#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kdf s VAL 2 N 0.00 2.94 0.00 -3.33 -7.23 -1.26 -5.25 120.40 106.27 3kdf s VAL 2 Ca 0.00 0.60 0.00 0.00 -1.81 0.00 0.00 61.98 60.77 3kdf s VAL 2 Cb 0.00 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.69 3kdf s VAL 2 CO 0.00 -0.12 0.00 -0.67 -0.31 0.00 0.00 175.10 174.00 3kdf n ASP 3 N -1.34 0.00 0.00 4.85 2.03 -1.26 -5.13 116.55 115.70 3kdf n ASP 3 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 3kdf n ASP 3 Cb 0.50 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.90 3kdf n ASP 3 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 3kdf n ASP 6 N 0.00 -3.32 -4.64 1.67 8.00 -1.26 -5.08 116.55 111.92 3kdf n ASP 6 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 3kdf n ASP 6 Cb 0.00 -1.03 -0.07 0.00 -0.02 0.00 0.00 41.12 39.99 3kdf n ASP 6 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3kdf s LEU 7 N 0.00 3.14 0.32 0.64 1.43 -1.26 -5.10 118.68 117.84 3kdf s LEU 7 Ca 0.00 -0.73 -0.29 0.00 -1.03 0.00 0.00 54.13 52.08 3kdf s LEU 7 Cb 0.00 -1.63 -0.10 0.00 0.03 0.00 0.00 46.19 44.48 3kdf s LEU 7 CO 0.00 -0.07 1.38 -2.84 0.23 0.00 0.00 176.35 175.05 3kdf s PRO 8 N -3.69 4.29 -0.10 1.29 0.02 -1.26 -5.03 135.00 130.52 3kdf s PRO 8 Ca 0.33 2.30 0.03 0.00 0.02 0.00 0.00 61.00 63.68 3kdf s PRO 8 Cb -0.05 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3kdf s PRO 8 CO 0.20 -0.32 -0.21 1.03 -0.33 0.00 0.00 177.00 177.37 3kdf s ARG 9 N -1.43 2.79 0.01 5.54 0.52 -1.26 -4.72 118.95 120.40 3kdf s ARG 9 Ca 0.53 -0.78 -0.25 0.00 -0.52 0.00 0.00 55.73 54.70 3kdf s ARG 9 Cb -0.42 -2.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.85 3kdf s ARG 9 CO 0.52 0.12 0.78 -1.12 0.02 0.00 0.00 175.30 175.61 3kdf s SER 10 N 0.49 7.18 -0.23 0.23 0.01 -0.92 -4.58 113.70 115.87 3kdf s SER 10 Ca -0.16 1.41 -0.29 0.00 1.31 0.00 0.00 55.95 58.22 3kdf s SER 10 Cb -0.17 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.60 3kdf s SER 10 CO 0.06 -0.05 1.10 -0.13 0.41 0.00 0.00 173.24 174.62 3kdf s ARG 11 N 0.29 4.22 0.31 12.44 0.52 -1.26 -0.14 118.95 135.32 3kdf s ARG 11 Ca 0.40 1.37 0.03 0.00 -0.52 0.00 0.00 55.73 57.01 3kdf s ARG 11 Cb -0.20 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 3kdf s ARG 11 CO 0.22 -0.70 0.12 0.96 0.02 0.00 0.00 175.30 175.93 3kdf s ILE 12 N 3.36 0.57 0.46 1.52 -4.36 -1.01 -4.94 121.20 116.80 3kdf s ILE 12 Ca 0.47 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 3kdf s ILE 12 Cb -0.16 -2.57 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 3kdf s ILE 12 CO 0.09 0.00 0.00 -0.46 0.24 0.00 0.00 174.94 174.82 3kdf n ASN 13 N -0.80 3.26 0.11 4.36 0.23 -1.26 -4.46 115.26 116.70 3kdf n ASN 13 Ca -0.01 -3.00 -0.00 0.00 -0.53 0.00 0.00 54.58 51.04 3kdf n ASN 13 Cb 0.66 0.32 0.28 0.00 -2.08 0.00 0.00 39.78 38.96 3kdf n ASN 13 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3kdf h ALA 14 N 1.23 1.24 0.00 -2.53 0.00 -1.88 -3.21 119.26 114.11 3kdf h ALA 14 Ca -0.38 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3kdf h ALA 14 Cb 1.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3kdf h ALA 14 CO 0.63 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.81 3kdf n GLY 15 N -0.40 0.93 4.45 0.00 0.00 -1.26 -4.54 105.19 104.37 3kdf n GLY 15 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kdf n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kdf n LEU 17 N 1.73 0.00 -0.01 0.99 4.77 -1.22 -4.75 117.00 118.51 3kdf n LEU 17 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3kdf n LEU 17 Cb 0.13 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.40 3kdf n LEU 17 CO 0.00 0.00 0.74 0.00 -1.33 0.00 0.00 177.39 176.80 3kdf h ALA 18 N 0.00 1.08 0.00 -1.18 0.00 -1.89 -1.85 119.26 115.42 3kdf h ALA 18 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3kdf h ALA 18 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3kdf h ALA 18 CO 0.00 0.57 0.00 0.00 0.00 0.00 0.00 179.25 179.82 3kdf n GLN 19 N -4.13 0.58 -0.31 0.00 10.64 -1.26 -3.57 117.38 119.32 3kdf n GLN 19 Ca -0.00 0.01 0.08 0.00 -1.83 0.00 0.00 57.00 55.25 3kdf n GLN 19 Cb 0.40 -1.50 0.18 0.00 -0.86 0.00 0.00 30.24 28.46 3kdf n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3kdf n PHE 20 N -1.20 0.31 -1.62 2.61 3.72 -0.71 -5.05 117.46 115.53 3kdf n PHE 20 Ca 0.17 -1.12 -0.49 0.00 -0.05 0.00 0.00 57.45 55.96 3kdf n PHE 20 Cb 0.19 -0.24 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 3kdf n PHE 20 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3kdf n ILE 21 N -1.15 0.21 -0.93 4.37 2.08 -1.15 -1.27 119.36 121.51 3kdf n ILE 21 Ca 0.19 -0.05 0.00 0.00 0.56 0.00 0.00 62.75 63.45 3kdf n ILE 21 Cb 0.74 -1.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.54 3kdf n ILE 21 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 3kdf n ASP 22 N 2.68 -2.87 -4.89 4.38 2.03 0.88 -4.95 116.55 113.80 3kdf n ASP 22 Ca 0.17 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.14 3kdf n ASP 22 Cb 0.24 -1.52 -0.05 0.00 -0.72 0.00 0.00 41.12 39.07 3kdf n ASP 22 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3kdf s LYS 23 N -0.70 3.52 0.15 -0.67 1.02 -0.40 -4.76 119.74 117.91 3kdf s LYS 23 Ca 0.00 -0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.49 3kdf s LYS 23 Cb 0.00 -3.07 -0.09 0.00 -0.52 0.00 0.00 37.83 34.16 3kdf s LYS 23 CO 0.00 0.64 1.40 -2.14 -0.92 0.00 0.00 175.35 174.33 3kdf s PRO 24 N -1.93 4.32 0.18 -1.68 0.02 -1.26 -1.87 135.00 132.78 3kdf s PRO 24 Ca 0.29 2.13 0.00 0.00 0.02 0.00 0.00 61.00 63.44 3kdf s PRO 24 Cb -0.13 -3.21 -0.04 0.00 0.02 0.00 0.00 34.50 31.13 3kdf s PRO 24 CO 0.18 -0.42 0.07 0.14 -0.33 0.00 0.00 177.00 176.64 3kdf s VAL 25 N 0.81 0.33 -0.14 3.83 -7.23 0.56 -2.16 120.40 116.40 3kdf s VAL 25 Ca 0.63 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3kdf s VAL 25 Cb -0.38 -2.29 0.04 0.00 0.56 0.00 0.00 36.38 34.31 3kdf s VAL 25 CO 0.33 -0.27 -0.04 0.00 -0.31 0.00 0.00 175.10 174.81 3kdf s PHE 27 N 1.74 2.86 -0.17 0.00 2.19 0.22 -2.41 117.98 122.41 3kdf s PHE 27 Ca 0.02 -1.67 -0.05 0.00 0.33 0.00 0.00 56.93 55.56 3kdf s PHE 27 Cb -0.14 -1.94 -0.03 0.00 -1.31 0.00 0.00 43.02 39.59 3kdf s PHE 27 CO -0.07 -0.79 0.01 0.08 1.83 0.00 0.00 175.22 176.27 3kdf s VAL 28 N 1.28 4.25 0.24 3.12 1.01 -1.26 -1.24 120.40 127.80 3kdf s VAL 28 Ca 0.03 -0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.57 3kdf s VAL 28 Cb -0.14 -2.89 0.05 0.00 0.00 0.00 0.00 36.38 33.40 3kdf s VAL 28 CO -0.11 0.47 0.88 -0.83 0.00 0.00 0.00 175.10 175.51 3kdf s GLY 29 N 0.47 0.00 -0.10 4.51 0.00 -0.82 -4.64 107.32 106.74 3kdf s GLY 29 Ca -0.01 -0.26 -0.20 0.00 0.00 0.00 0.00 44.72 44.25 3kdf s GLY 29 CO 0.02 0.39 0.55 -1.60 0.00 0.00 0.00 173.10 172.47 3kdf s ARG 30 N -3.00 4.37 0.12 2.90 3.52 0.75 -0.91 118.95 126.69 3kdf s ARG 30 Ca 0.15 0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 56.03 3kdf s ARG 30 Cb -0.04 -3.44 -0.10 0.00 -1.56 0.00 0.00 34.95 29.81 3kdf s ARG 30 CO 0.06 0.12 1.75 -1.17 -0.81 0.00 0.00 175.30 175.24 3kdf s LEU 31 N 0.71 4.38 -0.13 -0.88 2.96 -0.16 -0.80 118.68 124.75 3kdf s LEU 31 Ca 0.30 2.67 0.06 0.00 -0.22 0.00 0.00 54.13 56.94 3kdf s LEU 31 Cb -0.16 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.84 3kdf s LEU 31 CO 0.13 -0.95 -0.04 -0.62 -1.32 0.00 0.00 176.35 173.54 3kdf n GLU 32 N 5.37 1.26 -3.64 1.98 -0.58 0.33 -4.71 120.64 120.66 3kdf n GLU 32 Ca 0.17 0.04 -0.07 0.00 -0.42 0.00 0.00 57.16 56.88 3kdf n GLU 32 Cb 0.39 -1.30 -0.07 0.00 -0.57 0.00 0.00 31.44 29.88 3kdf n GLU 32 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 3kdf s LYS 33 N -2.30 0.34 -0.15 3.49 2.20 -1.23 -4.99 119.74 117.09 3kdf s LYS 33 Ca -0.13 0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.86 3kdf s LYS 33 Cb 0.04 0.16 -0.02 0.00 -1.51 0.00 0.00 37.83 36.50 3kdf s LYS 33 CO 0.42 -0.04 -0.05 0.42 -0.36 0.00 0.00 175.35 175.74 3kdf s ILE 34 N 0.21 3.73 0.38 5.43 1.01 -1.26 -1.06 121.20 129.64 3kdf s ILE 34 Ca 0.04 -0.42 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 3kdf s ILE 34 Cb -0.05 -2.63 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 3kdf s ILE 34 CO -0.10 0.49 1.37 -2.28 0.00 0.00 0.00 174.94 174.42 3kdf s HIS 35 N 0.41 2.77 0.55 3.97 5.65 -1.26 -4.90 115.29 122.48 3kdf s HIS 35 Ca -0.05 1.33 0.30 0.00 0.25 0.00 0.00 55.06 56.89 3kdf s HIS 35 Cb -0.15 -3.80 1.47 0.00 -1.18 0.00 0.00 32.58 28.92 3kdf s HIS 35 CO 0.03 -2.38 1.90 -1.35 -0.65 0.00 0.00 174.74 172.29 3kdf h PRO 36 N 2.89 0.00 0.00 2.88 0.11 -2.02 0.82 132.00 136.69 3kdf h PRO 36 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kdf h PRO 36 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3kdf h PRO 36 CO 0.63 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.67 3kdf n THR 37 N -4.13 0.63 -1.37 -1.15 -2.24 -1.26 -4.90 114.28 99.86 3kdf n THR 37 Ca 0.15 -0.06 -0.10 0.00 -2.27 0.00 0.00 64.05 61.77 3kdf n THR 37 Cb 0.86 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 68.26 3kdf n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kdf n GLY 38 N 0.84 1.08 1.54 3.38 0.00 0.29 -4.73 105.19 107.58 3kdf n GLY 38 Ca 0.04 -0.55 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 3kdf n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kdf n LYS 39 N -2.65 2.82 0.00 1.61 5.02 -1.26 0.04 118.16 123.75 3kdf n LYS 39 Ca -0.10 -3.80 0.00 0.00 -2.02 0.00 0.00 58.31 52.39 3kdf n LYS 39 Cb 0.36 -2.04 0.00 0.00 -0.02 0.00 0.00 35.03 33.32 3kdf n LYS 39 CO 0.00 0.00 0.00 1.97 -0.52 0.00 0.00 177.40 178.85 3kdf n PHE 41 N -0.88 0.00 -4.75 2.13 1.16 -0.47 -1.44 117.46 113.20 3kdf n PHE 41 Ca 0.36 0.00 -0.33 0.00 -1.87 0.00 0.00 57.45 55.61 3kdf n PHE 41 Cb 0.88 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.62 3kdf n PHE 41 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 3kdf s ILE 42 N -2.00 3.26 0.01 1.97 -1.09 -0.23 -0.23 121.20 122.90 3kdf s ILE 42 Ca 0.00 -0.62 0.07 0.00 -2.23 0.00 0.00 60.65 57.88 3kdf s ILE 42 Cb 0.00 -2.34 -0.02 0.00 -1.58 0.00 0.00 42.46 38.52 3kdf s ILE 42 CO 0.00 0.56 -0.23 -0.76 -1.23 0.00 0.00 174.94 173.28 3kdf s LEU 43 N -0.24 2.10 -0.11 2.97 1.43 -0.70 -0.51 118.68 123.63 3kdf s LEU 43 Ca 0.02 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.63 3kdf s LEU 43 Cb -0.13 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.93 3kdf s LEU 43 CO 0.03 0.24 -0.02 -0.94 0.23 0.00 0.00 176.35 175.89 3kdf s SER 44 N -0.83 5.02 0.85 2.29 1.04 0.02 -0.35 113.70 121.74 3kdf s SER 44 Ca 0.09 0.03 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 3kdf s SER 44 Cb -0.09 -1.54 0.09 0.00 0.10 0.00 0.00 66.02 64.59 3kdf s SER 44 CO 0.00 0.30 0.57 -0.90 0.98 0.00 0.00 173.24 174.20 3kdf n ASP 45 N 2.66 0.24 0.00 7.02 5.68 -0.41 -0.18 116.55 131.57 3kdf n ASP 45 Ca -0.18 -1.33 0.10 0.00 -0.50 0.00 0.00 54.79 52.88 3kdf n ASP 45 Cb 0.53 -0.42 0.59 0.00 -1.14 0.00 0.00 41.12 40.68 3kdf n ASP 45 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kdf n GLY 46 N 1.09 -0.73 0.62 6.12 0.00 -1.26 -1.23 105.19 109.79 3kdf n GLY 46 Ca 0.08 -0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.03 3kdf n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kdf n GLU 47 N -0.92 2.22 -1.18 1.61 1.02 -1.26 -4.44 120.64 117.69 3kdf n GLU 47 Ca 0.15 -1.83 -0.06 0.00 -0.02 0.00 0.00 57.16 55.40 3kdf n GLU 47 Cb 0.07 -1.27 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 3kdf n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kdf n GLY 48 N 0.60 0.82 3.88 0.62 0.00 -0.36 -5.02 105.19 105.73 3kdf n GLY 48 Ca 0.11 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3kdf n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kdf s LYS 49 N -2.17 3.59 0.23 1.61 1.02 -1.26 -4.80 119.74 117.96 3kdf s LYS 49 Ca 0.00 -0.04 -0.14 0.00 0.02 0.00 0.00 55.97 55.81 3kdf s LYS 49 Cb 0.00 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.12 3kdf s LYS 49 CO 0.00 0.68 0.64 -0.80 -0.92 0.00 0.00 175.35 174.94 3kdf s ASN 50 N -1.53 6.80 -0.02 2.83 0.01 -1.26 -1.29 114.94 120.49 3kdf s ASN 50 Ca 0.25 1.16 0.04 0.00 -0.71 0.00 0.00 52.86 53.60 3kdf s ASN 50 Cb -0.13 -2.32 -0.01 0.00 0.41 0.00 0.00 41.25 39.20 3kdf s ASN 50 CO 0.14 -0.05 -0.14 -0.83 -1.51 0.00 0.00 177.10 174.71 3kdf s GLY 51 N -2.04 0.71 -0.21 0.66 0.00 0.53 -4.84 107.32 102.13 3kdf s GLY 51 Ca 0.46 -0.59 -0.10 0.00 0.00 0.00 0.00 44.72 44.49 3kdf s GLY 51 CO 0.19 -0.44 0.14 -1.08 0.00 0.00 0.00 173.10 171.91 3kdf s THR 52 N -0.23 5.36 -0.17 0.90 -1.32 -1.26 -1.71 115.64 117.21 3kdf s THR 52 Ca 0.03 0.17 -0.04 0.00 -1.21 0.00 0.00 61.69 60.64 3kdf s THR 52 Cb -0.07 -3.46 -0.03 0.00 -1.51 0.00 0.00 72.50 67.43 3kdf s THR 52 CO -0.00 0.41 -0.02 -0.63 -2.21 0.00 0.00 174.62 172.17 3kdf s ILE 53 N 0.61 4.00 0.05 5.08 -1.09 0.68 -1.06 121.20 129.47 3kdf s ILE 53 Ca 0.08 -0.32 0.05 0.00 -2.23 0.00 0.00 60.65 58.23 3kdf s ILE 53 Cb -0.12 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.96 3kdf s ILE 53 CO 0.00 0.48 -0.08 -1.61 -1.23 0.00 0.00 174.94 172.51 3kdf s GLU 54 N 0.47 2.38 0.00 2.79 2.02 1.00 -1.37 118.70 125.98 3kdf s GLU 54 Ca -0.02 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.11 3kdf s GLU 54 Cb -0.14 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.67 3kdf s GLU 54 CO 0.02 0.56 0.00 1.28 0.02 0.00 0.00 175.26 177.14 3kdf n LEU 55 N 1.13 0.00 -1.79 1.80 4.77 -0.52 -0.55 117.00 121.83 3kdf n LEU 55 Ca -0.14 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 3kdf n LEU 55 Cb 0.52 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.63 3kdf n LEU 55 CO 0.32 0.00 -0.63 -0.62 -1.33 0.00 0.00 177.39 175.13 3kdf n GLU 57 N 0.00 0.00 -2.21 3.23 -0.58 -1.26 -4.91 120.64 114.91 3kdf n GLU 57 Ca 0.00 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.37 3kdf n GLU 57 Cb 0.00 -0.45 -0.00 0.00 -0.57 0.00 0.00 31.44 30.42 3kdf n GLU 57 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3kdf s PRO 58 N -0.90 3.61 0.23 3.49 0.02 -1.26 -4.70 135.00 135.49 3kdf s PRO 58 Ca 0.18 1.78 -0.31 0.00 0.02 0.00 0.00 61.00 62.67 3kdf s PRO 58 Cb -0.07 -2.31 -0.14 0.00 0.02 0.00 0.00 34.50 32.00 3kdf s PRO 58 CO 0.37 -0.68 1.26 1.28 -0.33 0.00 0.00 177.00 178.90 3kdf n LEU 59 N -0.71 2.38 -1.29 -5.54 4.77 0.11 -4.89 117.00 111.83 3kdf n LEU 59 Ca 0.09 1.15 0.03 0.00 -0.03 0.00 0.00 56.01 57.25 3kdf n LEU 59 Cb 0.48 -1.33 0.28 0.00 -2.33 0.00 0.00 43.42 40.52 3kdf n LEU 59 CO 0.47 -0.90 0.80 -0.90 -1.33 0.00 0.00 177.39 175.53 3kdf n ASP 60 N 1.93 4.10 -3.51 -1.43 3.85 -1.26 -4.94 116.55 115.28 3kdf n ASP 60 Ca 0.12 -3.17 -0.13 0.00 -0.71 0.00 0.00 54.79 50.91 3kdf n ASP 60 Cb 0.29 -0.62 -0.04 0.00 -1.35 0.00 0.00 41.12 39.40 3kdf n ASP 60 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 3kdf s GLU 61 N -2.93 0.93 -0.07 0.11 -1.05 -1.26 -5.13 118.70 109.30 3kdf s GLU 61 Ca 0.47 -0.05 -0.28 0.00 -0.15 0.00 0.00 54.97 54.96 3kdf s GLU 61 Cb 0.38 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.48 3kdf s GLU 61 CO 0.09 -0.35 0.91 -1.21 0.95 0.00 0.00 175.26 175.65 3kdf s GLU 62 N -2.15 4.45 0.17 -4.83 2.02 -1.26 -5.03 118.70 112.07 3kdf s GLU 62 Ca -0.02 1.24 0.08 0.00 0.02 0.00 0.00 54.97 56.28 3kdf s GLU 62 Cb -0.01 -3.50 -0.04 0.00 0.10 0.00 0.00 34.13 30.68 3kdf s GLU 62 CO -0.01 -0.15 -0.06 0.96 0.02 0.00 0.00 175.26 176.01 3kdf s ILE 63 N 1.45 3.38 0.26 -1.63 -4.36 -1.26 -5.12 121.20 113.92 3kdf s ILE 63 Ca 0.46 -1.55 -0.21 0.00 -0.26 0.00 0.00 60.65 59.08 3kdf s ILE 63 Cb -0.19 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 40.88 3kdf s ILE 63 CO 0.21 -0.10 0.79 -0.94 0.24 0.00 0.00 174.94 175.14 3kdf s SER 64 N -2.83 -0.20 0.30 4.36 1.04 -1.26 -5.04 113.70 110.08 3kdf s SER 64 Ca 0.26 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kdf s SER 64 Cb -0.09 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3kdf s SER 64 CO 0.16 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.72 3kdf n GLY 65 N -0.48 0.73 3.71 7.32 0.00 -1.26 -4.70 105.19 110.51 3kdf n GLY 65 Ca -0.05 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 3kdf n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kdf s ILE 66 N 0.00 5.10 -0.04 -0.61 -1.09 -1.26 -0.99 121.20 122.31 3kdf s ILE 66 Ca 0.00 1.23 0.04 0.00 -2.23 0.00 0.00 60.65 59.69 3kdf s ILE 66 Cb 0.00 -3.95 -0.00 0.00 -1.58 0.00 0.00 42.46 36.93 3kdf s ILE 66 CO 0.00 0.26 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.13 3kdf s VAL 67 N 0.87 1.27 -0.23 2.92 1.01 -0.09 -0.31 120.40 125.83 3kdf s VAL 67 Ca 0.32 -0.63 -0.06 0.00 0.00 0.00 0.00 61.98 61.61 3kdf s VAL 67 Cb -0.16 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.10 3kdf s VAL 67 CO 0.14 0.37 0.03 -0.70 0.00 0.00 0.00 175.10 174.94 3kdf s GLU 68 N 0.05 3.56 -0.11 2.72 2.12 0.01 -1.94 118.70 125.12 3kdf s GLU 68 Ca -0.03 -0.53 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 3kdf s GLU 68 Cb -0.10 -3.20 -0.02 0.00 0.26 0.00 0.00 34.13 31.06 3kdf s GLU 68 CO 0.02 -0.17 -0.08 0.08 -0.54 0.00 0.00 175.26 174.57 3kdf s VAL 69 N 1.49 3.52 -0.11 3.70 1.01 -0.37 -1.37 120.40 128.27 3kdf s VAL 69 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kdf s VAL 69 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kdf s VAL 69 CO 0.01 0.55 -0.05 -0.69 0.00 0.00 0.00 175.10 174.92 3kdf s VAL 70 N -0.14 3.79 0.00 2.92 1.01 0.53 -0.61 120.40 127.90 3kdf s VAL 70 Ca 0.01 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3kdf s VAL 70 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 33.64 3kdf s VAL 70 CO 0.03 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3kdf n GLY 71 N 2.89 0.89 3.41 4.51 0.00 -0.90 -0.71 105.19 115.29 3kdf n GLY 71 Ca -0.18 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 3kdf n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3kdf s ARG 72 N -0.61 3.14 0.11 1.61 3.52 -0.96 -0.32 118.95 125.43 3kdf s ARG 72 Ca 0.00 -0.68 -0.31 0.00 -0.13 0.00 0.00 55.73 54.61 3kdf s ARG 72 Cb 0.00 -2.58 -0.08 0.00 -1.56 0.00 0.00 34.95 30.73 3kdf s ARG 72 CO 0.00 0.34 1.48 0.08 -0.81 0.00 0.00 175.30 176.39 3kdf s VAL 73 N 0.02 3.14 0.86 7.11 1.01 -0.78 -1.31 120.40 130.44 3kdf s VAL 73 Ca -0.04 0.76 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 3kdf s VAL 73 Cb -0.14 -3.49 0.15 0.00 0.00 0.00 0.00 36.38 32.90 3kdf s VAL 73 CO 0.04 0.04 1.20 0.42 0.00 0.00 0.00 175.10 176.80 3kdf s THR 74 N 1.52 2.07 0.53 3.92 -4.23 0.38 -0.08 115.64 119.74 3kdf s THR 74 Ca 0.67 -0.15 0.20 0.00 -1.18 0.00 0.00 61.69 61.24 3kdf s THR 74 Cb -0.38 -2.92 0.32 0.00 1.34 0.00 0.00 72.50 70.86 3kdf s THR 74 CO 0.30 0.00 2.10 0.00 -0.54 0.00 0.00 174.62 176.48 3kdf h ALA 75 N -1.20 2.16 -0.00 3.99 0.00 -1.95 -1.19 119.26 121.07 3kdf h ALA 75 Ca -0.43 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3kdf h ALA 75 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3kdf h ALA 75 CO 0.46 -0.25 -0.01 1.63 0.00 0.00 0.00 179.25 181.08 3kdf n LYS 76 N -4.42 1.09 -2.26 0.00 4.76 -1.26 -4.90 118.16 111.17 3kdf n LYS 76 Ca 0.02 -0.23 -0.15 0.00 -2.87 0.00 0.00 58.31 55.07 3kdf n LYS 76 Cb 0.29 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.97 3kdf n LYS 76 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kdf n ALA 77 N -0.75 -0.44 -2.01 7.82 0.00 -0.45 -5.03 120.51 119.64 3kdf n ALA 77 Ca 0.22 0.13 -0.20 0.00 0.00 0.00 0.00 53.44 53.58 3kdf n ALA 77 Cb 0.19 -1.74 0.05 0.00 0.00 0.00 0.00 19.45 17.94 3kdf n ALA 77 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kdf s THR 78 N -2.76 2.46 -0.18 0.00 -4.23 -1.26 -4.74 115.64 104.93 3kdf s THR 78 Ca 0.00 -0.84 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 3kdf s THR 78 Cb 0.00 -2.62 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3kdf s THR 78 CO 0.00 0.00 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.37 3kdf s ILE 79 N -2.71 3.24 -0.55 2.99 1.01 -0.22 -0.47 121.20 124.49 3kdf s ILE 79 Ca 0.60 -0.56 -0.26 0.00 0.00 0.00 0.00 60.65 60.43 3kdf s ILE 79 Cb -0.08 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.00 3kdf s ILE 79 CO 0.39 0.47 1.05 -0.22 0.00 0.00 0.00 174.94 176.63 3kdf s LEU 80 N 0.98 3.80 -0.06 2.97 2.96 -0.43 -0.00 118.68 128.90 3kdf s LEU 80 Ca -0.01 -0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.54 3kdf s LEU 80 Cb -0.15 -3.05 -0.02 0.00 0.50 0.00 0.00 46.19 43.47 3kdf s LEU 80 CO -0.00 -1.31 1.05 0.00 -1.32 0.00 0.00 176.35 174.76 3kdf n THR 82 N 4.35 0.00 -3.61 0.00 -2.24 0.11 -4.79 114.28 108.09 3kdf n THR 82 Ca 0.08 -0.36 -0.05 0.00 -2.27 0.00 0.00 64.05 61.45 3kdf n THR 82 Cb 0.49 0.22 -0.02 0.00 -2.10 0.00 0.00 70.33 68.92 3kdf n THR 82 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kdf s SER 83 N -3.83 -0.25 0.14 3.42 1.04 -1.01 -5.02 113.70 108.18 3kdf s SER 83 Ca -0.05 -0.17 -0.23 0.00 0.48 0.00 0.00 55.95 55.99 3kdf s SER 83 Cb 0.11 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.69 3kdf s SER 83 CO 0.73 -0.68 0.58 -0.72 0.98 0.00 0.00 173.24 174.13 3kdf s TYR 84 N -3.08 -0.50 -0.03 5.02 -0.85 -1.26 -0.34 117.35 116.31 3kdf s TYR 84 Ca 0.09 0.34 -0.05 0.00 -0.52 0.00 0.00 57.07 56.93 3kdf s TYR 84 Cb -0.01 0.50 0.01 0.00 0.38 0.00 0.00 41.96 42.84 3kdf s TYR 84 CO -0.04 -0.81 0.11 0.14 -1.52 0.00 0.00 175.55 173.43 3kdf s VAL 85 N -3.51 0.03 -0.06 -3.49 -7.23 -0.47 -4.98 120.40 100.69 3kdf s VAL 85 Ca 0.00 -0.28 -0.24 0.00 -1.81 0.00 0.00 61.98 59.65 3kdf s VAL 85 Cb -0.01 -0.25 -0.04 0.00 0.56 0.00 0.00 36.38 36.65 3kdf s VAL 85 CO -0.11 -0.15 0.73 -1.58 -0.31 0.00 0.00 175.10 173.68 3kdf s GLN 86 N -0.48 4.45 0.17 4.82 0.74 -1.26 -0.81 119.66 127.28 3kdf s GLN 86 Ca -0.06 0.93 -0.30 0.00 0.05 0.00 0.00 55.36 55.99 3kdf s GLN 86 Cb -0.04 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 30.55 3kdf s GLN 86 CO 0.00 0.05 1.23 -0.06 -0.55 0.00 0.00 175.29 175.96 3kdf s PHE 87 N 0.84 3.39 -0.00 1.67 0.40 0.57 -4.97 117.98 119.88 3kdf s PHE 87 Ca 0.39 1.34 -0.30 0.00 -0.60 0.00 0.00 56.93 57.76 3kdf s PHE 87 Cb -0.18 -3.47 -0.05 0.00 0.51 0.00 0.00 43.02 39.82 3kdf s PHE 87 CO 0.19 -1.40 1.36 -1.59 0.70 0.00 0.00 175.22 174.48 3kdf s LYS 88 N 0.05 4.30 -0.04 0.44 -2.85 -1.26 -4.65 119.74 115.72 3kdf s LYS 88 Ca 0.55 1.92 0.06 0.00 -1.00 0.00 0.00 55.97 57.50 3kdf s LYS 88 Cb -0.33 -3.55 0.09 0.00 -2.06 0.00 0.00 37.83 31.98 3kdf s LYS 88 CO 0.35 -0.54 0.95 0.39 0.10 0.00 0.00 175.35 176.61 3kdf n GLU 89 N 5.24 1.12 0.11 1.78 1.02 -1.26 -4.84 120.64 123.81 3kdf n GLU 89 Ca 0.13 -1.53 0.12 0.00 -0.02 0.00 0.00 57.16 55.85 3kdf n GLU 89 Cb 0.44 -0.94 0.46 0.00 -0.02 0.00 0.00 31.44 31.38 3kdf n GLU 89 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3kdf n ASP 90 N -0.58 0.65 -0.03 1.62 5.68 -1.26 -3.56 116.55 119.06 3kdf n ASP 90 Ca 0.05 0.62 -0.03 0.00 -0.50 0.00 0.00 54.79 54.93 3kdf n ASP 90 Cb 0.54 -0.77 -0.06 0.00 -1.14 0.00 0.00 41.12 39.69 3kdf n ASP 90 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3kdf n SER 91 N -2.17 3.23 -3.78 -1.12 3.41 -1.26 -5.03 113.62 106.91 3kdf n SER 91 Ca 0.04 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.51 3kdf n SER 91 Cb 0.30 0.74 -0.14 0.00 -0.26 0.00 0.00 64.21 64.85 3kdf n SER 91 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3kdf s HIS 92 N -2.21 -0.11 0.39 7.33 3.76 -1.23 -5.14 115.29 118.09 3kdf s HIS 92 Ca -0.03 0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 54.96 3kdf s HIS 92 Cb 0.02 -0.09 -0.09 0.00 1.11 0.00 0.00 32.58 33.54 3kdf s HIS 92 CO 0.30 -0.12 1.24 -1.25 -0.85 0.00 0.00 174.74 174.05 3kdf s PRO 93 N 0.86 4.05 -0.03 8.40 0.04 -1.26 -4.43 135.00 142.64 3kdf s PRO 93 Ca -0.07 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.69 3kdf s PRO 93 Cb -0.09 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3kdf s PRO 93 CO -0.04 -0.37 0.98 0.12 0.04 0.00 0.00 177.00 177.73 3kdf s PHE 94 N -1.31 3.62 -0.92 0.56 5.36 -1.26 -4.98 117.98 119.04 3kdf s PHE 94 Ca 0.56 1.66 -0.21 0.00 -0.96 0.00 0.00 56.93 57.98 3kdf s PHE 94 Cb -0.35 -3.13 0.09 0.00 -0.34 0.00 0.00 43.02 39.28 3kdf s PHE 94 CO 0.44 -0.07 1.24 0.34 -1.46 0.00 0.00 175.22 175.71 3kdf s ASP 95 N 1.03 6.49 0.38 6.13 -1.08 -1.26 -4.86 116.67 123.52 3kdf s ASP 95 Ca 0.51 -1.59 0.17 0.00 -0.52 0.00 0.00 52.55 51.12 3kdf s ASP 95 Cb -0.20 -2.48 0.77 0.00 -1.46 0.00 0.00 42.92 39.55 3kdf s ASP 95 CO 0.25 -1.33 1.80 0.25 0.52 0.00 0.00 175.17 176.66 3kdf h LEU 96 N 11.60 0.00 -0.29 -1.34 5.85 -1.96 -2.11 115.31 127.06 3kdf h LEU 96 Ca 0.09 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kdf h LEU 96 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 3kdf h LEU 96 CO 1.25 0.36 0.09 1.23 -0.34 0.00 0.00 178.44 181.03 3kdf h GLY 97 N 1.59 0.49 1.06 3.75 0.00 -1.89 -0.47 103.07 107.60 3kdf h GLY 97 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 3kdf h GLY 97 CO 0.05 0.27 0.38 -2.00 0.00 0.00 0.00 176.54 175.24 3kdf h LEU 98 N 0.30 1.10 -0.56 3.11 5.85 -1.87 -2.31 115.31 120.93 3kdf h LEU 98 Ca 0.09 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3kdf h LEU 98 Cb 0.25 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kdf h LEU 98 CO -0.00 0.94 0.35 0.22 -0.34 0.00 0.00 178.44 179.60 3kdf h TYR 99 N 1.19 0.73 -0.88 1.25 3.20 -1.18 -1.33 116.97 119.94 3kdf h TYR 99 Ca 0.28 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.24 3kdf h TYR 99 Cb 0.15 -0.24 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 3kdf h TYR 99 CO 0.02 0.49 0.54 -0.97 -1.64 0.00 0.00 178.16 176.60 3kdf h ASN 100 N 0.76 0.82 -0.23 -2.11 -1.24 -0.74 0.94 115.58 113.77 3kdf h ASN 100 Ca 0.20 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.19 3kdf h ASN 100 Cb -0.03 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 3kdf h ASN 100 CO -0.04 0.50 -0.01 -0.33 -1.29 0.00 0.00 177.43 176.26 3kdf h GLU 101 N 0.94 0.54 -0.43 6.67 4.39 -0.81 -1.43 114.58 124.46 3kdf h GLU 101 Ca 0.41 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 59.86 3kdf h GLU 101 Cb 0.27 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 3kdf h GLU 101 CO -0.21 0.57 -0.25 0.00 -1.16 0.00 0.00 179.01 177.96 3kdf h ALA 102 N 1.48 0.74 -0.84 3.43 0.00 -0.04 -0.88 119.26 123.16 3kdf h ALA 102 Ca 0.11 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3kdf h ALA 102 Cb 0.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.93 3kdf h ALA 102 CO 0.01 0.66 0.54 0.28 0.00 0.00 0.00 179.25 180.75 3kdf h VAL 103 N 0.77 1.17 -0.61 0.00 2.07 -0.37 0.09 116.25 119.36 3kdf h VAL 103 Ca 0.10 -0.37 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 3kdf h VAL 103 Cb 0.81 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3kdf h VAL 103 CO 0.07 0.20 -0.00 0.11 0.02 0.00 0.00 177.57 177.96 3kdf h LYS 104 N 1.08 1.08 -0.24 1.57 1.57 -0.97 -2.68 116.57 117.98 3kdf h LYS 104 Ca 0.32 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3kdf h LYS 104 Cb -0.05 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 3kdf h LYS 104 CO -0.09 1.05 0.10 0.82 -0.57 0.00 0.00 179.45 180.75 3kdf h ILE 105 N 0.98 1.16 -0.76 1.86 1.08 -0.79 -1.36 117.51 119.68 3kdf h ILE 105 Ca 0.17 -0.49 0.18 0.00 -0.39 0.00 0.00 64.86 64.33 3kdf h ILE 105 Cb 0.56 1.05 -0.13 0.00 -3.07 0.00 0.00 36.82 35.24 3kdf h ILE 105 CO 0.03 0.16 0.08 0.40 -0.69 0.00 0.00 178.15 178.14 3kdf h ILE 106 N 0.24 0.39 0.00 -0.67 2.04 -0.79 0.30 117.51 119.01 3kdf h ILE 106 Ca 0.08 -0.06 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 3kdf h ILE 106 Cb 0.17 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3kdf h ILE 106 CO -0.01 0.03 -0.52 0.45 0.00 0.00 0.00 178.15 178.10 3kdf h HIS 107 N 0.16 0.00 0.00 1.37 3.86 -1.19 -3.14 115.15 116.21 3kdf h HIS 107 Ca 0.43 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.50 3kdf h HIS 107 Cb 0.77 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 3kdf h HIS 107 CO -0.35 0.45 -1.11 -0.44 0.86 0.00 0.00 177.93 177.33 3kdf h ASP 108 N 0.00 0.00 -1.64 2.45 3.32 -0.71 -3.37 116.42 116.47 3kdf h ASP 108 Ca -0.02 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.45 3kdf h ASP 108 Cb 1.35 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.49 3kdf h ASP 108 CO 0.06 0.50 -0.73 0.49 -1.72 0.00 0.00 179.24 177.83 3kdf n PHE 109 N -2.96 3.45 0.27 4.55 3.01 0.04 -4.90 117.46 120.92 3kdf n PHE 109 Ca -0.05 -3.26 0.15 0.00 1.01 0.00 0.00 57.45 55.29 3kdf n PHE 109 Cb 0.78 -0.16 0.86 0.00 -0.01 0.00 0.00 39.48 40.95 3kdf n PHE 109 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kdf h PRO 110 N 2.66 0.00 0.00 -1.08 0.13 -1.72 -0.58 132.00 131.40 3kdf h PRO 110 Ca 0.26 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.38 3kdf h PRO 110 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3kdf h PRO 110 CO 0.83 0.00 -0.03 1.96 -0.23 0.00 0.00 178.00 180.54 3kdf h GLN 111 N 0.00 0.00 -0.31 0.86 7.50 -1.90 -2.58 115.11 118.68 3kdf h GLN 111 Ca 0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.17 3kdf h GLN 111 Cb 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 3kdf h GLN 111 CO -0.00 0.03 0.00 1.19 -1.50 0.00 0.00 178.83 178.54 3kdf n PHE 112 N -3.41 0.41 -2.90 2.96 3.72 -0.23 -4.61 117.46 113.40 3kdf n PHE 112 Ca -0.02 -0.44 -0.13 0.00 -0.05 0.00 0.00 57.45 56.81 3kdf n PHE 112 Cb 0.13 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.65 3kdf n PHE 112 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 3kdf n TYR 113 N 0.54 -2.41 -2.31 1.38 9.36 -0.97 -5.14 117.16 117.62 3kdf n TYR 113 Ca 0.11 -2.32 -0.41 0.00 3.32 0.00 0.00 57.90 58.60 3kdf n TYR 113 Cb 0.41 0.94 -0.03 0.00 -0.63 0.00 0.00 39.34 40.03 3kdf n TYR 113 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 3kdf s PRO 114 N 0.12 4.49 -0.71 2.98 0.02 -1.21 -4.81 135.00 135.88 3kdf s PRO 114 Ca 0.33 1.99 -0.23 0.00 0.02 0.00 0.00 61.00 63.11 3kdf s PRO 114 Cb 0.19 -3.16 0.07 0.00 0.02 0.00 0.00 34.50 31.62 3kdf s PRO 114 CO -0.19 -0.03 1.04 -1.17 -0.33 0.00 0.00 177.00 176.32 3kdf s LEU 115 N -1.19 4.28 0.00 -5.54 2.96 -1.26 -4.91 118.68 113.01 3kdf s LEU 115 Ca 0.49 -1.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.34 3kdf s LEU 115 Cb -0.35 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 43.90 3kdf s LEU 115 CO 0.44 -1.45 0.00 0.61 -1.32 0.00 0.00 176.35 174.63 3kdf n GLY 116 N 5.42 -1.88 3.64 7.98 0.00 -1.26 -4.85 105.19 114.24 3kdf n GLY 116 Ca 0.02 -1.35 -0.46 0.00 0.00 0.00 0.00 46.02 44.22 3kdf n GLY 116 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3kdf n ILE 117 N -0.34 0.55 -0.12 -0.61 -5.35 -1.26 -5.14 119.36 107.10 3kdf n ILE 117 Ca 0.00 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 3kdf n ILE 117 Cb 0.00 -2.06 0.00 0.00 -1.74 0.00 0.00 39.64 35.84 3kdf n ILE 117 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31