 0.00 1.17 0.04 0.22 1.03 -1.67 0.27 112.91 113.98 2k4h h THR 62 Ca -0.00 -1.25 -0.34 0.00 -0.01 0.00 0.00 66.41 64.81 2k4h h THR 62 Cb 0.28 1.69 -0.04 0.00 -1.07 0.00 0.00 68.15 69.01 2k4h h THR 62 CO 0.02 0.35 -1.99 0.52 -0.01 0.00 0.00 175.52 174.41 2k4h n VAL 63 N -4.00 1.62 0.14 0.00 0.31 -0.69 -4.18 118.33 111.54 2k4h n VAL 63 Ca -0.02 -0.73 0.02 0.00 -0.01 0.00 0.00 64.34 63.60 2k4h n VAL 63 Cb 0.40 -1.23 0.09 0.00 -0.91 0.00 0.00 33.84 32.19 2k4h n VAL 63 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2k4h h LEU 64 N 0.02 0.00 0.30 7.52 3.38 -0.91 -3.18 115.31 122.44 2k4h h LEU 64 Ca -0.40 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 2k4h h LEU 64 Cb 2.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.76 2k4h h LEU 64 CO 0.06 0.55 -0.49 -0.78 0.09 0.00 0.00 178.44 177.87 2k4h h ASP 65 N 0.00 -1.40 0.70 -0.43 3.58 -0.62 -0.85 116.42 117.39 2k4h h ASP 65 Ca -0.01 0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k4h h ASP 65 Cb 1.31 0.49 0.00 0.00 1.72 0.00 0.00 39.33 42.85 2k4h h ASP 65 CO 0.07 -0.58 0.00 -0.81 -2.88 0.00 0.00 179.24 175.04 2k4h n PRO 66 N -5.31 0.19 0.17 0.28 -0.04 -1.25 -2.18 135.00 126.85 2k4h n PRO 66 Ca -0.10 0.42 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 2k4h n PRO 66 Cb 0.41 -1.86 0.15 0.00 -0.04 0.00 0.00 33.50 32.16 2k4h n PRO 66 CO 0.00 0.00 0.00 0.52 -0.04 0.00 0.00 175.50 175.98 2k4h h MET 67 N 0.00 0.00 0.68 0.54 2.86 -1.29 -3.31 114.93 114.41 2k4h h MET 67 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2k4h h MET 67 Cb 0.35 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2k4h h MET 67 CO 0.00 0.00 -0.33 0.28 1.06 0.00 0.00 176.91 177.92 2k4h h VAL 68 N 0.00 0.17 0.00 -2.22 2.07 -0.69 0.29 116.25 115.87 2k4h h VAL 68 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2k4h h VAL 68 Cb 0.96 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2k4h h VAL 68 CO 0.00 0.02 0.00 -0.81 0.02 0.00 0.00 177.57 176.80 2k4h n PRO 69 N -5.41 0.49 -2.77 1.57 -0.04 -1.26 -3.43 135.00 124.15 2k4h n PRO 69 Ca -0.12 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 2k4h n PRO 69 Cb 0.38 -1.46 0.08 0.00 -0.04 0.00 0.00 33.50 32.45 2k4h n PRO 69 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2k4h n THR 70 N -0.96 0.04 -3.52 0.52 -1.04 -1.09 -5.14 114.28 103.09 2k4h n THR 70 Ca 0.11 -1.98 -0.05 0.00 -2.04 0.00 0.00 64.05 60.09 2k4h n THR 70 Cb 0.05 1.10 0.01 0.00 -1.82 0.00 0.00 70.33 69.67 2k4h n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 71 N 0.07 1.73 3.95 3.41 0.00 0.99 -4.73 105.19 110.61 2k4h n GLY 71 Ca 0.06 -1.23 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 2k4h n GLY 71 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k4h s SER 72 N -2.11 3.96 0.19 1.61 1.04 -1.26 -4.96 113.70 112.16 2k4h s SER 72 Ca 0.10 0.10 0.02 0.00 0.48 0.00 0.00 55.95 56.65 2k4h s SER 72 Cb -0.02 -0.41 0.08 0.00 0.10 0.00 0.00 66.02 65.76 2k4h s SER 72 CO 0.07 -2.15 1.44 -0.33 0.98 0.00 0.00 173.24 173.25 2k4h h GLU 73 N -1.01 0.27 -0.15 4.02 5.08 -1.97 -3.06 114.58 117.76 2k4h h GLU 73 Ca -0.42 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 57.75 2k4h h GLU 73 Cb 1.27 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2k4h h GLU 73 CO 0.44 0.91 0.22 -0.91 -1.00 0.00 0.00 179.01 178.68 2k4h h ASN 74 N 0.17 0.00 0.17 1.42 4.21 -2.01 -1.07 115.58 118.47 2k4h h ASN 74 Ca -0.03 0.00 -0.30 0.00 1.21 0.00 0.00 56.30 57.18 2k4h h ASN 74 Cb 1.35 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.56 2k4h h ASN 74 CO 0.12 0.00 -1.44 0.25 -1.29 0.00 0.00 177.43 175.07 2k4h h LEU 75 N 0.00 0.57 -1.54 1.61 6.46 -1.93 -3.30 115.31 117.18 2k4h h LEU 75 Ca 0.07 -0.91 0.07 0.00 -0.12 0.00 0.00 57.88 56.99 2k4h h LEU 75 Cb 0.51 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.22 2k4h h LEU 75 CO -0.00 1.66 0.41 0.11 -0.62 0.00 0.00 178.44 180.00 2k4h h LYS 76 N -0.09 0.54 -0.31 1.25 1.57 -1.23 0.11 116.57 118.42 2k4h h LYS 76 Ca -0.28 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.44 2k4h h LYS 76 Cb 1.94 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 2k4h h LYS 76 CO 0.16 0.36 0.08 0.77 -0.57 0.00 0.00 179.45 180.25 2k4h h SER 77 N 0.55 0.46 -0.19 0.86 0.02 -1.55 -2.37 113.55 111.34 2k4h h SER 77 Ca 0.27 -0.22 -0.10 0.00 -0.84 0.00 0.00 61.79 60.90 2k4h h SER 77 Cb 0.35 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.77 2k4h h SER 77 CO -0.08 0.56 -0.29 0.25 -1.14 0.00 0.00 176.83 176.13 2k4h h LEU 78 N 0.33 0.58 -0.70 5.07 5.85 -1.44 -3.04 115.31 121.96 2k4h h LEU 78 Ca 0.10 -0.52 0.13 0.00 0.84 0.00 0.00 57.88 58.43 2k4h h LEU 78 Cb 0.27 -0.16 -0.09 0.00 0.37 0.00 0.00 40.66 41.05 2k4h h LEU 78 CO -0.00 0.99 0.23 0.15 -0.34 0.00 0.00 178.44 179.47 2k4h h PHE 79 N 0.18 0.38 0.05 1.25 3.57 -0.77 0.16 116.94 121.77 2k4h h PHE 79 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2k4h h PHE 79 Cb 0.86 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.54 2k4h h PHE 79 CO 0.09 0.02 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.25 2k4h h ASN 80 N 0.36 -0.06 -0.81 0.41 2.35 -1.42 -2.06 115.58 114.36 2k4h h ASN 80 Ca 0.38 -0.00 0.01 0.00 -0.55 0.00 0.00 56.30 56.14 2k4h h ASN 80 Cb 0.58 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.93 2k4h h ASN 80 CO -0.41 -0.04 0.53 0.74 -1.65 0.00 0.00 177.43 176.60 2k4h h THR 81 N -0.08 1.20 -0.94 2.81 2.02 -1.20 -2.37 112.91 114.36 2k4h h THR 81 Ca -0.01 -0.37 0.05 0.00 0.77 0.00 0.00 66.41 66.85 2k4h h THR 81 Cb 0.06 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.43 2k4h h THR 81 CO 0.01 0.20 0.61 0.58 0.37 0.00 0.00 175.52 177.29 2k4h h VAL 82 N 1.09 1.10 -0.72 3.16 2.07 -0.46 -1.08 116.25 121.41 2k4h h VAL 82 Ca 0.30 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.55 2k4h h VAL 82 Cb -0.12 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.48 2k4h h VAL 82 CO -0.07 0.21 0.48 0.00 0.02 0.00 0.00 177.57 178.21 2k4h h VAL 84 N 0.51 1.31 -0.87 0.00 2.07 -1.21 -3.17 116.25 114.89 2k4h h VAL 84 Ca 0.34 -1.90 0.23 0.00 0.82 0.00 0.00 66.70 66.18 2k4h h VAL 84 Cb 0.63 2.43 -0.14 0.00 -1.52 0.00 0.00 31.29 32.69 2k4h h VAL 84 CO -0.11 0.43 0.24 0.40 0.02 0.00 0.00 177.57 178.54 2k4h h ILE 85 N -0.97 0.34 -0.28 4.57 1.08 -0.94 0.14 117.51 121.45 2k4h h ILE 85 Ca -0.00 -0.08 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 2k4h h ILE 85 Cb 0.72 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 2k4h h ILE 85 CO 0.00 0.04 0.15 -0.25 -0.69 0.00 0.00 178.15 177.40 2k4h h TRP 86 N 0.22 0.39 -0.54 1.37 7.01 -1.45 -2.89 115.95 120.06 2k4h h TRP 86 Ca 0.54 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.62 2k4h h TRP 86 Cb 1.07 -0.12 -0.07 0.00 -2.10 0.00 0.00 29.16 27.93 2k4h h TRP 86 CO -0.26 0.33 0.13 0.00 -2.79 0.00 0.00 178.44 175.86 2k4h h ILE 88 N 0.28 0.57 0.18 0.00 2.04 -1.12 0.32 117.51 119.78 2k4h h ILE 88 Ca 0.28 -0.09 -0.31 0.00 1.00 0.00 0.00 64.86 65.73 2k4h h ILE 88 Cb 0.37 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2k4h h ILE 88 CO -0.34 0.05 -1.43 0.45 0.00 0.00 0.00 178.15 176.88 2k4h h HIS 89 N 0.27 0.69 -0.14 1.37 3.86 -0.96 -3.26 115.15 116.98 2k4h h HIS 89 Ca 0.51 -0.51 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2k4h h HIS 89 Cb 1.51 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.95 2k4h h HIS 89 CO -0.00 1.44 0.01 0.00 0.86 0.00 0.00 177.93 180.24 2k4h n ALA 90 N -2.65 2.85 -1.35 2.45 0.00 0.07 -4.81 120.51 117.06 2k4h n ALA 90 Ca -0.14 -0.47 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2k4h n ALA 90 Cb 1.06 -1.03 -0.05 0.00 0.00 0.00 0.00 19.45 19.43 2k4h n ALA 90 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k4h n GLU 91 N 0.15 -1.58 -2.89 0.00 4.71 -0.70 -4.94 120.64 115.39 2k4h n GLU 91 Ca 0.07 0.91 -0.41 0.00 -0.01 0.00 0.00 57.16 57.73 2k4h n GLU 91 Cb 0.49 -5.28 -0.04 0.00 -1.01 0.00 0.00 31.44 25.60 2k4h n GLU 91 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2k4h s GLU 92 N -2.97 4.51 -0.02 3.49 0.41 0.89 -4.98 118.70 120.03 2k4h s GLU 92 Ca 0.00 1.15 0.08 0.00 -0.41 0.00 0.00 54.97 55.79 2k4h s GLU 92 Cb 0.00 -3.42 -0.02 0.00 -1.78 0.00 0.00 34.13 28.90 2k4h s GLU 92 CO 0.00 0.09 -0.25 0.15 -0.49 0.00 0.00 175.26 174.76 2k4h s LYS 93 N 0.59 2.13 0.12 1.61 3.01 -1.26 -3.71 119.74 122.22 2k4h s LYS 93 Ca 0.43 -0.92 0.03 0.00 -1.01 0.00 0.00 55.97 54.50 2k4h s LYS 93 Cb -0.20 -2.06 -0.04 0.00 -1.01 0.00 0.00 37.83 34.51 2k4h s LYS 93 CO 0.23 0.56 -0.08 0.14 0.51 0.00 0.00 175.35 176.72 2k4h s VAL 94 N -0.62 0.90 -0.12 3.17 -7.23 -1.26 -5.02 120.40 110.21 2k4h s VAL 94 Ca 0.10 -1.99 -0.16 0.00 -1.81 0.00 0.00 61.98 58.13 2k4h s VAL 94 Cb -0.10 -1.76 -0.26 0.00 0.56 0.00 0.00 36.38 34.82 2k4h s VAL 94 CO -0.01 -0.81 0.47 0.11 -0.31 0.00 0.00 175.10 174.55 2k4h h LYS 95 N 2.88 0.20 -4.81 4.82 6.56 -1.93 -3.39 116.57 120.90 2k4h h LYS 95 Ca -0.36 -0.34 -0.26 0.00 -1.06 0.00 0.00 60.65 58.62 2k4h h LYS 95 Cb 1.18 0.13 -0.15 0.00 -0.57 0.00 0.00 32.23 32.81 2k4h h LYS 95 CO 0.64 1.16 -0.71 0.16 -2.06 0.00 0.00 179.45 178.65 2k4h s ASP 96 N -6.99 1.36 0.18 0.86 1.47 -1.26 -0.75 116.67 111.54 2k4h s ASP 96 Ca -0.22 -0.98 -0.21 0.00 1.18 0.00 0.00 52.55 52.32 2k4h s ASP 96 Cb 0.05 0.05 0.10 0.00 -0.34 0.00 0.00 42.92 42.78 2k4h s ASP 96 CO 0.74 -0.40 1.60 0.74 0.68 0.00 0.00 175.17 178.52 2k4h h THR 97 N 3.00 0.23 -0.97 2.11 2.02 -0.61 0.39 112.91 119.07 2k4h h THR 97 Ca -0.36 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.09 2k4h h THR 97 Cb 1.18 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.76 2k4h h THR 97 CO 0.63 0.00 0.68 -0.33 0.37 0.00 0.00 175.52 176.87 2k4h h GLU 98 N -0.20 0.12 -0.19 6.66 4.39 -1.86 0.26 114.58 123.76 2k4h h GLU 98 Ca 0.20 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.76 2k4h h GLU 98 Cb 0.53 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k4h h GLU 98 CO -0.59 0.08 -0.46 0.78 -1.16 0.00 0.00 179.01 177.65 2k4h h GLY 99 N 0.12 0.54 2.00 -3.84 0.00 -0.63 -2.90 103.07 98.36 2k4h h GLY 99 Ca 0.48 -0.57 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2k4h h GLY 99 CO -0.08 0.51 -0.27 0.00 0.00 0.00 0.00 176.54 176.71 2k4h h ALA 100 N 1.10 1.02 0.00 3.60 0.00 -0.12 -2.73 119.26 122.13 2k4h h ALA 100 Ca 0.02 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 2k4h h ALA 100 Cb 0.97 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2k4h h ALA 100 CO 0.09 0.33 -0.55 -0.22 0.00 0.00 0.00 179.25 178.90 2k4h h LYS 101 N 0.00 0.00 0.20 0.00 3.64 -1.25 -2.07 116.57 117.09 2k4h h LYS 101 Ca -0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 2k4h h LYS 101 Cb 0.79 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2k4h h LYS 101 CO 0.03 0.55 -1.41 0.37 -2.27 0.00 0.00 179.45 176.73 2k4h h GLN 102 N 0.00 0.43 -0.17 1.90 4.15 -1.38 -2.23 115.11 117.81 2k4h h GLN 102 Ca -0.01 -0.73 -0.16 0.00 0.77 0.00 0.00 58.65 58.53 2k4h h GLN 102 Cb 1.22 0.27 0.00 0.00 0.21 0.00 0.00 27.48 29.19 2k4h h GLN 102 CO 0.07 1.34 -0.51 0.82 -1.93 0.00 0.00 178.83 178.63 2k4h h ILE 103 N 0.12 1.33 -0.15 2.39 2.04 -1.52 -2.92 117.51 118.80 2k4h h ILE 103 Ca -0.22 -1.76 -0.05 0.00 1.00 0.00 0.00 64.86 63.84 2k4h h ILE 103 Cb 2.09 1.97 -0.00 0.00 -0.74 0.00 0.00 36.82 40.14 2k4h h ILE 103 CO 0.24 0.54 -0.12 0.58 0.00 0.00 0.00 178.15 179.40 2k4h h VAL 104 N 0.31 1.33 -0.28 1.67 2.07 -1.49 -3.13 116.25 116.73 2k4h h VAL 104 Ca -0.02 -1.23 0.07 0.00 0.82 0.00 0.00 66.70 66.34 2k4h h VAL 104 Cb 1.13 1.82 -0.07 0.00 -1.52 0.00 0.00 31.29 32.65 2k4h h VAL 104 CO 0.11 0.36 -0.20 -0.09 0.02 0.00 0.00 177.57 177.77 2k4h h ARG 105 N -0.02 -0.17 -0.81 1.57 2.43 -1.48 0.68 114.38 116.59 2k4h h ARG 105 Ca 0.03 0.01 0.19 0.00 -0.81 0.00 0.00 59.98 59.40 2k4h h ARG 105 Cb 0.62 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 2k4h h ARG 105 CO 0.03 -0.11 0.55 -0.09 -1.51 0.00 0.00 179.97 178.83 2k4h h ARG 106 N -0.17 0.29 0.00 0.20 9.65 -1.55 0.17 114.38 122.97 2k4h h ARG 106 Ca 0.15 -0.02 -0.18 0.00 -1.10 0.00 0.00 59.98 58.84 2k4h h ARG 106 Cb 0.41 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.89 2k4h h ARG 106 CO -0.39 0.19 -0.84 0.45 2.80 0.00 0.00 179.97 182.18 2k4h h HIS 107 N 0.30 0.00 0.07 2.20 3.86 -0.87 -2.96 115.15 117.75 2k4h h HIS 107 Ca 0.40 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 59.40 2k4h h HIS 107 Cb 1.12 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.61 2k4h h HIS 107 CO -0.00 0.84 -0.89 -0.07 0.86 0.00 0.00 177.93 178.68 2k4h h LEU 108 N 0.00 0.66 -1.87 2.43 3.38 0.66 -2.48 115.31 118.09 2k4h h LEU 108 Ca -0.01 -0.82 -0.03 0.00 0.09 0.00 0.00 57.88 57.11 2k4h h LEU 108 Cb 1.53 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 2k4h h LEU 108 CO 0.11 1.41 -0.13 0.58 0.09 0.00 0.00 178.44 180.50 2k4h h VAL 109 N -0.01 0.60 0.16 1.22 2.07 -1.18 0.24 116.25 119.35 2k4h h VAL 109 Ca -0.13 -0.56 -0.25 0.00 0.82 0.00 0.00 66.70 66.58 2k4h h VAL 109 Cb 1.61 1.36 0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2k4h h VAL 109 CO 0.17 0.12 -1.18 0.00 0.02 0.00 0.00 177.57 176.71 2k4h h ALA 110 N 1.87 -0.02 0.00 1.67 0.00 -1.53 -3.07 119.26 118.18 2k4h h ALA 110 Ca -0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 54.91 53.90 2k4h h ALA 110 Cb 0.35 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k4h h ALA 110 CO 0.02 0.61 -0.66 0.93 0.00 0.00 0.00 179.25 180.15 2k4h h GLU 111 N -0.22 0.00 -0.85 0.00 4.39 -1.21 -3.10 114.58 113.60 2k4h h GLU 111 Ca -0.22 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.17 2k4h h GLU 111 Cb 1.81 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 30.28 2k4h h GLU 111 CO 0.15 0.66 0.38 2.41 -1.16 0.00 0.00 179.01 181.45 2k4h n THR 112 N -3.56 2.92 -1.61 1.13 -1.04 0.84 -4.17 114.28 108.79 2k4h n THR 112 Ca -0.00 -1.63 0.05 0.00 -2.04 0.00 0.00 64.05 60.43 2k4h n THR 112 Cb 0.69 -0.42 0.08 0.00 -1.82 0.00 0.00 70.33 68.87 2k4h n THR 112 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k4h n GLY 113 N -0.42 2.92 1.35 3.41 0.00 -1.16 -4.74 105.19 106.55 2k4h n GLY 113 Ca 0.45 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.80 2k4h n GLY 113 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k4h n THR 114 N -0.69 0.75 -2.67 2.61 5.66 -1.26 -4.84 114.28 113.84 2k4h n THR 114 Ca 0.09 -1.82 -0.05 0.00 -3.05 0.00 0.00 64.05 59.22 2k4h n THR 114 Cb 0.71 0.62 0.04 0.00 -1.55 0.00 0.00 70.33 70.16 2k4h n THR 114 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k4h n ALA 115 N -0.05 -0.85 -1.38 1.79 0.00 -1.26 -5.00 120.51 113.77 2k4h n ALA 115 Ca 0.11 -0.79 -0.22 0.00 0.00 0.00 0.00 53.44 52.53 2k4h n ALA 115 Cb 1.00 -1.01 0.14 0.00 0.00 0.00 0.00 19.45 19.58 2k4h n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2k4h n GLU 116 N -0.55 2.38 0.13 0.00 0.28 -1.26 -4.53 120.64 117.09 2k4h n GLU 116 Ca -0.17 -3.23 -0.01 0.00 -0.16 0.00 0.00 57.16 53.59 2k4h n GLU 116 Cb 0.73 -2.13 0.13 0.00 1.43 0.00 0.00 31.44 31.60 2k4h n GLU 116 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2k4h h LYS 117 N 1.37 0.00 -5.29 3.44 2.10 -2.01 -3.49 116.57 112.69 2k4h h LYS 117 Ca 0.51 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.16 2k4h h LYS 117 Cb 1.92 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.25 2k4h h LYS 117 CO 1.05 0.65 -0.52 -0.12 -2.00 0.00 0.00 179.45 178.50 2k4h n MET 118 N -3.66 -2.42 -0.15 0.07 1.56 -1.26 -5.02 117.12 106.24 2k4h n MET 118 Ca -0.01 2.14 -0.04 0.00 -0.27 0.00 0.00 57.70 59.52 2k4h n MET 118 Cb 0.67 -5.64 0.04 0.00 2.15 0.00 0.00 33.22 30.44 2k4h n MET 118 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2k4h n PRO 119 N -0.27 -1.34 -0.68 2.12 -0.04 -1.26 -4.99 135.00 128.55 2k4h n PRO 119 Ca 0.11 -0.26 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 2k4h n PRO 119 Cb 0.45 -0.24 0.17 0.00 -0.04 0.00 0.00 33.50 33.84 2k4h n PRO 119 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2k4h n SER 120 N -3.28 -1.76 -4.98 3.54 2.88 -1.26 -5.01 113.62 103.75 2k4h n SER 120 Ca 0.02 0.10 -0.20 0.00 -1.33 0.00 0.00 58.87 57.46 2k4h n SER 120 Cb 0.09 -1.17 0.03 0.00 -0.75 0.00 0.00 64.21 62.40 2k4h n SER 120 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k4h s THR 121 N -2.38 2.89 0.61 2.46 -1.32 -1.26 -5.10 115.64 111.54 2k4h s THR 121 Ca 0.60 -0.71 -0.10 0.00 -1.21 0.00 0.00 61.69 60.27 2k4h s THR 121 Cb -0.19 -3.06 -0.02 0.00 -1.51 0.00 0.00 72.50 67.72 2k4h s THR 121 CO 0.65 -0.04 1.00 -0.55 -2.21 0.00 0.00 174.62 173.47 2k4h s SER 122 N -4.39 6.02 0.01 8.08 0.15 -1.26 -5.10 113.70 117.21 2k4h s SER 122 Ca 0.56 1.23 -0.01 0.00 0.70 0.00 0.00 55.95 58.42 2k4h s SER 122 Cb -0.10 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 61.94 2k4h s SER 122 CO 0.37 -0.94 0.01 0.00 1.20 0.00 0.00 173.24 173.88 2k4h s ARG 123 N -5.13 0.19 0.16 5.44 1.70 -1.26 -5.14 118.95 114.92 2k4h s ARG 123 Ca 0.54 -0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 2k4h s ARG 123 Cb -0.11 0.07 -0.08 0.00 -0.57 0.00 0.00 34.95 34.26 2k4h s ARG 123 CO 0.51 -0.03 1.32 -1.25 -1.08 0.00 0.00 175.30 174.77 2k4h s PRO 124 N -0.78 4.37 -0.03 3.89 0.04 -1.26 -5.03 135.00 136.19 2k4h s PRO 124 Ca -0.09 2.04 0.02 0.00 0.04 0.00 0.00 61.00 63.02 2k4h s PRO 124 Cb -0.05 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 2k4h s PRO 124 CO -0.00 -0.31 -0.09 -0.08 0.04 0.00 0.00 177.00 176.56 2k4h s THR 125 N 0.46 3.52 0.03 1.26 -1.32 -1.26 -5.05 115.64 113.28 2k4h s THR 125 Ca 0.59 -0.66 -0.26 0.00 -1.21 0.00 0.00 61.69 60.15 2k4h s THR 125 Cb -0.36 -2.46 -0.14 0.00 -1.51 0.00 0.00 72.50 68.03 2k4h s THR 125 CO 0.35 0.51 1.26 0.00 -2.21 0.00 0.00 174.62 174.54 2k4h h ALA 126 N 4.98 -1.13 -1.91 11.08 0.00 -2.08 -3.41 119.26 126.80 2k4h h ALA 126 Ca -0.48 -0.20 -0.57 0.00 0.00 0.00 0.00 54.91 53.65 2k4h h ALA 126 Cb 1.17 0.36 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 2k4h h ALA 126 CO 0.52 -1.06 1.19 -1.25 0.00 0.00 0.00 179.25 178.65 2k4h s PRO 127 N -4.84 3.53 0.31 0.00 0.04 -1.26 -4.98 135.00 127.80 2k4h s PRO 127 Ca -0.14 1.41 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2k4h s PRO 127 Cb 0.01 -4.11 -0.10 0.00 0.04 0.00 0.00 34.50 30.34 2k4h s PRO 127 CO 0.41 -1.62 1.18 -1.12 0.04 0.00 0.00 177.00 175.88 2k4h s SER 128 N 5.09 7.01 0.96 6.66 0.01 -1.26 -5.00 113.70 127.17 2k4h s SER 128 Ca 0.74 2.42 -0.11 0.00 1.31 0.00 0.00 55.95 60.30 2k4h s SER 128 Cb -0.22 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 63.51 2k4h s SER 128 CO 0.32 -0.34 0.89 -1.20 0.41 0.00 0.00 173.24 173.33 2k4h n SER 129 N 0.91 -0.62 -4.15 2.44 7.64 -1.26 -5.02 113.62 113.56 2k4h n SER 129 Ca -0.00 0.32 -0.32 0.00 1.01 0.00 0.00 58.87 59.88 2k4h n SER 129 Cb 0.44 -1.37 -0.17 0.00 -1.01 0.00 0.00 64.21 62.11 2k4h n SER 129 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2k4h s GLU 130 N -4.30 2.90 -0.80 1.43 -1.05 -1.26 -5.04 118.70 110.58 2k4h s GLU 130 Ca 0.64 -0.81 0.02 0.00 -0.15 0.00 0.00 54.97 54.67 2k4h s GLU 130 Cb -0.22 -2.35 0.34 0.00 -0.44 0.00 0.00 34.13 31.45 2k4h s GLU 130 CO 0.62 -0.02 1.47 1.17 0.95 0.00 0.00 175.26 179.44 2k4h n LYS 131 N 4.09 4.21 0.00 -4.83 3.00 -1.26 -4.85 118.16 118.52 2k4h n LYS 131 Ca -0.20 -4.61 0.00 0.00 -0.00 0.00 0.00 58.31 53.50 2k4h n LYS 131 Cb 0.51 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.20 2k4h n LYS 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k4h n GLY 132 N -0.21 2.16 3.79 3.14 0.00 -1.26 -5.14 105.19 107.66 2k4h n GLY 132 Ca 0.41 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2k4h n GLY 132 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k4h s GLY 133 N 0.00 1.67 0.01 -0.02 0.00 -1.26 -5.06 107.32 102.66 2k4h s GLY 133 Ca 0.00 0.20 0.08 0.00 0.00 0.00 0.00 44.72 45.00 2k4h s GLY 133 CO 0.00 0.53 -0.24 -1.31 0.00 0.00 0.00 173.10 172.08 2k4h s ASN 134 N -3.54 3.26 0.00 1.64 -0.87 -1.26 -5.06 114.94 109.11 2k4h s ASN 134 Ca 0.60 -0.50 0.00 0.00 -1.57 0.00 0.00 52.86 51.39 2k4h s ASN 134 Cb -0.16 -0.39 0.00 0.00 -0.02 0.00 0.00 41.25 40.68 2k4h s ASN 134 CO 0.56 0.29 0.00 0.00 -2.57 0.00 0.00 177.10 175.37