#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4k s ALA 2 N 0.00 -0.22 0.21 -5.12 0.00 -1.26 -4.92 121.76 110.45 2k4k s ALA 2 Ca 0.00 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.18 2k4k s ALA 2 Cb 0.00 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2k4k s ALA 2 CO 0.00 -0.53 0.47 0.00 0.00 0.00 0.00 175.76 175.69 2k4k s ALA 3 N -3.87 -0.55 0.40 0.00 0.00 -1.26 -5.05 121.76 111.42 2k4k s ALA 3 Ca 0.07 -0.55 0.13 0.00 0.00 0.00 0.00 51.96 51.61 2k4k s ALA 3 Cb 0.05 0.91 0.83 0.00 0.00 0.00 0.00 23.12 24.90 2k4k s ALA 3 CO -0.10 -0.79 1.89 0.87 0.00 0.00 0.00 175.76 177.63 2k4k h LYS 4 N 2.28 0.00 -6.87 0.00 1.57 -2.06 -3.44 116.57 108.05 2k4k h LYS 4 Ca -0.28 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.97 2k4k h LYS 4 Cb 1.25 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.65 2k4k h LYS 4 CO 0.39 0.30 0.81 -0.06 -0.57 0.00 0.00 179.45 180.32 2k4k s PHE 5 N -4.36 2.71 0.03 -1.35 0.08 -1.26 -5.03 117.98 108.79 2k4k s PHE 5 Ca -0.03 1.02 -0.17 0.00 0.12 0.00 0.00 56.93 57.86 2k4k s PHE 5 Cb 0.15 -4.01 0.03 0.00 -0.57 0.00 0.00 43.02 38.62 2k4k s PHE 5 CO 0.71 -3.15 0.39 -1.83 -0.10 0.00 0.00 175.22 171.24 2k4k s GLU 6 N -1.33 0.86 0.10 0.44 -1.05 -1.26 -5.02 118.70 111.43 2k4k s GLU 6 Ca 0.57 -0.31 -0.34 0.00 -0.15 0.00 0.00 54.97 54.74 2k4k s GLU 6 Cb -0.46 0.38 -0.14 0.00 -0.44 0.00 0.00 34.13 33.47 2k4k s GLU 6 CO 0.55 -0.28 1.61 0.28 0.95 0.00 0.00 175.26 178.38 2k4k n VAL 7 N 0.71 0.12 0.00 1.83 0.31 -1.26 -1.77 118.33 118.27 2k4k n VAL 7 Ca -0.19 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 2k4k n VAL 7 Cb 0.59 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k4k n GLY 8 N 3.52 3.23 3.64 2.92 0.00 -0.35 -5.02 105.19 113.12 2k4k n GLY 8 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2k4k n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k4k s SER 9 N -1.15 2.57 -0.03 1.61 0.01 -0.73 -4.72 113.70 111.26 2k4k s SER 9 Ca 0.00 1.77 0.00 0.00 1.31 0.00 0.00 55.95 59.03 2k4k s SER 9 Cb 0.00 -2.38 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2k4k s SER 9 CO 0.00 -3.25 0.01 -0.69 0.41 0.00 0.00 173.24 169.72 2k4k s VAL 10 N -2.69 0.13 0.21 3.43 1.01 -1.26 -0.52 120.40 120.71 2k4k s VAL 10 Ca 0.66 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.80 2k4k s VAL 10 Cb -0.22 -0.25 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 2k4k s VAL 10 CO 0.60 0.15 0.24 -1.22 0.00 0.00 0.00 175.10 174.86 2k4k n TYR 11 N 4.30 -0.78 -4.55 5.22 4.01 -0.59 -5.00 117.16 119.77 2k4k n TYR 11 Ca -0.24 -1.62 -0.25 0.00 -0.16 0.00 0.00 57.90 55.64 2k4k n TYR 11 Cb 0.50 0.26 -0.14 0.00 -0.31 0.00 0.00 39.34 39.66 2k4k n TYR 11 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4k s THR 12 N -2.76 1.61 0.37 -0.72 2.01 -1.26 -0.67 115.64 114.21 2k4k s THR 12 Ca 0.22 -1.23 -0.13 0.00 0.31 0.00 0.00 61.69 60.85 2k4k s THR 12 Cb 0.00 -1.42 0.04 0.00 0.01 0.00 0.00 72.50 71.14 2k4k s THR 12 CO 0.15 0.14 0.72 -0.83 -0.69 0.00 0.00 174.62 174.11 2k4k s GLY 13 N -1.29 0.58 -0.06 4.40 0.00 -0.38 -4.83 107.32 105.74 2k4k s GLY 13 Ca 0.07 -0.89 0.05 0.00 0.00 0.00 0.00 44.72 43.95 2k4k s GLY 13 CO 0.02 -0.44 -0.21 0.54 0.00 0.00 0.00 173.10 173.01 2k4k s LYS 14 N -2.56 2.59 0.09 2.90 1.02 -0.42 -0.94 119.74 122.42 2k4k s LYS 14 Ca 0.18 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 55.04 2k4k s LYS 14 Cb -0.04 -2.27 -0.08 0.00 -0.52 0.00 0.00 37.83 34.93 2k4k s LYS 14 CO 0.13 0.44 1.44 0.08 -0.92 0.00 0.00 175.35 176.52 2k4k s VAL 15 N -0.30 3.31 -0.21 3.17 1.01 0.03 -0.77 120.40 126.64 2k4k s VAL 15 Ca 0.01 0.88 0.04 0.00 0.00 0.00 0.00 61.98 62.91 2k4k s VAL 15 Cb -0.13 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 2k4k s VAL 15 CO 0.03 0.05 0.22 0.35 0.00 0.00 0.00 175.10 175.74 2k4k n THR 16 N 4.19 0.00 -3.60 3.92 -2.24 0.11 -0.95 114.28 115.70 2k4k n THR 16 Ca 0.12 -0.43 -0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2k4k n THR 16 Cb 0.42 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 2k4k n THR 16 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k4k s GLY 17 N -1.18 -0.36 0.17 3.38 0.00 -1.20 -4.94 107.32 103.19 2k4k s GLY 17 Ca 0.02 1.27 0.11 0.00 0.00 0.00 0.00 44.72 46.12 2k4k s GLY 17 CO 0.13 0.36 -0.23 1.08 0.00 0.00 0.00 173.10 174.44 2k4k s LEU 18 N -2.56 2.40 0.08 0.66 1.43 -1.26 -0.88 118.68 118.55 2k4k s LEU 18 Ca 0.13 -0.83 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 2k4k s LEU 18 Cb 0.03 -1.09 -0.03 0.00 0.03 0.00 0.00 46.19 45.13 2k4k s LEU 18 CO -0.04 0.10 0.07 -1.10 0.23 0.00 0.00 176.35 175.61 2k4k s GLN 19 N -2.52 0.77 0.00 1.70 -0.21 0.43 -4.97 119.66 114.85 2k4k s GLN 19 Ca 0.17 -1.17 0.05 0.00 0.02 0.00 0.00 55.36 54.43 2k4k s GLN 19 Cb -0.08 0.27 0.22 0.00 1.00 0.00 0.00 33.01 34.42 2k4k s GLN 19 CO 0.08 -0.20 1.03 0.00 -2.12 0.00 0.00 175.29 174.07 2k4k n ALA 20 N 0.00 1.35 -0.50 6.09 0.00 -1.26 -2.27 120.51 123.93 2k4k n ALA 20 Ca -0.12 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2k4k n ALA 20 Cb 0.62 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 19.00 2k4k n ALA 20 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2k4k n TYR 21 N -1.35 0.00 0.00 0.00 4.11 -1.26 -4.96 117.16 113.71 2k4k n TYR 21 Ca 0.02 -0.18 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 2k4k n TYR 21 Cb 0.04 -0.02 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 2k4k n TYR 21 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 2k4k n GLY 22 N -0.18 -0.56 2.98 -7.48 0.00 -0.96 -1.04 105.19 97.94 2k4k n GLY 22 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 2k4k n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k4k s ALA 23 N -2.00 1.52 0.28 4.61 0.00 0.12 -0.43 121.76 125.87 2k4k s ALA 23 Ca 0.00 -0.66 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 2k4k s ALA 23 Cb 0.00 -0.89 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 2k4k s ALA 23 CO 0.00 -0.28 1.06 -0.06 0.00 0.00 0.00 175.76 176.48 2k4k s PHE 24 N 1.39 3.64 -0.15 0.00 0.08 -0.06 -0.79 117.98 122.09 2k4k s PHE 24 Ca 0.01 1.74 -0.03 0.00 0.12 0.00 0.00 56.93 58.77 2k4k s PHE 24 Cb -0.13 -3.20 0.05 0.00 -0.57 0.00 0.00 43.02 39.16 2k4k s PHE 24 CO -0.06 -0.33 0.03 0.08 -0.10 0.00 0.00 175.22 174.83 2k4k s VAL 25 N -1.21 0.43 0.46 -0.44 1.01 -0.20 -0.71 120.40 119.74 2k4k s VAL 25 Ca 0.45 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.90 2k4k s VAL 25 Cb -0.30 -0.84 -0.08 0.00 0.00 0.00 0.00 36.38 35.16 2k4k s VAL 25 CO 0.38 -0.07 1.06 0.00 0.00 0.00 0.00 175.10 176.48 2k4k s ALA 26 N 1.92 2.93 0.00 5.51 0.00 0.05 -1.26 121.76 130.91 2k4k s ALA 26 Ca 0.01 0.69 0.00 0.00 0.00 0.00 0.00 51.96 52.66 2k4k s ALA 26 Cb -0.15 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2k4k s ALA 26 CO -0.07 -0.36 0.00 1.28 0.00 0.00 0.00 175.76 176.61 2k4k n LEU 27 N -0.68 0.00 -3.48 0.00 4.77 0.14 -1.30 117.00 116.45 2k4k n LEU 27 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 2k4k n LEU 27 Cb 0.51 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2k4k n LEU 27 CO 0.42 0.00 0.43 -0.62 -1.33 0.00 0.00 177.39 176.29 2k4k s ASP 28 N -2.31 -0.52 0.04 -1.43 -1.08 -0.86 -4.91 116.67 105.60 2k4k s ASP 28 Ca 0.00 -0.07 0.02 0.00 -0.52 0.00 0.00 52.55 51.98 2k4k s ASP 28 Cb 0.00 0.60 0.13 0.00 -1.46 0.00 0.00 42.92 42.19 2k4k s ASP 28 CO 0.00 -0.99 1.05 -1.84 0.52 0.00 0.00 175.17 173.90 2k4k n GLU 29 N -0.38 0.02 -0.17 4.34 0.28 -1.26 -1.54 120.64 121.93 2k4k n GLU 29 Ca -0.15 0.49 0.02 0.00 -0.16 0.00 0.00 57.16 57.35 2k4k n GLU 29 Cb 0.64 -1.58 0.02 0.00 1.43 0.00 0.00 31.44 31.95 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2k4k n GLU 30 N -1.56 0.71 -3.89 3.44 1.02 -1.26 -5.08 120.64 114.03 2k4k n GLU 30 Ca -0.00 -1.15 -0.15 0.00 -0.02 0.00 0.00 57.16 55.84 2k4k n GLU 30 Cb 0.04 -0.74 -0.15 0.00 -0.02 0.00 0.00 31.44 30.56 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2k4k s THR 31 N -0.61 0.08 0.07 2.62 2.01 -0.59 -5.10 115.64 114.11 2k4k s THR 31 Ca 0.05 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 61.96 2k4k s THR 31 Cb 0.04 -0.14 0.03 0.00 0.01 0.00 0.00 72.50 72.44 2k4k s THR 31 CO 0.00 0.08 0.37 -1.58 -0.69 0.00 0.00 174.62 172.81 2k4k s GLN 32 N 0.61 0.93 0.34 4.92 0.74 -1.26 -0.68 119.66 125.24 2k4k s GLN 32 Ca -0.05 -0.52 0.06 0.00 0.05 0.00 0.00 55.36 54.90 2k4k s GLN 32 Cb -0.08 0.41 -0.03 0.00 1.10 0.00 0.00 33.01 34.41 2k4k s GLN 32 CO -0.01 -0.32 0.25 0.20 -0.55 0.00 0.00 175.29 174.85 2k4k s GLY 33 N -2.26 2.34 -0.18 2.59 0.00 -0.39 -4.00 107.32 105.42 2k4k s GLY 33 Ca -0.03 -1.93 -0.00 0.00 0.00 0.00 0.00 44.72 42.76 2k4k s GLY 33 CO -0.05 -1.52 -0.06 -2.27 0.00 0.00 0.00 173.10 169.20 2k4k s LEU 34 N -3.40 1.80 -0.11 0.66 2.96 -0.58 -1.04 118.68 118.98 2k4k s LEU 34 Ca 0.38 -0.76 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2k4k s LEU 34 Cb 0.03 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 2k4k s LEU 34 CO 0.25 -0.19 1.38 -0.69 -1.32 0.00 0.00 176.35 175.78 2k4k s VAL 35 N 1.58 4.02 0.44 1.68 1.01 0.03 -1.16 120.40 127.99 2k4k s VAL 35 Ca -0.00 1.27 -0.23 0.00 0.00 0.00 0.00 61.98 63.01 2k4k s VAL 35 Cb -0.16 -3.82 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 2k4k s VAL 35 CO -0.08 -0.09 1.10 -2.28 0.00 0.00 0.00 175.10 173.75 2k4k s HIS 36 N 3.41 3.06 0.35 5.22 2.46 -1.25 -0.70 115.29 127.84 2k4k s HIS 36 Ca 0.61 1.59 0.10 0.00 0.47 0.00 0.00 55.06 57.83 2k4k s HIS 36 Cb -0.26 -3.23 0.87 0.00 -0.13 0.00 0.00 32.58 29.82 2k4k s HIS 36 CO 0.21 -1.04 1.82 0.97 -2.47 0.00 0.00 174.74 174.22 2k4k h ILE 37 N 1.96 0.72 0.00 0.89 2.10 -1.43 0.11 117.51 121.87 2k4k h ILE 37 Ca -0.49 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.23 2k4k h ILE 37 Cb 1.23 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 2k4k h ILE 37 CO 0.61 0.12 0.00 -1.20 -1.08 0.00 0.00 178.15 176.60 2k4k n SER 38 N -4.64 0.00 0.00 2.19 7.64 -1.26 -1.90 113.62 115.65 2k4k n SER 38 Ca 0.21 -0.28 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2k4k n SER 38 Cb 0.60 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2k4k n SER 38 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k4k n GLU 39 N -1.09 -0.01 0.09 1.43 -0.58 0.36 -4.65 120.64 116.19 2k4k n GLU 39 Ca 0.09 -0.72 -0.06 0.00 -0.42 0.00 0.00 57.16 56.05 2k4k n GLU 39 Cb 0.07 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 29.96 2k4k n GLU 39 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2k4k h VAL 40 N 0.07 1.55 -2.79 2.62 2.07 -1.16 0.13 116.25 118.74 2k4k h VAL 40 Ca 0.00 -2.75 -0.09 0.00 0.82 0.00 0.00 66.70 64.69 2k4k h VAL 40 Cb 0.15 2.51 -0.18 0.00 -1.52 0.00 0.00 31.29 32.24 2k4k h VAL 40 CO 0.00 0.79 -0.09 -0.89 0.02 0.00 0.00 177.57 177.40 2k4k s THR 41 N -3.15 0.04 -0.02 2.57 2.01 -1.26 -3.64 115.64 112.20 2k4k s THR 41 Ca -0.01 -0.35 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2k4k s THR 41 Cb 0.11 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.79 2k4k s THR 41 CO 0.81 -0.19 1.95 1.57 -0.69 0.00 0.00 174.62 178.07 2k4k n HIS 42 N 0.87 0.08 -3.07 4.92 -0.00 -1.26 -4.78 115.22 111.98 2k4k n HIS 42 Ca -0.20 -1.03 0.00 0.00 0.46 0.00 0.00 57.72 56.96 2k4k n HIS 42 Cb 0.58 -0.51 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 2k4k n HIS 42 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2k4k n GLY 43 N 1.39 -0.98 3.59 1.57 0.00 -1.26 -5.16 105.19 104.35 2k4k n GLY 43 Ca 0.02 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 2k4k n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2k4k n PHE 44 N 0.66 0.26 -4.72 1.61 3.72 -1.26 -4.97 117.46 112.75 2k4k n PHE 44 Ca 0.00 0.36 -0.30 0.00 -0.05 0.00 0.00 57.45 57.46 2k4k n PHE 44 Cb 0.00 -1.97 -0.17 0.00 -0.94 0.00 0.00 39.48 36.40 2k4k n PHE 44 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2k4k s VAL 45 N -2.37 1.75 0.08 -4.37 1.01 -1.26 -4.91 120.40 110.33 2k4k s VAL 45 Ca 0.66 -0.81 -0.32 0.00 0.00 0.00 0.00 61.98 61.51 2k4k s VAL 45 Cb -0.25 -1.56 -0.17 0.00 0.00 0.00 0.00 36.38 34.40 2k4k s VAL 45 CO 0.58 0.49 1.63 0.11 0.00 0.00 0.00 175.10 177.91 2k4k h LYS 46 N 7.16 -0.78 -1.74 2.72 1.57 -1.96 -3.45 116.57 120.10 2k4k h LYS 46 Ca -0.28 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.57 2k4k h LYS 46 Cb 1.20 0.18 -0.24 0.00 0.08 0.00 0.00 32.23 33.45 2k4k h LYS 46 CO 0.50 -0.52 0.36 0.34 -0.57 0.00 0.00 179.45 179.56 2k4k s ASP 47 N -4.50 -0.54 0.46 0.86 -1.08 -1.26 -5.05 116.67 105.55 2k4k s ASP 47 Ca -0.17 0.95 0.15 0.00 -0.52 0.00 0.00 52.55 52.96 2k4k s ASP 47 Cb 0.04 0.94 1.09 0.00 -1.46 0.00 0.00 42.92 43.53 2k4k s ASP 47 CO 0.63 -0.24 2.02 -0.29 0.52 0.00 0.00 175.17 177.80 2k4k h ILE 48 N 3.52 0.92 0.00 4.11 2.10 -1.92 -0.01 117.51 126.24 2k4k h ILE 48 Ca -0.27 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.56 2k4k h ILE 48 Cb 1.17 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 37.47 2k4k h ILE 48 CO 0.14 0.06 0.00 -0.55 -1.08 0.00 0.00 178.15 176.72 2k4k h ASN 49 N 0.32 0.00 -0.06 2.19 7.08 -1.96 -0.19 115.58 122.96 2k4k h ASN 49 Ca 0.22 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.44 2k4k h ASN 49 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.68 2k4k h ASN 49 CO -0.05 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.68 2k4k n GLU 50 N -2.49 1.55 0.00 4.14 -0.58 -0.02 -4.18 120.64 119.06 2k4k n GLU 50 Ca 0.00 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.93 2k4k n GLU 50 Cb 0.18 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2k4k n GLU 50 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4k n HIS 51 N -0.00 0.00 -4.12 -0.32 8.25 -0.61 -4.96 115.22 113.45 2k4k n HIS 51 Ca 0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 2k4k n HIS 51 Cb 0.30 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.31 2k4k n HIS 51 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2k4k s LEU 52 N -2.24 1.70 -0.09 2.41 1.43 -0.18 -5.09 118.68 116.62 2k4k s LEU 52 Ca 0.00 -1.16 -0.04 0.00 -1.03 0.00 0.00 54.13 51.90 2k4k s LEU 52 Cb 0.00 0.40 0.05 0.00 0.03 0.00 0.00 46.19 46.67 2k4k s LEU 52 CO 0.00 -0.74 0.19 -0.44 0.23 0.00 0.00 176.35 175.59 2k4k s SER 53 N -3.03 0.28 0.44 2.29 0.01 -1.26 -4.23 113.70 108.20 2k4k s SER 53 Ca 0.23 0.41 -0.25 0.00 1.31 0.00 0.00 55.95 57.64 2k4k s SER 53 Cb 0.07 0.36 -0.08 0.00 0.21 0.00 0.00 66.02 66.58 2k4k s SER 53 CO 0.01 -0.21 1.35 -0.69 0.41 0.00 0.00 173.24 174.11 2k4k s VAL 54 N 1.86 2.37 -0.59 3.43 1.01 -1.26 -3.22 120.40 124.00 2k4k s VAL 54 Ca -0.02 0.32 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 2k4k s VAL 54 Cb -0.12 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2k4k s VAL 54 CO -0.07 0.04 0.01 0.61 0.00 0.00 0.00 175.10 175.69 2k4k n GLY 55 N 0.63 0.09 3.42 4.51 0.00 -0.12 -4.99 105.19 108.72 2k4k n GLY 55 Ca 0.05 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.27 2k4k n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k4k s ASP 56 N -2.69 3.11 -0.13 1.61 2.15 -1.20 -4.95 116.67 114.58 2k4k s ASP 56 Ca 0.00 -1.06 -0.06 0.00 0.43 0.00 0.00 52.55 51.87 2k4k s ASP 56 Cb -0.00 -0.23 -0.04 0.00 -0.30 0.00 0.00 42.92 42.35 2k4k s ASP 56 CO 0.00 -0.11 0.07 -0.70 -0.17 0.00 0.00 175.17 174.27 2k4k s GLU 57 N -3.60 3.50 -0.02 4.34 2.12 -1.26 -0.79 118.70 123.00 2k4k s GLU 57 Ca 0.27 -0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.27 2k4k s GLU 57 Cb -0.02 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.29 2k4k s GLU 57 CO 0.12 0.58 0.12 0.14 -0.54 0.00 0.00 175.26 175.68 2k4k s VAL 58 N -0.50 0.05 0.07 3.70 -7.23 -0.12 -4.99 120.40 111.38 2k4k s VAL 58 Ca 0.11 -0.41 -0.22 0.00 -1.81 0.00 0.00 61.98 59.64 2k4k s VAL 58 Cb -0.12 -0.31 -0.06 0.00 0.56 0.00 0.00 36.38 36.44 2k4k s VAL 58 CO 0.02 -0.23 0.68 -1.10 -0.31 0.00 0.00 175.10 174.16 2k4k s GLN 59 N -0.76 4.39 0.02 4.82 -0.21 -1.26 -1.25 119.66 125.42 2k4k s GLN 59 Ca -0.08 0.93 0.04 0.00 0.02 0.00 0.00 55.36 56.26 2k4k s GLN 59 Cb -0.05 -3.30 -0.02 0.00 1.00 0.00 0.00 33.01 30.65 2k4k s GLN 59 CO 0.01 0.48 -0.13 0.14 -2.12 0.00 0.00 175.29 173.67 2k4k s VAL 60 N -0.67 1.02 -0.14 1.09 -7.23 0.15 -4.76 120.40 109.85 2k4k s VAL 60 Ca 0.33 -0.78 -0.14 0.00 -1.81 0.00 0.00 61.98 59.58 2k4k s VAL 60 Cb -0.20 -0.89 -0.05 0.00 0.56 0.00 0.00 36.38 35.80 2k4k s VAL 60 CO 0.21 0.11 0.33 -0.75 -0.31 0.00 0.00 175.10 174.70 2k4k s LYS 61 N -0.75 4.23 -0.00 4.82 2.20 -0.64 -1.54 119.74 128.05 2k4k s LYS 61 Ca 0.03 0.17 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 2k4k s LYS 61 Cb -0.06 -3.41 -0.07 0.00 -1.51 0.00 0.00 37.83 32.78 2k4k s LYS 61 CO 0.00 0.27 1.64 0.08 -0.36 0.00 0.00 175.35 176.98 2k4k s VAL 62 N 0.36 3.39 -0.08 4.02 1.01 0.32 -0.95 120.40 128.47 2k4k s VAL 62 Ca 0.19 0.64 0.10 0.00 0.00 0.00 0.00 61.98 62.90 2k4k s VAL 62 Cb -0.14 -3.41 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 2k4k s VAL 62 CO 0.06 -0.03 0.08 -0.11 0.00 0.00 0.00 175.10 175.09 2k4k n LEU 63 N 6.47 0.00 -3.58 3.92 7.94 0.16 -1.21 117.00 130.71 2k4k n LEU 63 Ca 0.16 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.96 2k4k n LEU 63 Cb 0.42 0.20 -0.03 0.00 0.53 0.00 0.00 43.42 44.54 2k4k n LEU 63 CO 0.62 0.20 0.27 0.00 -1.11 0.00 0.00 177.39 177.38 2k4k s ALA 64 N -2.35 -1.18 0.01 1.96 0.00 -0.87 -4.85 121.76 114.47 2k4k s ALA 64 Ca -0.05 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.05 2k4k s ALA 64 Cb 0.04 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.94 2k4k s ALA 64 CO 0.43 -0.73 -0.06 0.08 0.00 0.00 0.00 175.76 175.48 2k4k s VAL 65 N -3.80 0.48 -0.41 0.00 1.01 -1.26 -1.07 120.40 115.35 2k4k s VAL 65 Ca 0.03 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.56 2k4k s VAL 65 Cb 0.00 -0.46 0.22 0.00 0.00 0.00 0.00 36.38 36.14 2k4k s VAL 65 CO -0.10 -0.04 0.46 -0.67 0.00 0.00 0.00 175.10 174.74 2k4k n ASP 66 N 2.44 0.05 0.25 3.32 2.03 0.09 -4.98 116.55 119.76 2k4k n ASP 66 Ca -0.16 -2.59 0.16 0.00 0.52 0.00 0.00 54.79 52.71 2k4k n ASP 66 Cb 0.57 -0.61 0.86 0.00 -0.72 0.00 0.00 41.12 41.22 2k4k n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 2k4k h GLU 67 N 4.64 0.00 0.00 -0.67 4.11 -1.92 0.32 114.58 121.07 2k4k h GLU 67 Ca 0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.56 2k4k h GLU 67 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 2k4k h GLU 67 CO 0.44 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 180.38 2k4k h GLU 68 N 0.00 0.00 0.00 1.06 4.39 -1.94 -3.08 114.58 115.01 2k4k h GLU 68 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k4k h GLU 68 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k4k h GLU 68 CO 0.00 0.07 0.00 1.63 -1.16 0.00 0.00 179.01 179.55 2k4k n LYS 69 N -3.61 0.83 -2.69 2.33 4.76 -0.59 -5.02 118.16 114.17 2k4k n LYS 69 Ca -0.02 -0.22 -0.18 0.00 -2.87 0.00 0.00 58.31 55.02 2k4k n LYS 69 Cb 0.19 -0.66 0.02 0.00 -1.84 0.00 0.00 35.03 32.73 2k4k n LYS 69 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k4k n GLY 70 N 0.18 -0.31 3.95 0.72 0.00 -0.00 -5.03 105.19 104.71 2k4k n GLY 70 Ca 0.00 -0.08 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2k4k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 71 N -5.27 3.29 -0.01 1.61 1.02 -0.77 -4.85 119.74 114.76 2k4k s LYS 71 Ca 0.16 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.28 2k4k s LYS 71 Cb -0.07 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2k4k s LYS 71 CO 0.20 0.35 0.03 0.42 -0.92 0.00 0.00 175.35 175.44 2k4k s ILE 72 N -2.05 0.01 0.07 2.17 1.01 -1.26 -0.73 121.20 120.43 2k4k s ILE 72 Ca 0.36 -0.12 0.05 0.00 0.00 0.00 0.00 60.65 60.94 2k4k s ILE 72 Cb -0.09 -0.09 -0.04 0.00 0.01 0.00 0.00 42.46 42.25 2k4k s ILE 72 CO 0.29 -0.06 -0.04 -0.44 0.00 0.00 0.00 174.94 174.68 2k4k s SER 73 N -0.18 4.76 0.23 3.58 0.01 -0.24 -1.52 113.70 120.34 2k4k s SER 73 Ca -0.02 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.03 2k4k s SER 73 Cb -0.01 -1.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.09 2k4k s SER 73 CO -0.00 0.20 0.06 -0.76 0.41 0.00 0.00 173.24 173.15 2k4k s LEU 74 N -2.05 1.85 0.04 2.44 1.43 -0.31 -0.67 118.68 121.41 2k4k s LEU 74 Ca 0.22 -1.30 0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2k4k s LEU 74 Cb -0.11 -0.04 -0.03 0.00 0.03 0.00 0.00 46.19 46.04 2k4k s LEU 74 CO 0.14 -0.66 -0.06 -0.55 0.23 0.00 0.00 176.35 175.45 2k4k s SER 75 N -3.28 0.74 0.00 2.29 0.15 -0.12 -3.83 113.70 109.65 2k4k s SER 75 Ca 0.33 -0.61 0.00 0.00 0.70 0.00 0.00 55.95 56.37 2k4k s SER 75 Cb 0.07 0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 2k4k s SER 75 CO 0.10 -0.27 0.00 -0.38 1.20 0.00 0.00 173.24 173.89 2k4k n ILE 76 N 1.27 0.00 0.11 6.45 2.08 -0.10 -1.62 119.36 127.55 2k4k n ILE 76 Ca -0.22 0.00 0.16 0.00 0.56 0.00 0.00 62.75 63.25 2k4k n ILE 76 Cb 0.56 -0.65 0.69 0.00 -0.75 0.00 0.00 39.64 39.49 2k4k n ILE 76 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 2k4k h ARG 77 N 0.00 0.00 0.00 0.38 0.11 -0.90 0.12 114.38 114.09 2k4k h ARG 77 Ca 0.00 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.05 2k4k h ARG 77 Cb 0.70 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.78 2k4k h ARG 77 CO 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 179.97 179.95 2k4k h ALA 78 N 1.82 1.10 0.00 0.08 0.00 -1.82 -3.14 119.26 117.30 2k4k h ALA 78 Ca 0.15 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k4k h ALA 78 Cb 0.62 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k4k h ALA 78 CO -0.00 0.15 -1.09 0.25 0.00 0.00 0.00 179.25 178.56 2k4k n THR 79 N -3.38 0.00 -2.48 0.00 -2.24 -0.16 -4.68 114.28 101.34 2k4k n THR 79 Ca -0.01 -0.05 -0.18 0.00 -2.27 0.00 0.00 64.05 61.55 2k4k n THR 79 Cb 0.31 0.45 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 2k4k n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k4k n GLN 80 N -1.57 2.65 0.11 -0.78 6.02 0.24 -4.88 117.38 119.17 2k4k n GLN 80 Ca -0.00 -3.97 0.10 0.00 -0.01 0.00 0.00 57.00 53.11 2k4k n GLN 80 Cb 0.05 -1.91 0.45 0.00 1.02 0.00 0.00 30.24 29.86 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k4k n ALA 81 N -0.44 1.35 -1.49 -1.58 0.00 -1.19 -4.79 120.51 112.36 2k4k n ALA 81 Ca 0.28 0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.46 2k4k n ALA 81 Cb 0.79 -1.30 0.07 0.00 0.00 0.00 0.00 19.45 19.01 2k4k n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k4k n ALA 82 N -1.72 -0.23 -0.85 0.00 0.00 -1.26 -4.99 120.51 111.46 2k4k n ALA 82 Ca 0.01 -0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 2k4k n ALA 82 Cb 0.12 -2.07 0.16 0.00 0.00 0.00 0.00 19.45 17.67 2k4k n ALA 82 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k4k s PRO 83 N -2.92 0.93 0.52 0.00 0.04 -1.26 -4.92 135.00 127.39 2k4k s PRO 83 Ca 0.74 1.25 0.34 0.00 0.04 0.00 0.00 61.00 63.37 2k4k s PRO 83 Cb -0.39 -1.74 1.56 0.00 0.04 0.00 0.00 34.50 33.98 2k4k s PRO 83 CO 0.49 -2.59 2.02 0.93 0.04 0.00 0.00 177.00 177.89 2k4k h GLU 84 N -1.83 0.00 -3.91 4.56 5.08 -1.96 -3.44 114.58 113.09 2k4k h GLU 84 Ca -0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 2k4k h GLU 84 Cb 1.28 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.39 2k4k h GLU 84 CO 0.47 0.00 -0.38 -1.59 -1.00 0.00 0.00 179.01 176.51 2k4k s LYS 85 N -3.72 1.00 0.08 2.33 -2.85 -1.26 -5.12 119.74 110.20 2k4k s LYS 85 Ca -0.00 -1.11 -0.31 0.00 -1.00 0.00 0.00 55.97 53.55 2k4k s LYS 85 Cb 0.10 0.35 -0.09 0.00 -2.06 0.00 0.00 37.83 36.12 2k4k s LYS 85 CO 0.46 -0.34 1.81 0.15 0.10 0.00 0.00 175.35 177.54 2k4k s LYS 86 N -3.93 4.15 0.13 1.78 1.02 -1.26 -4.88 119.74 116.75 2k4k s LYS 86 Ca 0.13 2.52 0.26 0.00 0.02 0.00 0.00 55.97 58.90 2k4k s LYS 86 Cb 0.04 -3.74 0.75 0.00 -0.52 0.00 0.00 37.83 34.36 2k4k s LYS 86 CO -0.04 -0.85 1.66 0.39 -0.92 0.00 0.00 175.35 175.59 2k4k n GLU 87 N 6.16 0.20 -1.36 1.68 -0.58 -1.26 -4.91 120.64 120.57 2k4k n GLU 87 Ca 0.18 0.12 -0.35 0.00 -0.42 0.00 0.00 57.16 56.69 2k4k n GLU 87 Cb 0.40 -1.69 0.09 0.00 -0.57 0.00 0.00 31.44 29.67 2k4k n GLU 87 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2k4k n SER 88 N -2.02 0.90 -4.73 1.62 7.64 -1.26 -4.99 113.62 110.78 2k4k n SER 88 Ca 0.05 0.68 -0.37 0.00 1.01 0.00 0.00 58.87 60.24 2k4k n SER 88 Cb 0.41 -1.46 0.07 0.00 -1.01 0.00 0.00 64.21 62.22 2k4k n SER 88 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4k s LYS 89 N -3.53 2.54 0.95 1.43 -0.14 -1.26 -5.01 119.74 114.72 2k4k s LYS 89 Ca 0.75 2.05 -0.12 0.00 -1.36 0.00 0.00 55.97 57.29 2k4k s LYS 89 Cb -0.34 -1.85 0.16 0.00 -1.68 0.00 0.00 37.83 34.13 2k4k s LYS 89 CO 0.49 -1.60 1.09 -1.25 -0.76 0.00 0.00 175.35 173.31 2k4k s PRO 90 N -3.40 0.79 1.08 -1.68 0.04 -1.26 -5.04 135.00 125.53 2k4k s PRO 90 Ca 0.82 0.82 -0.12 0.00 0.04 0.00 0.00 61.00 62.57 2k4k s PRO 90 Cb -0.37 -1.75 0.24 0.00 0.04 0.00 0.00 34.50 32.65 2k4k s PRO 90 CO 0.40 -2.57 1.07 -0.98 0.04 0.00 0.00 177.00 174.96 2k4k s ARG 91 N -4.85 -0.28 0.55 4.56 1.70 -1.26 -5.00 118.95 114.37 2k4k s ARG 91 Ca 0.65 1.06 -0.21 0.00 -0.47 0.00 0.00 55.73 56.76 2k4k s ARG 91 Cb -0.19 -1.61 -0.05 0.00 -0.57 0.00 0.00 34.95 32.52 2k4k s ARG 91 CO 0.58 -3.36 1.27 1.63 -1.08 0.00 0.00 175.30 174.35 2k4k n LYS 92 N -4.69 1.53 -1.23 3.89 4.76 -1.26 -5.00 118.16 116.16 2k4k n LYS 92 Ca 0.06 0.56 -0.29 0.00 -2.87 0.00 0.00 58.31 55.77 2k4k n LYS 92 Cb 0.54 -2.47 0.15 0.00 -1.84 0.00 0.00 35.03 31.40 2k4k n LYS 92 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2k4k s PRO 93 N -2.82 0.98 -0.00 1.97 0.04 -1.26 -5.10 135.00 128.81 2k4k s PRO 93 Ca 0.72 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 62.36 2k4k s PRO 93 Cb -0.43 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.33 2k4k s PRO 93 CO 0.49 -2.40 0.14 0.21 0.04 0.00 0.00 177.00 175.48 2k4k s LYS 94 N -4.98 0.46 0.21 4.56 2.20 -1.26 -5.11 119.74 115.83 2k4k s LYS 94 Ca 0.64 -0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 55.81 2k4k s LYS 94 Cb -0.18 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.32 2k4k s LYS 94 CO 0.57 -0.11 0.33 0.00 -0.36 0.00 0.00 175.35 175.78 2k4k s ALA 95 N -1.26 0.20 0.24 3.13 0.00 -1.26 -5.03 121.76 117.77 2k4k s ALA 95 Ca -0.14 -1.10 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 2k4k s ALA 95 Cb -0.07 1.10 0.43 0.00 0.00 0.00 0.00 23.12 24.58 2k4k s ALA 95 CO 0.01 -0.73 1.76 0.00 0.00 0.00 0.00 175.76 176.80 2k4k h ALA 96 N 2.43 1.09 0.00 0.00 0.00 -2.02 -0.27 119.26 120.48 2k4k h ALA 96 Ca -0.30 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k4k h ALA 96 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k4k h ALA 96 CO 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.57 2k4k n GLN 97 N -4.92 0.16 -0.33 0.00 0.00 -1.26 -2.53 117.38 108.51 2k4k n GLN 97 Ca 0.14 0.59 0.02 0.00 0.00 0.00 0.00 57.00 57.76 2k4k n GLN 97 Cb 0.37 -1.96 0.03 0.00 0.00 0.00 0.00 30.24 28.68 2k4k n GLN 97 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2k4k n VAL 98 N -2.29 0.49 -0.00 -0.39 0.24 -0.25 -4.86 118.33 111.28 2k4k n VAL 98 Ca -0.01 -0.58 -0.12 0.00 -2.04 0.00 0.00 64.34 61.59 2k4k n VAL 98 Cb 0.08 0.37 0.02 0.00 -1.47 0.00 0.00 33.84 32.84 2k4k n VAL 98 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2k4k h SER 99 N 0.00 0.69 -3.94 -1.34 0.02 -0.90 -3.43 113.55 104.64 2k4k h SER 99 Ca 0.00 -0.40 -0.52 0.00 -0.84 0.00 0.00 61.79 60.03 2k4k h SER 99 Cb 1.23 -0.20 0.07 0.00 0.14 0.00 0.00 62.40 63.64 2k4k h SER 99 CO 0.00 1.15 0.57 -0.70 -1.14 0.00 0.00 176.83 176.71 2k4k s GLU 100 N -3.88 4.00 0.27 3.45 2.12 -1.26 -5.05 118.70 118.35 2k4k s GLU 100 Ca -0.08 2.03 -0.08 0.00 0.36 0.00 0.00 54.97 57.21 2k4k s GLU 100 Cb 0.10 -2.73 -0.01 0.00 0.26 0.00 0.00 34.13 31.76 2k4k s GLU 100 CO 0.86 -0.42 0.43 -1.83 -0.54 0.00 0.00 175.26 173.75 2k4k s GLU 101 N -2.25 1.63 0.00 4.30 -1.05 -1.26 -5.13 118.70 114.94 2k4k s GLU 101 Ca 0.57 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 2k4k s GLU 101 Cb -0.35 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 33.77 2k4k s GLU 101 CO 0.45 -0.66 0.00 0.00 0.95 0.00 0.00 175.26 176.00 2k4k n ALA 102 N -0.43 0.00 -1.52 -0.84 0.00 -1.26 -5.13 120.51 111.33 2k4k n ALA 102 Ca -0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 2k4k n ALA 102 Cb 0.62 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.06 2k4k n ALA 102 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2k4k n SER 103 N 0.00 0.21 -4.74 0.00 7.64 -1.26 -4.93 113.62 110.54 2k4k n SER 103 Ca 0.00 1.09 -0.34 0.00 1.01 0.00 0.00 58.87 60.64 2k4k n SER 103 Cb 0.00 -1.18 0.08 0.00 -1.01 0.00 0.00 64.21 62.10 2k4k n SER 103 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k4k s THR 104 N -1.16 2.62 0.17 0.44 -4.23 -1.26 -4.96 115.64 107.25 2k4k s THR 104 Ca 0.61 0.30 -0.07 0.00 -1.18 0.00 0.00 61.69 61.35 2k4k s THR 104 Cb -0.72 -2.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.24 2k4k s THR 104 CO 0.59 -0.17 1.48 1.55 -0.54 0.00 0.00 174.62 177.53 2k4k h PRO 105 N -0.23 0.75 -7.38 3.99 0.13 -2.02 -3.44 132.00 123.80 2k4k h PRO 105 Ca -0.47 -0.44 -0.50 0.00 -0.87 0.00 0.00 66.00 63.73 2k4k h PRO 105 Cb 1.28 0.04 0.11 0.00 0.13 0.00 0.00 31.00 32.55 2k4k h PRO 105 CO 0.51 1.06 0.34 -0.65 -0.23 0.00 0.00 178.00 179.03 2k4k s GLN 106 N -4.18 2.27 0.00 0.86 -0.21 -1.26 -4.96 119.66 112.19 2k4k s GLN 106 Ca -0.09 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.07 2k4k s GLN 106 Cb 0.11 -1.93 0.00 0.00 1.00 0.00 0.00 33.01 32.19 2k4k s GLN 106 CO 0.86 -1.52 0.89 0.41 -2.12 0.00 0.00 175.29 173.81 2k4k n GLY 107 N -1.93 1.84 0.15 3.09 0.00 -1.26 -4.00 105.19 103.08 2k4k n GLY 107 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 2k4k n GLY 107 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2k4k h PHE 108 N 0.10 0.43 -3.63 1.61 3.57 -1.92 -3.42 116.94 113.67 2k4k h PHE 108 Ca 0.00 -0.02 -0.56 0.00 3.53 0.00 0.00 57.97 60.93 2k4k h PHE 108 Cb 0.89 -0.14 0.12 0.00 2.79 0.00 0.00 35.95 39.61 2k4k h PHE 108 CO 0.00 0.37 0.59 -1.71 -2.23 0.00 0.00 178.31 175.32 2k4k n ASN 109 N -4.79 2.99 0.00 0.41 5.15 -1.26 -4.95 115.26 112.81 2k4k n ASN 109 Ca -0.02 1.16 0.00 0.00 -0.60 0.00 0.00 54.58 55.12 2k4k n ASN 109 Cb 0.09 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.80 2k4k n ASN 109 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2k4k n THR 110 N 0.06 0.00 -2.10 -0.44 -2.24 -1.26 -5.00 114.28 103.30 2k4k n THR 110 Ca 0.05 -0.48 -0.42 0.00 -2.27 0.00 0.00 64.05 60.92 2k4k n THR 110 Cb 0.39 1.01 -0.03 0.00 -2.10 0.00 0.00 70.33 69.60 2k4k n THR 110 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2k4k s LEU 111 N -1.25 4.32 1.08 3.22 1.43 -1.26 -5.01 118.68 121.20 2k4k s LEU 111 Ca 0.00 2.19 -0.13 0.00 -1.03 0.00 0.00 54.13 55.16 2k4k s LEU 111 Cb 0.00 -3.55 0.24 0.00 0.03 0.00 0.00 46.19 42.91 2k4k s LEU 111 CO 0.00 -0.84 1.07 -1.59 0.23 0.00 0.00 176.35 175.22 2k4k s LYS 112 N 3.18 -0.25 0.14 1.70 -2.85 -1.26 -5.10 119.74 115.30 2k4k s LYS 112 Ca 0.69 0.58 -0.12 0.00 -1.00 0.00 0.00 55.97 56.12 2k4k s LYS 112 Cb -0.33 -1.65 0.01 0.00 -2.06 0.00 0.00 37.83 33.80 2k4k s LYS 112 CO 0.28 -3.21 0.32 0.34 0.10 0.00 0.00 175.35 173.18 2k4k s ASP 113 N -3.12 -0.04 0.69 0.03 2.15 -1.26 -5.16 116.67 109.96 2k4k s ASP 113 Ca 0.67 -0.65 -0.17 0.00 0.43 0.00 0.00 52.55 52.83 2k4k s ASP 113 Cb -0.21 0.44 0.01 0.00 -0.30 0.00 0.00 42.92 42.87 2k4k s ASP 113 CO 0.60 -0.87 1.27 0.29 -0.17 0.00 0.00 175.17 176.30 2k4k n LYS 114 N -0.20 0.87 -1.89 4.34 4.01 -1.26 -4.95 118.16 119.08 2k4k n LYS 114 Ca -0.11 0.36 -0.40 0.00 -0.51 0.00 0.00 58.31 57.65 2k4k n LYS 114 Cb 0.63 -2.51 0.00 0.00 -0.51 0.00 0.00 35.03 32.64 2k4k n LYS 114 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 2k4k s LEU 115 N -4.71 4.24 -0.09 -0.35 2.96 -1.26 -4.86 118.68 114.61 2k4k s LEU 115 Ca 0.80 2.88 -0.05 0.00 -0.22 0.00 0.00 54.13 57.55 2k4k s LEU 115 Cb -0.36 -3.81 -0.19 0.00 0.50 0.00 0.00 46.19 42.33 2k4k s LEU 115 CO 0.43 -0.94 2.82 -0.62 -1.32 0.00 0.00 176.35 176.72 2k4k n GLU 116 N 0.20 1.60 0.00 1.98 1.02 -1.26 -2.11 120.64 122.07 2k4k n GLU 116 Ca 0.03 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.34 2k4k n GLU 116 Cb 0.41 -1.93 0.00 0.00 -0.02 0.00 0.00 31.44 29.90 2k4k n GLU 116 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k4k n GLU 117 N 2.72 0.00 -0.02 3.49 2.13 -1.26 -4.80 120.64 122.90 2k4k n GLU 117 Ca 0.34 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.10 2k4k n GLU 117 Cb 0.65 -0.44 0.14 0.00 0.27 0.00 0.00 31.44 32.06 2k4k n GLU 117 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 2k4k h TRP 118 N 0.00 0.67 -1.86 4.31 2.91 -1.80 -3.46 115.95 116.71 2k4k h TRP 118 Ca 0.00 -0.16 0.00 0.00 1.13 0.00 0.00 58.89 59.86 2k4k h TRP 118 Cb 0.03 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.53 2k4k h TRP 118 CO 0.00 0.82 0.00 0.44 -1.03 0.00 0.00 178.44 178.67 2k4k n ILE 119 N -4.08 0.00 -4.01 2.65 -5.35 -0.93 -5.07 119.36 102.57 2k4k n ILE 119 Ca -0.01 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.39 2k4k n ILE 119 Cb 0.46 0.00 -0.10 0.00 -1.74 0.00 0.00 39.64 38.26 2k4k n ILE 119 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 2k4k s GLU 120 N -0.45 0.60 0.00 6.28 -1.05 -1.26 -4.19 118.70 118.62 2k4k s GLU 120 Ca 0.00 -1.00 0.00 0.00 -0.15 0.00 0.00 54.97 53.82 2k4k s GLU 120 Cb 0.00 0.22 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 2k4k s GLU 120 CO 0.00 -0.13 0.00 -0.12 0.95 0.00 0.00 175.26 175.96 2k4k n MET 121 N 0.42 0.00 -0.09 -4.83 1.56 -1.26 -4.85 117.12 108.07 2k4k n MET 121 Ca -0.17 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.20 2k4k n MET 121 Cb 0.60 -0.30 0.00 0.00 2.15 0.00 0.00 33.22 35.67 2k4k n MET 121 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 2k4k h SER 122 N 0.00 -0.61 -0.30 6.12 4.64 -1.97 0.15 113.55 121.58 2k4k h SER 122 Ca 0.00 0.14 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 2k4k h SER 122 Cb 0.00 0.32 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 2k4k h SER 122 CO 0.00 -0.22 0.17 -1.13 -0.87 0.00 0.00 176.83 174.79 2k4k h ASN 123 N -0.13 0.28 -0.71 4.97 -1.24 -1.93 -0.70 115.58 116.12 2k4k h ASN 123 Ca 0.17 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.15 2k4k h ASN 123 Cb 0.39 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 39.36 2k4k h ASN 123 CO -0.42 0.20 0.31 0.03 -1.29 0.00 0.00 177.43 176.26 2k4k h ARG 124 N 0.35 1.04 0.00 6.67 3.08 -1.70 -1.89 114.38 121.94 2k4k h ARG 124 Ca 0.12 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2k4k h ARG 124 Cb -0.00 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.87 2k4k h ARG 124 CO -0.05 0.84 0.00 1.17 -1.07 0.00 0.00 179.97 180.86 2k4k n LYS 125 N -4.39 0.04 -3.87 0.04 4.81 0.45 -4.93 118.16 110.32 2k4k n LYS 125 Ca 0.06 0.14 -0.28 0.00 -0.87 0.00 0.00 58.31 57.35 2k4k n LYS 125 Cb 0.16 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.71 2k4k n LYS 125 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k4k n ASP 126 N -1.47 -2.10 -4.02 3.14 2.03 -0.60 -5.01 116.55 108.52 2k4k n ASP 126 Ca 0.06 -1.02 -0.19 0.00 0.52 0.00 0.00 54.79 54.16 2k4k n ASP 126 Cb 0.23 -3.11 -0.15 0.00 -0.72 0.00 0.00 41.12 37.37 2k4k n ASP 126 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2k4k s LEU 127 N -6.83 1.97 -0.04 -2.67 2.96 -0.37 -5.04 118.68 108.65 2k4k s LEU 127 Ca 0.18 -0.17 -0.12 0.00 -0.22 0.00 0.00 54.13 53.80 2k4k s LEU 127 Cb -0.07 -0.48 0.02 0.00 0.50 0.00 0.00 46.19 46.17 2k4k s LEU 127 CO 0.88 0.10 0.27 -0.51 -1.32 0.00 0.00 176.35 175.77 2k4k s ILE 128 N -0.12 0.04 -0.04 6.68 1.10 -1.26 -4.34 121.20 123.26 2k4k s ILE 128 Ca 0.02 -0.36 0.08 0.00 -0.51 0.00 0.00 60.65 59.88 2k4k s ILE 128 Cb -0.05 -0.51 0.14 0.00 0.15 0.00 0.00 42.46 42.19 2k4k s ILE 128 CO -0.00 -0.20 1.07 0.29 -2.11 0.00 0.00 174.94 173.99 2k4k n LYS 129 N 1.86 0.38 0.00 3.50 5.02 -1.26 -5.21 118.16 122.45 2k4k n LYS 129 Ca -0.19 -1.60 0.00 0.00 -2.02 0.00 0.00 58.31 54.50 2k4k n LYS 129 Cb 0.57 -0.74 0.00 0.00 -0.02 0.00 0.00 35.03 34.84 2k4k n LYS 129 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51