#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4f s SER 2 N 0.00 2.57 0.18 1.61 0.01 -1.26 -5.10 113.70 111.71 1x4f s SER 2 Ca 0.00 0.38 -0.20 0.00 1.31 0.00 0.00 55.95 57.45 1x4f s SER 2 Cb 0.00 -0.49 0.04 0.00 0.21 0.00 0.00 66.02 65.78 1x4f s SER 2 CO 0.00 -3.08 0.55 -0.55 0.41 0.00 0.00 173.24 170.57 1x4f s SER 3 N -4.62 -0.37 0.00 2.44 0.15 -1.26 -5.19 113.70 104.87 1x4f s SER 3 Ca 0.73 -0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.08 1x4f s SER 3 Cb -0.06 0.59 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1x4f s SER 3 CO 0.54 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1x4f n GLY 4 N -0.35 5.78 3.27 9.45 0.00 -1.26 -5.17 105.19 116.92 1x4f n GLY 4 Ca -0.13 -1.53 0.03 0.00 0.00 0.00 0.00 46.02 44.40 1x4f n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4f s SER 5 N 1.00 -0.56 0.00 1.61 1.04 -1.26 -5.15 113.70 110.38 1x4f s SER 5 Ca 0.00 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.00 1x4f s SER 5 Cb 0.00 1.56 0.00 0.00 0.10 0.00 0.00 66.02 67.68 1x4f s SER 5 CO 0.00 -0.11 0.00 -1.20 0.98 0.00 0.00 173.24 172.91 1x4f n SER 6 N 5.17 0.00 0.00 7.02 7.64 -1.26 -5.15 113.62 127.04 1x4f n SER 6 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1x4f n SER 6 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1x4f n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 7 N 0.00 1.38 2.62 0.23 0.00 -1.26 -5.13 105.19 103.03 1x4f n GLY 7 Ca 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 46.02 46.22 1x4f n GLY 7 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x4f n LYS 8 N 0.00 -4.23 -3.27 1.61 5.02 -1.26 -5.02 118.16 111.01 1x4f n LYS 8 Ca 0.00 3.19 -0.22 0.00 -2.02 0.00 0.00 58.31 59.26 1x4f n LYS 8 Cb 0.00 -4.44 -0.08 0.00 -0.02 0.00 0.00 35.03 30.49 1x4f n LYS 8 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1x4f s LYS 9 N -0.56 0.91 1.03 1.97 2.20 -1.26 -5.14 119.74 118.88 1x4f s LYS 9 Ca -0.22 -1.82 -0.13 0.00 -0.36 0.00 0.00 55.97 53.44 1x4f s LYS 9 Cb 0.01 -1.11 0.20 0.00 -1.51 0.00 0.00 37.83 35.43 1x4f s LYS 9 CO 0.59 -1.36 1.09 -1.25 -0.36 0.00 0.00 175.35 174.06 1x4f s PRO 10 N 0.32 0.20 0.00 4.03 0.04 -1.26 -4.96 135.00 133.36 1x4f s PRO 10 Ca 0.31 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.80 1x4f s PRO 10 Cb 0.01 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.84 1x4f s PRO 10 CO -0.15 -2.87 0.00 -1.91 0.04 0.00 0.00 177.00 172.10 1x4f n GLU 11 N -4.26 0.00 -2.29 4.56 2.13 -1.26 -5.13 120.64 114.38 1x4f n GLU 11 Ca 0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.84 1x4f n GLU 11 Cb 0.58 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.26 1x4f n GLU 11 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x4f n GLY 12 N -0.98 -5.04 2.50 8.31 0.00 -1.26 -5.03 105.19 103.69 1x4f n GLY 12 Ca 0.00 0.95 -0.24 0.00 0.00 0.00 0.00 46.02 46.73 1x4f n GLY 12 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4f s LYS 13 N -0.78 0.80 0.00 1.61 2.47 -1.26 -5.14 119.74 117.44 1x4f s LYS 13 Ca -0.16 -1.65 0.00 0.00 -1.56 0.00 0.00 55.97 52.60 1x4f s LYS 13 Cb 0.01 -1.14 0.00 0.00 -1.46 0.00 0.00 37.83 35.24 1x4f s LYS 13 CO 0.44 -1.32 0.00 -0.35 0.16 0.00 0.00 175.35 174.28 1x4f n PRO 14 N 3.32 0.21 -3.78 4.03 -0.04 -1.26 -5.09 135.00 132.40 1x4f n PRO 14 Ca 0.22 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.55 1x4f n PRO 14 Cb 0.46 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.79 1x4f n PRO 14 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1x4f s ASP 15 N -1.52 -0.22 -0.35 3.54 -1.08 -1.26 -5.12 116.67 110.67 1x4f s ASP 15 Ca 0.00 0.43 0.03 0.00 -0.52 0.00 0.00 52.55 52.49 1x4f s ASP 15 Cb 0.00 0.39 0.15 0.00 -1.46 0.00 0.00 42.92 42.01 1x4f s ASP 15 CO 0.00 -0.10 0.38 -1.58 0.52 0.00 0.00 175.17 174.38 1x4f s GLN 16 N 0.53 0.58 -0.35 4.34 0.74 -1.26 -5.05 119.66 119.19 1x4f s GLN 16 Ca -0.03 -0.66 -0.06 0.00 0.05 0.00 0.00 55.36 54.65 1x4f s GLN 16 Cb -0.05 -0.66 0.20 0.00 1.10 0.00 0.00 33.01 33.60 1x4f s GLN 16 CO -0.03 -1.16 1.01 0.15 -0.55 0.00 0.00 175.29 174.72 1x4f s LYS 17 N 1.66 0.31 0.18 1.67 1.02 -1.26 -5.04 119.74 118.28 1x4f s LYS 17 Ca 0.15 -0.21 -0.13 0.00 0.02 0.00 0.00 55.97 55.80 1x4f s LYS 17 Cb -0.14 0.01 0.15 0.00 -0.52 0.00 0.00 37.83 37.33 1x4f s LYS 17 CO -0.10 -0.41 1.76 0.74 -0.92 0.00 0.00 175.35 176.43 1x4f h PHE 18 N 5.02 0.37 -0.83 3.18 0.04 -2.09 -3.40 116.94 119.24 1x4f h PHE 18 Ca -0.01 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1x4f h PHE 18 Cb 1.19 -0.09 -0.17 0.00 2.20 0.00 0.00 35.95 39.08 1x4f h PHE 18 CO -0.06 0.15 -0.40 0.34 -0.60 0.00 0.00 178.31 177.74 1x4f s ASP 19 N -5.43 -1.23 0.31 2.17 -1.08 -1.26 -5.16 116.67 105.00 1x4f s ASP 19 Ca -0.13 -1.11 0.03 0.00 -0.52 0.00 0.00 52.55 50.82 1x4f s ASP 19 Cb 0.14 1.59 -0.05 0.00 -1.46 0.00 0.00 42.92 43.14 1x4f s ASP 19 CO 0.73 -0.08 0.10 -1.58 0.52 0.00 0.00 175.17 174.86 1x4f s GLN 20 N 1.29 1.60 -0.40 4.34 0.74 -1.26 -5.13 119.66 120.84 1x4f s GLN 20 Ca 0.23 -1.90 0.01 0.00 0.05 0.00 0.00 55.36 53.76 1x4f s GLN 20 Cb 0.01 -0.48 0.19 0.00 1.10 0.00 0.00 33.01 33.83 1x4f s GLN 20 CO -0.07 -0.32 0.82 0.21 -0.55 0.00 0.00 175.29 175.38 1x4f s LYS 21 N -3.90 0.63 -0.25 1.67 2.20 -1.26 -5.03 119.74 113.80 1x4f s LYS 21 Ca 0.35 -0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 55.53 1x4f s LYS 21 Cb 0.07 0.03 -0.17 0.00 -1.51 0.00 0.00 37.83 36.25 1x4f s LYS 21 CO 0.15 -0.86 -0.19 0.94 -0.36 0.00 0.00 175.35 175.03 1x4f n GLN 22 N 3.63 0.64 0.00 4.03 7.27 -1.26 -4.98 117.38 126.71 1x4f n GLN 22 Ca 0.11 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.38 1x4f n GLN 22 Cb 0.59 -1.54 0.00 0.00 2.41 0.00 0.00 30.24 31.71 1x4f n GLN 22 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1x4f n GLU 23 N -3.54 0.00 -2.79 3.69 1.02 -1.26 -5.13 120.64 112.63 1x4f n GLU 23 Ca -0.46 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.25 1x4f n GLU 23 Cb 0.96 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 32.35 1x4f n GLU 23 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4f s LEU 24 N 0.00 4.00 -0.16 -4.62 2.01 -1.26 -5.03 118.68 113.62 1x4f s LEU 24 Ca 0.00 0.76 -0.12 0.00 0.01 0.00 0.00 54.13 54.77 1x4f s LEU 24 Cb 0.00 -3.30 -0.05 0.00 0.01 0.00 0.00 46.19 42.85 1x4f s LEU 24 CO 0.00 -0.80 0.24 -0.83 1.01 0.00 0.00 176.35 175.97 1x4f s GLY 25 N 1.73 2.17 -0.49 -3.19 0.00 -1.26 -5.05 107.32 101.23 1x4f s GLY 25 Ca 0.39 -0.52 -0.15 0.00 0.00 0.00 0.00 44.72 44.44 1x4f s GLY 25 CO 0.16 0.29 0.41 0.50 0.00 0.00 0.00 173.10 174.46 1x4f s ARG 26 N 0.30 2.92 -0.03 2.90 3.00 -1.09 -4.85 118.95 122.09 1x4f s ARG 26 Ca 0.14 -1.50 0.01 0.00 0.00 0.00 0.00 55.73 54.39 1x4f s ARG 26 Cb -0.12 -4.14 0.01 0.00 0.00 0.00 0.00 34.95 30.70 1x4f s ARG 26 CO 0.03 -1.12 -0.04 0.08 0.00 0.00 0.00 175.30 174.24 1x4f s VAL 27 N 1.59 0.43 -0.42 3.52 1.01 -1.26 -3.82 120.40 121.44 1x4f s VAL 27 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1x4f s VAL 27 Cb -0.26 -0.43 0.06 0.00 0.00 0.00 0.00 36.38 35.74 1x4f s VAL 27 CO 0.05 0.17 0.29 -0.63 0.00 0.00 0.00 175.10 174.98 1x4f s ILE 28 N 0.56 4.74 -0.26 2.22 -1.09 -0.35 -1.09 121.20 125.93 1x4f s ILE 28 Ca -0.07 -1.09 -0.27 0.00 -2.23 0.00 0.00 60.65 57.00 1x4f s ILE 28 Cb -0.10 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1x4f s ILE 28 CO -0.00 -0.44 0.95 -2.28 -1.23 0.00 0.00 174.94 171.93 1x4f s HIS 29 N 1.55 3.28 -0.34 3.97 2.46 0.11 -1.36 115.29 124.97 1x4f s HIS 29 Ca 0.03 1.23 -0.01 0.00 0.47 0.00 0.00 55.06 56.79 1x4f s HIS 29 Cb -0.22 -3.26 0.08 0.00 -0.13 0.00 0.00 32.58 29.04 1x4f s HIS 29 CO 0.05 -0.51 0.06 -0.51 -2.47 0.00 0.00 174.74 171.36 1x4f s LEU 30 N 3.13 4.43 0.44 8.88 1.43 0.34 -0.89 118.68 136.44 1x4f s LEU 30 Ca 0.40 -1.69 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 1x4f s LEU 30 Cb -0.14 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1x4f s LEU 30 CO 0.09 -0.36 0.44 -0.44 0.23 0.00 0.00 176.35 176.30 1x4f s SER 31 N 1.35 5.10 -1.45 2.29 0.01 -0.25 -2.04 113.70 118.70 1x4f s SER 31 Ca 0.02 -0.76 -0.12 0.00 1.31 0.00 0.00 55.95 56.40 1x4f s SER 31 Cb -0.21 -0.42 0.05 0.00 0.21 0.00 0.00 66.02 65.65 1x4f s SER 31 CO -0.04 -0.76 1.08 -3.20 0.41 0.00 0.00 173.24 170.73 1x4f n ASN 32 N -1.66 -5.57 -4.80 2.44 5.15 -1.25 -1.45 115.26 108.12 1x4f n ASN 32 Ca 0.05 -0.67 -0.34 0.00 -0.60 0.00 0.00 54.58 53.02 1x4f n ASN 32 Cb 0.62 -4.43 -0.03 0.00 -0.53 0.00 0.00 39.78 35.41 1x4f n ASN 32 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1x4f s LEU 33 N -7.30 3.84 0.00 1.20 1.43 -1.26 -4.21 118.68 112.38 1x4f s LEU 33 Ca 0.63 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1x4f s LEU 33 Cb -0.30 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.36 1x4f s LEU 33 CO 0.78 -0.81 0.00 -0.81 0.23 0.00 0.00 176.35 175.75 1x4f n PRO 34 N -0.98 0.18 -2.68 1.29 -0.04 -1.26 -4.94 135.00 126.57 1x4f n PRO 34 Ca 0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 1x4f n PRO 34 Cb 0.52 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.04 1x4f n PRO 34 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 1x4f n HIS 35 N -1.32 -1.48 -0.57 0.54 -0.00 -1.26 -4.98 115.22 106.14 1x4f n HIS 35 Ca 0.00 -1.35 -0.10 0.00 0.46 0.00 0.00 57.72 56.74 1x4f n HIS 35 Cb 0.00 1.40 0.20 0.00 -0.12 0.00 0.00 29.99 31.47 1x4f n HIS 35 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1x4f n SER 36 N -0.43 3.92 -2.17 0.26 7.64 -1.26 -4.86 113.62 116.71 1x4f n SER 36 Ca -0.13 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 56.61 1x4f n SER 36 Cb 0.75 -0.71 0.04 0.00 -1.01 0.00 0.00 64.21 63.28 1x4f n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4f n GLY 37 N -0.30 0.14 3.96 0.23 0.00 -1.26 -5.03 105.19 102.93 1x4f n GLY 37 Ca 0.36 -0.18 -0.24 0.00 0.00 0.00 0.00 46.02 45.96 1x4f n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x4f s TYR 38 N -3.17 2.37 0.36 1.61 -0.85 -1.26 -5.11 117.35 111.30 1x4f s TYR 38 Ca 0.28 0.07 0.07 0.00 -0.52 0.00 0.00 57.07 56.98 1x4f s TYR 38 Cb -0.13 -3.08 -0.01 0.00 0.38 0.00 0.00 41.96 39.12 1x4f s TYR 38 CO 0.39 -1.45 0.44 0.45 -1.52 0.00 0.00 175.55 173.86 1x4f s SER 39 N -4.59 5.64 0.18 -0.18 0.15 -1.26 -5.02 113.70 108.62 1x4f s SER 39 Ca 0.62 -0.37 -0.14 0.00 0.70 0.00 0.00 55.95 56.76 1x4f s SER 39 Cb -0.08 -0.97 0.15 0.00 -1.71 0.00 0.00 66.02 63.41 1x4f s SER 39 CO 0.43 -0.51 1.72 -2.24 1.20 0.00 0.00 173.24 173.84 1x4f h ASP 40 N 0.93 0.00 -0.89 5.45 2.03 -2.01 -1.67 116.42 120.27 1x4f h ASP 40 Ca -0.44 0.08 0.24 0.00 -0.73 0.00 0.00 57.03 56.18 1x4f h ASP 40 Cb 1.26 0.11 -0.14 0.00 -0.83 0.00 0.00 39.33 39.73 1x4f h ASP 40 CO 0.53 0.03 0.29 0.28 -1.03 0.00 0.00 179.24 179.34 1x4f h SER 41 N 0.22 0.10 -0.77 4.15 0.02 -1.97 0.77 113.55 116.07 1x4f h SER 41 Ca 0.22 0.19 0.17 0.00 -0.84 0.00 0.00 61.79 61.53 1x4f h SER 41 Cb 0.28 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.01 1x4f h SER 41 CO -0.29 -0.13 0.52 0.00 -1.14 0.00 0.00 176.83 175.78 1x4f h ALA 42 N 1.78 2.23 0.00 3.77 0.00 -1.70 0.39 119.26 125.73 1x4f h ALA 42 Ca 0.57 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.40 1x4f h ALA 42 Cb 1.16 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1x4f h ALA 42 CO -0.63 -0.45 -0.44 0.28 0.00 0.00 0.00 179.25 178.01 1x4f h VAL 43 N 0.34 0.67 0.00 0.00 2.07 0.50 -3.20 116.25 116.63 1x4f h VAL 43 Ca 0.38 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1x4f h VAL 43 Cb 1.00 2.31 0.00 0.00 -1.52 0.00 0.00 31.29 33.08 1x4f h VAL 43 CO -0.11 0.38 -0.64 0.18 0.02 0.00 0.00 177.57 177.40 1x4f n LEU 44 N -3.18 0.58 0.27 2.57 4.77 0.78 -3.96 117.00 118.84 1x4f n LEU 44 Ca 0.02 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.13 1x4f n LEU 44 Cb 0.70 -0.20 0.77 0.00 -2.33 0.00 0.00 43.42 42.36 1x4f n LEU 44 CO 0.39 0.09 1.06 0.11 -1.33 0.00 0.00 177.39 177.71 1x4f h LYS 45 N 0.00 0.00 -0.00 3.23 1.57 -0.40 0.87 116.57 121.84 1x4f h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x4f h LYS 45 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.89 1x4f h LYS 45 CO 0.00 0.04 -0.09 1.47 -0.57 0.00 0.00 179.45 180.31 1x4f n LEU 46 N -4.02 0.53 0.00 2.94 -0.00 -1.25 -3.61 117.00 111.58 1x4f n LEU 46 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.93 1x4f n LEU 46 Cb 0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 43.42 43.41 1x4f n LEU 46 CO 0.30 0.10 0.02 0.00 -0.00 0.00 0.00 177.39 177.81 1x4f n ALA 47 N -0.84 1.48 0.45 1.47 0.00 0.27 -4.73 120.51 118.61 1x4f n ALA 47 Ca 0.16 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.38 1x4f n ALA 47 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 1x4f n ALA 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1x4f h GLU 48 N 0.00 -1.10 0.00 0.00 4.39 0.57 -1.63 114.58 116.81 1x4f h GLU 48 Ca 0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1x4f h GLU 48 Cb 0.02 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1x4f h GLU 48 CO 0.00 -0.73 0.00 -0.35 -1.16 0.00 0.00 179.01 176.77 1x4f n PRO 49 N -5.20 0.49 -0.11 2.33 -0.04 -1.26 -2.53 135.00 128.69 1x4f n PRO 49 Ca -0.14 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.16 1x4f n PRO 49 Cb 0.45 -1.40 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 1x4f n PRO 49 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1x4f n TYR 50 N -0.90 0.14 0.00 0.54 4.02 -1.00 -5.08 117.16 114.88 1x4f n TYR 50 Ca 0.09 0.03 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1x4f n TYR 50 Cb 0.04 -1.02 0.00 0.00 -0.02 0.00 0.00 39.34 38.34 1x4f n TYR 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1x4f n GLY 51 N 2.06 0.42 3.65 2.72 0.00 -0.65 -4.37 105.19 109.02 1x4f n GLY 51 Ca -0.40 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 1x4f n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4f s LYS 52 N -2.00 4.03 -0.82 1.61 1.02 -1.26 -4.41 119.74 117.91 1x4f s LYS 52 Ca 0.00 1.94 -0.25 0.00 0.02 0.00 0.00 55.97 57.68 1x4f s LYS 52 Cb 0.00 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 33.30 1x4f s LYS 52 CO 0.00 -1.01 1.86 0.42 -0.92 0.00 0.00 175.35 175.70 1x4f s ILE 53 N 4.46 3.47 0.15 2.17 1.01 -1.26 -0.85 121.20 130.34 1x4f s ILE 53 Ca 0.71 -0.21 0.27 0.00 0.00 0.00 0.00 60.65 61.42 1x4f s ILE 53 Cb -0.29 -4.11 0.28 0.00 0.01 0.00 0.00 42.46 38.35 1x4f s ILE 53 CO 0.28 -1.05 1.88 0.11 0.00 0.00 0.00 174.94 176.16 1x4f h LYS 54 N 12.17 0.00 -1.52 2.79 6.56 -1.68 -3.46 116.57 131.43 1x4f h LYS 54 Ca -0.01 0.00 0.13 0.00 -1.06 0.00 0.00 60.65 59.71 1x4f h LYS 54 Cb 1.05 0.00 -0.23 0.00 -0.57 0.00 0.00 32.23 32.48 1x4f h LYS 54 CO 1.23 0.16 0.64 1.21 -2.06 0.00 0.00 179.45 180.64 1x4f s ASN 55 N -6.07 -0.29 0.02 0.86 2.47 -1.16 -5.03 114.94 105.75 1x4f s ASN 55 Ca 0.00 0.27 -0.09 0.00 0.42 0.00 0.00 52.86 53.46 1x4f s ASN 55 Cb 0.10 0.25 0.00 0.00 -1.45 0.00 0.00 41.25 40.15 1x4f s ASN 55 CO 0.61 -0.30 0.18 -0.72 -3.72 0.00 0.00 177.10 173.15 1x4f s TYR 56 N -1.37 0.04 -0.11 0.43 1.13 -1.26 -0.24 117.35 115.97 1x4f s TYR 56 Ca 0.02 -0.19 -0.02 0.00 -1.41 0.00 0.00 57.07 55.47 1x4f s TYR 56 Cb -0.01 -0.03 0.04 0.00 -1.10 0.00 0.00 41.96 40.86 1x4f s TYR 56 CO -0.02 -0.38 0.00 0.42 -2.51 0.00 0.00 175.55 173.07 1x4f s ILE 57 N -2.10 0.47 -0.58 -3.49 -1.09 0.13 -4.96 121.20 109.58 1x4f s ILE 57 Ca -0.09 -0.08 -0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1x4f s ILE 57 Cb -0.03 -0.70 0.15 0.00 -1.58 0.00 0.00 42.46 40.30 1x4f s ILE 57 CO -0.01 0.16 0.45 -0.76 -1.23 0.00 0.00 174.94 173.54 1x4f s LEU 58 N 1.92 5.82 -0.41 2.97 2.01 -1.26 -0.84 118.68 128.89 1x4f s LEU 58 Ca 0.04 -2.27 -0.17 0.00 0.01 0.00 0.00 54.13 51.74 1x4f s LEU 58 Cb -0.13 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 44.06 1x4f s LEU 58 CO -0.06 -0.60 0.41 -0.04 1.01 0.00 0.00 176.35 177.07 1x4f s MET 59 N 0.82 3.17 0.06 1.70 -1.94 0.77 -4.91 119.30 118.97 1x4f s MET 59 Ca 0.10 -0.72 0.26 0.00 -1.71 0.00 0.00 55.69 53.62 1x4f s MET 59 Cb -0.22 -3.94 0.61 0.00 2.01 0.00 0.00 34.83 33.29 1x4f s MET 59 CO -0.03 -0.79 1.51 -2.13 -0.01 0.00 0.00 175.02 173.57 1x4f n ARG 60 N 5.53 0.12 0.00 2.03 0.00 -1.26 -0.88 116.66 122.20 1x4f n ARG 60 Ca -0.08 0.05 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 1x4f n ARG 60 Cb 0.48 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 31.35 1x4f n ARG 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1x4f n MET 61 N -1.77 0.00 -1.79 -0.14 2.81 -1.26 -3.50 117.12 111.47 1x4f n MET 61 Ca 0.05 0.37 -0.32 0.00 -1.81 0.00 0.00 57.70 55.99 1x4f n MET 61 Cb 0.38 -1.12 0.05 0.00 -0.71 0.00 0.00 33.22 31.82 1x4f n MET 61 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1x4f n LYS 62 N -1.16 3.03 -3.54 0.03 4.01 -1.26 -4.95 118.16 114.31 1x4f n LYS 62 Ca 0.00 -3.72 -0.32 0.00 -0.51 0.00 0.00 58.31 53.76 1x4f n LYS 62 Cb 0.00 -2.28 0.03 0.00 -0.51 0.00 0.00 35.03 32.27 1x4f n LYS 62 CO 0.00 0.00 0.00 0.43 -1.11 0.00 0.00 177.40 176.72 1x4f n SER 63 N -0.72 -5.53 -3.73 4.39 7.64 -1.23 -4.87 113.62 109.56 1x4f n SER 63 Ca 0.53 -0.35 -0.11 0.00 1.01 0.00 0.00 58.87 59.96 1x4f n SER 63 Cb 0.64 -2.00 -0.06 0.00 -1.01 0.00 0.00 64.21 61.77 1x4f n SER 63 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1x4f s GLN 64 N -3.20 0.90 -0.08 1.43 -0.21 -0.06 -3.79 119.66 114.65 1x4f s GLN 64 Ca 0.26 -0.65 -0.30 0.00 0.02 0.00 0.00 55.36 54.69 1x4f s GLN 64 Cb -0.03 0.39 0.07 0.00 1.00 0.00 0.00 33.01 34.44 1x4f s GLN 64 CO 0.87 -0.31 0.67 0.00 -2.12 0.00 0.00 175.29 174.41 1x4f s ALA 65 N -3.20 -1.74 -0.14 6.09 0.00 -0.87 -0.16 121.76 121.73 1x4f s ALA 65 Ca -0.00 1.39 -0.01 0.00 0.00 0.00 0.00 51.96 53.34 1x4f s ALA 65 Cb 0.01 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1x4f s ALA 65 CO -0.07 -0.36 -0.05 -0.06 0.00 0.00 0.00 175.76 175.22 1x4f s PHE 66 N -0.96 1.50 -0.35 0.00 0.40 -0.02 -0.51 117.98 118.04 1x4f s PHE 66 Ca -0.09 -0.89 -0.07 0.00 -0.60 0.00 0.00 56.93 55.27 1x4f s PHE 66 Cb -0.01 -1.22 0.04 0.00 0.51 0.00 0.00 43.02 42.34 1x4f s PHE 66 CO 0.08 -0.56 0.13 0.42 0.70 0.00 0.00 175.22 176.00 1x4f s ILE 67 N 1.70 3.93 -0.61 0.64 1.01 -0.46 0.19 121.20 127.61 1x4f s ILE 67 Ca 0.02 -1.13 -0.25 0.00 0.00 0.00 0.00 60.65 59.29 1x4f s ILE 67 Cb -0.14 -3.24 0.04 0.00 0.01 0.00 0.00 42.46 39.13 1x4f s ILE 67 CO -0.08 -0.22 1.06 -0.70 0.00 0.00 0.00 174.94 175.00 1x4f s GLU 68 N 1.42 3.31 1.13 2.79 2.12 0.67 -1.21 118.70 128.94 1x4f s GLU 68 Ca -0.01 -0.25 -0.14 0.00 0.36 0.00 0.00 54.97 54.94 1x4f s GLU 68 Cb -0.20 -4.10 0.26 0.00 0.26 0.00 0.00 34.13 30.35 1x4f s GLU 68 CO 0.03 -1.70 1.05 -1.64 -0.54 0.00 0.00 175.26 172.47 1x4f s MET 69 N 4.49 -0.66 -0.07 4.30 -1.94 -1.25 -2.27 119.30 121.90 1x4f s MET 69 Ca 0.32 0.52 -0.23 0.00 -1.71 0.00 0.00 55.69 54.60 1x4f s MET 69 Cb -0.11 -1.61 -0.18 0.00 2.01 0.00 0.00 34.83 34.94 1x4f s MET 69 CO 0.18 -3.47 0.89 1.49 -0.01 0.00 0.00 175.02 174.10 1x4f h GLU 70 N -2.43 -0.11 -5.64 2.03 4.81 -1.28 -3.41 114.58 108.55 1x4f h GLU 70 Ca -0.56 0.01 -0.62 0.00 -0.13 0.00 0.00 59.36 58.05 1x4f h GLU 70 Cb 1.33 0.03 -0.13 0.00 0.63 0.00 0.00 28.75 30.61 1x4f h GLU 70 CO 0.51 0.43 -0.60 0.95 -0.73 0.00 0.00 179.01 179.56 1x4f s THR 71 N -3.24 1.96 0.02 0.32 -4.23 -1.26 -5.02 115.64 104.19 1x4f s THR 71 Ca -0.14 -2.01 -0.26 0.00 -1.18 0.00 0.00 61.69 58.11 1x4f s THR 71 Cb -0.00 -2.98 -0.17 0.00 1.34 0.00 0.00 72.50 70.69 1x4f s THR 71 CO 0.54 -0.01 1.38 0.03 -0.54 0.00 0.00 174.62 176.02 1x4f h ARG 72 N 1.80 -0.29 -0.77 3.99 3.08 -1.99 -3.17 114.38 117.03 1x4f h ARG 72 Ca -0.44 0.02 0.07 0.00 0.07 0.00 0.00 59.98 59.70 1x4f h ARG 72 Cb 1.24 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 31.26 1x4f h ARG 72 CO 0.80 -0.00 -0.46 0.39 -1.07 0.00 0.00 179.97 179.63 1x4f n GLU 73 N -5.10 -0.34 0.00 0.04 1.02 -1.26 -0.35 120.64 114.65 1x4f n GLU 73 Ca -0.09 1.25 0.00 0.00 -0.02 0.00 0.00 57.16 58.30 1x4f n GLU 73 Cb 0.22 -1.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.80 1x4f n GLU 73 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x4f n ASP 74 N -4.86 0.00 -0.38 1.62 8.00 -1.23 0.49 116.55 120.19 1x4f n ASP 74 Ca 0.02 0.95 -0.09 0.00 0.71 0.00 0.00 54.79 56.37 1x4f n ASP 74 Cb 0.20 -0.45 -0.07 0.00 -0.02 0.00 0.00 41.12 40.78 1x4f n ASP 74 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4f h ALA 75 N -1.46 -0.44 -0.81 2.24 0.00 -1.31 0.89 119.26 118.36 1x4f h ALA 75 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1x4f h ALA 75 Cb 0.00 1.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1x4f h ALA 75 CO 0.00 -0.91 0.53 0.52 0.00 0.00 0.00 179.25 179.39 1x4f h MET 76 N -0.05 0.53 -0.09 0.00 2.86 -0.41 0.11 114.93 117.88 1x4f h MET 76 Ca 0.18 -0.03 -0.10 0.00 -2.06 0.00 0.00 59.70 57.69 1x4f h MET 76 Cb 0.47 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1x4f h MET 76 CO -0.90 0.35 -0.41 0.00 1.06 0.00 0.00 176.91 177.01 1x4f h ALA 77 N 1.62 1.16 0.37 6.32 0.00 0.59 -2.07 119.26 127.25 1x4f h ALA 77 Ca 0.40 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1x4f h ALA 77 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1x4f h ALA 77 CO -0.15 0.57 -0.18 1.98 0.00 0.00 0.00 179.25 181.47 1x4f h MET 78 N 0.16 -0.47 -0.92 0.00 4.05 0.17 -1.50 114.93 116.41 1x4f h MET 78 Ca 0.01 0.03 0.07 0.00 -0.28 0.00 0.00 59.70 59.54 1x4f h MET 78 Cb 0.79 0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 31.64 1x4f h MET 78 CO 0.06 -0.16 0.59 -0.39 0.23 0.00 0.00 176.91 177.25 1x4f h VAL 79 N -0.94 1.05 -0.31 -5.77 -1.51 -1.44 -2.17 116.25 105.15 1x4f h VAL 79 Ca -0.05 -0.35 -0.04 0.00 -1.23 0.00 0.00 66.70 65.03 1x4f h VAL 79 Cb 0.53 -0.06 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1x4f h VAL 79 CO 0.08 0.19 0.05 0.44 -1.23 0.00 0.00 177.57 177.10 1x4f h ASP 80 N 1.02 0.50 0.00 4.19 3.32 -1.39 -2.28 116.42 121.78 1x4f h ASP 80 Ca 0.40 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.19 1x4f h ASP 80 Cb 0.23 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1x4f h ASP 80 CO -0.16 0.64 0.17 -0.74 -1.72 0.00 0.00 179.24 177.43 1x4f h HIS 81 N 0.34 0.00 0.00 4.55 2.76 -0.61 0.41 115.15 122.60 1x4f h HIS 81 Ca 0.09 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1x4f h HIS 81 Cb 0.35 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 1x4f h HIS 81 CO 0.02 0.00 -1.27 0.00 -1.30 0.00 0.00 177.93 175.39 1x4f h LEU 83 N 0.00 -0.06 -0.16 0.00 3.38 -0.01 -3.35 115.31 115.11 1x4f h LEU 83 Ca -0.07 -0.59 -0.22 0.00 0.09 0.00 0.00 57.88 57.09 1x4f h LEU 83 Cb 1.23 0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.00 1x4f h LEU 83 CO 0.02 0.62 -0.77 0.11 0.09 0.00 0.00 178.44 178.51 1x4f h LYS 84 N -0.81 0.81 -5.90 1.13 6.56 -1.67 -3.46 116.57 113.23 1x4f h LYS 84 Ca -0.01 -0.65 -0.51 0.00 -1.06 0.00 0.00 60.65 58.42 1x4f h LYS 84 Cb 0.65 0.13 -0.18 0.00 -0.57 0.00 0.00 32.23 32.26 1x4f h LYS 84 CO 0.01 1.26 -0.78 0.15 -2.06 0.00 0.00 179.45 178.03 1x4f s LYS 85 N -3.77 1.25 -0.34 3.15 1.02 -1.11 -5.11 119.74 114.83 1x4f s LYS 85 Ca -0.10 -1.39 -0.29 0.00 0.02 0.00 0.00 55.97 54.21 1x4f s LYS 85 Cb 0.09 -1.30 0.02 0.00 -0.52 0.00 0.00 37.83 36.12 1x4f s LYS 85 CO 0.91 0.26 1.09 0.00 -0.92 0.00 0.00 175.35 176.69 1x4f s ALA 86 N -2.04 3.45 -0.49 5.17 0.00 -1.26 -3.60 121.76 122.99 1x4f s ALA 86 Ca 0.15 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 1x4f s ALA 86 Cb -0.06 -3.71 0.03 0.00 0.00 0.00 0.00 23.12 19.39 1x4f s ALA 86 CO 0.06 -1.59 1.14 -1.17 0.00 0.00 0.00 175.76 174.20 1x4f s LEU 87 N 3.77 3.62 -0.24 0.00 0.20 -1.26 -5.00 118.68 119.77 1x4f s LEU 87 Ca 0.46 0.43 -0.06 0.00 0.69 0.00 0.00 54.13 55.65 1x4f s LEU 87 Cb -0.12 -3.52 -0.02 0.00 -0.43 0.00 0.00 46.19 42.11 1x4f s LEU 87 CO 0.18 -1.27 0.02 0.26 -0.29 0.00 0.00 176.35 175.25 1x4f s TRP 88 N 4.49 3.04 -0.03 5.38 0.52 -1.26 -3.66 118.94 127.41 1x4f s TRP 88 Ca 0.47 -0.72 -0.02 0.00 0.02 0.00 0.00 56.10 55.86 1x4f s TRP 88 Cb -0.07 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.06 1x4f s TRP 88 CO 0.31 -0.47 -0.03 0.35 0.02 0.00 0.00 176.95 177.13 1x4f h PHE 89 N 8.18 0.00 -2.07 -1.98 3.57 -1.89 -3.45 116.94 119.30 1x4f h PHE 89 Ca -0.39 0.00 -0.52 0.00 3.53 0.00 0.00 57.97 60.59 1x4f h PHE 89 Cb 1.16 0.00 -0.40 0.00 2.79 0.00 0.00 35.95 39.50 1x4f h PHE 89 CO 0.63 0.00 -1.03 1.04 -2.23 0.00 0.00 178.31 176.72 1x4f n GLN 90 N -2.85 1.50 -0.97 1.11 6.02 -1.26 -4.87 117.38 116.05 1x4f n GLN 90 Ca -0.01 -3.74 0.00 0.00 -0.01 0.00 0.00 57.00 53.23 1x4f n GLN 90 Cb 0.05 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.54 1x4f n GLN 90 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1x4f n GLY 91 N 0.39 0.69 3.37 1.08 0.00 -1.26 -4.97 105.19 104.49 1x4f n GLY 91 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.04 1x4f n GLY 91 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x4f s ARG 92 N -0.03 1.37 -0.54 1.61 0.52 -1.26 -5.04 118.95 115.58 1x4f s ARG 92 Ca 0.00 -1.45 -0.02 0.00 -0.52 0.00 0.00 55.73 53.73 1x4f s ARG 92 Cb 0.00 -1.53 0.23 0.00 0.52 0.00 0.00 34.95 34.17 1x4f s ARG 92 CO 0.00 0.32 2.30 0.00 0.02 0.00 0.00 175.30 177.94 1x4f n VAL 94 N 0.12 0.90 -3.03 0.00 3.14 -1.24 -4.85 118.33 113.37 1x4f n VAL 94 Ca 0.48 -0.23 -0.41 0.00 -2.96 0.00 0.00 64.34 61.22 1x4f n VAL 94 Cb 0.51 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 1x4f n VAL 94 CO 0.00 0.00 0.00 -0.75 -6.46 0.00 0.00 176.83 169.62 1x4f s LYS 95 N -0.45 4.05 -0.32 1.45 2.47 -0.53 -4.74 119.74 121.67 1x4f s LYS 95 Ca 0.59 0.59 -0.05 0.00 -1.56 0.00 0.00 55.97 55.54 1x4f s LYS 95 Cb -0.84 -3.68 0.04 0.00 -1.46 0.00 0.00 37.83 31.89 1x4f s LYS 95 CO 0.44 -0.52 0.06 0.54 0.16 0.00 0.00 175.35 176.03 1x4f s VAL 96 N 2.69 3.49 -0.03 4.02 0.11 -1.26 -1.09 120.40 128.34 1x4f s VAL 96 Ca 0.29 -1.18 -0.03 0.00 -2.93 0.00 0.00 61.98 58.14 1x4f s VAL 96 Cb -0.15 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.74 1x4f s VAL 96 CO 0.10 -0.12 0.08 -1.81 -3.33 0.00 0.00 175.10 170.02 1x4f s ASP 97 N 1.36 -0.08 0.40 3.54 1.01 -0.07 -4.50 116.67 118.32 1x4f s ASP 97 Ca -0.02 0.17 -0.27 0.00 0.71 0.00 0.00 52.55 53.14 1x4f s ASP 97 Cb -0.19 0.16 -0.09 0.00 1.01 0.00 0.00 42.92 43.80 1x4f s ASP 97 CO 0.01 -0.04 1.38 -0.76 0.21 0.00 0.00 175.17 175.97 1x4f s LEU 98 N 0.15 4.25 0.46 1.23 1.02 -1.26 0.06 118.68 124.60 1x4f s LEU 98 Ca -0.01 2.82 0.08 0.00 0.02 0.00 0.00 54.13 57.04 1x4f s LEU 98 Cb -0.02 -3.81 0.02 0.00 0.02 0.00 0.00 46.19 42.40 1x4f s LEU 98 CO -0.00 -0.88 0.53 -0.55 0.02 0.00 0.00 176.35 175.47 1x4f s SER 99 N -0.49 5.23 -0.12 2.29 0.15 -0.25 -4.78 113.70 115.73 1x4f s SER 99 Ca 0.55 -0.71 0.02 0.00 0.70 0.00 0.00 55.95 56.52 1x4f s SER 99 Cb -0.42 -0.31 -0.08 0.00 -1.71 0.00 0.00 66.02 63.50 1x4f s SER 99 CO 0.55 -0.88 -0.08 -0.62 1.20 0.00 0.00 173.24 173.40 1x4f n GLU 100 N -1.82 0.67 -1.64 5.44 1.02 -1.26 -4.52 120.64 118.52 1x4f n GLU 100 Ca 0.07 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 1x4f n GLU 100 Cb 0.61 -1.24 0.21 0.00 -0.02 0.00 0.00 31.44 31.00 1x4f n GLU 100 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x4f s LYS 101 N -2.24 -0.03 0.00 3.49 2.20 -1.26 -4.29 119.74 117.61 1x4f s LYS 101 Ca -0.14 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1x4f s LYS 101 Cb 0.04 -1.76 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1x4f s LYS 101 CO 0.29 -2.88 0.00 0.66 -0.36 0.00 0.00 175.35 173.06 1x4f n TYR 102 N -4.12 0.00 0.00 4.03 4.01 -1.26 -4.75 117.16 115.07 1x4f n TYR 102 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 1x4f n TYR 102 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 1x4f n TYR 102 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1x4f n LYS 103 N 0.00 0.00 0.00 -0.72 4.81 -1.26 -3.63 118.16 117.36 1x4f n LYS 103 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1x4f n LYS 103 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1x4f n LYS 103 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1x4f n LYS 104 N 0.00 0.35 -2.40 1.64 5.02 -1.26 -2.69 118.16 118.82 1x4f n LYS 104 Ca 0.00 -0.58 -0.01 0.00 -2.02 0.00 0.00 58.31 55.69 1x4f n LYS 104 Cb 0.00 -0.57 -0.01 0.00 -0.02 0.00 0.00 35.03 34.43 1x4f n LYS 104 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1x4f n LEU 105 N -0.06 -6.18 0.00 -0.35 4.77 -1.24 -4.89 117.00 109.05 1x4f n LEU 105 Ca 0.00 1.32 0.00 0.00 -0.03 0.00 0.00 56.01 57.30 1x4f n LEU 105 Cb 0.44 -2.79 0.00 0.00 -2.33 0.00 0.00 43.42 38.74 1x4f n LEU 105 CO 0.00 -2.68 0.00 0.55 -1.33 0.00 0.00 177.39 173.93 1x4f n VAL 106 N 0.78 0.00 -3.82 4.08 3.14 -1.26 -5.04 118.33 116.21 1x4f n VAL 106 Ca -0.10 0.00 -0.36 0.00 -2.96 0.00 0.00 64.34 60.91 1x4f n VAL 106 Cb 0.16 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.81 1x4f n VAL 106 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1x4f s SER 107 N -1.25 4.94 0.00 6.55 0.01 -1.26 -4.94 113.70 117.75 1x4f s SER 107 Ca 0.00 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1x4f s SER 107 Cb 0.00 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1x4f s SER 107 CO 0.00 -0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.05 1x4f n GLY 108 N 4.79 0.03 0.26 3.44 0.00 -1.26 -4.26 105.19 108.17 1x4f n GLY 108 Ca -0.14 0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 1x4f n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4f h PRO 109 N 0.00 0.85 -0.74 1.61 0.13 -1.95 -3.31 132.00 128.59 1x4f h PRO 109 Ca 0.00 -0.45 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1x4f h PRO 109 Cb 0.00 0.02 -0.09 0.00 0.13 0.00 0.00 31.00 31.06 1x4f h PRO 109 CO 0.00 1.09 -0.43 0.45 -0.23 0.00 0.00 178.00 178.87 1x4f n SER 110 N -4.05 -0.78 -4.76 1.44 2.88 -1.26 -4.39 113.62 102.71 1x4f n SER 110 Ca -0.02 1.48 -0.38 0.00 -1.33 0.00 0.00 58.87 58.61 1x4f n SER 110 Cb 0.54 -0.25 0.02 0.00 -0.75 0.00 0.00 64.21 63.77 1x4f n SER 110 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x4f s SER 111 N -5.00 5.76 0.00 -3.46 1.04 -1.25 -5.23 113.70 105.56 1x4f s SER 111 Ca -0.09 2.61 0.00 0.00 0.48 0.00 0.00 55.95 58.95 1x4f s SER 111 Cb 0.08 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1x4f s SER 111 CO 0.46 -1.23 0.00 0.61 0.98 0.00 0.00 173.24 174.06