#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 1.51 0.17 -5.12 0.00 -1.14 -4.68 121.76 112.50 2k4k s ALA 2 Ca 0.00 -1.90 -0.01 0.00 0.00 0.00 0.00 51.96 50.05 2k4k s ALA 2 Cb 0.00 1.37 -0.04 0.00 0.00 0.00 0.00 23.12 24.45 2k4k s ALA 2 CO 0.00 -0.71 0.10 0.00 0.00 0.00 0.00 175.76 175.15 2k4k s ALA 3 N -3.29 1.04 -0.04 0.00 0.00 -1.26 -4.53 121.76 113.67 2k4k s ALA 3 Ca 0.37 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 50.79 2k4k s ALA 3 Cb 0.01 1.17 0.08 0.00 0.00 0.00 0.00 23.12 24.39 2k4k s ALA 3 CO 0.25 -0.55 0.94 1.63 0.00 0.00 0.00 175.76 178.04 2k4k n LYS 4 N -0.20 1.12 -4.27 0.00 5.02 -1.26 -5.06 118.16 113.51 2k4k n LYS 4 Ca -0.01 -1.48 -0.15 0.00 -2.02 0.00 0.00 58.31 54.65 2k4k n LYS 4 Cb 0.65 -0.92 -0.10 0.00 -0.02 0.00 0.00 35.03 34.64 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2k4k s PHE 5 N -1.09 1.38 0.01 2.13 0.40 -1.26 -5.18 117.98 114.37 2k4k s PHE 5 Ca 0.09 -1.28 -0.00 0.00 -0.60 0.00 0.00 56.93 55.14 2k4k s PHE 5 Cb 0.08 -0.75 -0.01 0.00 0.51 0.00 0.00 43.02 42.85 2k4k s PHE 5 CO 0.01 -0.48 -0.02 -1.21 0.70 0.00 0.00 175.22 174.22 2k4k s GLU 6 N -4.08 0.18 0.39 0.44 0.41 -1.26 -5.03 118.70 109.76 2k4k s GLU 6 Ca 0.38 -0.35 -0.26 0.00 -0.41 0.00 0.00 54.97 54.34 2k4k s GLU 6 Cb 0.07 0.06 -0.11 0.00 -1.78 0.00 0.00 34.13 32.38 2k4k s GLU 6 CO 0.13 -0.03 1.20 1.33 -0.49 0.00 0.00 175.26 177.41 2k4k n VAL 7 N 2.24 2.36 0.00 2.63 0.24 -1.26 -2.50 118.33 122.03 2k4k n VAL 7 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 2k4k n VAL 7 Cb 0.57 -1.44 0.00 0.00 -1.47 0.00 0.00 33.84 31.50 2k4k n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4k n GLY 8 N 0.91 2.57 3.64 7.63 0.00 -0.23 -5.02 105.19 114.68 2k4k n GLY 8 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 -3.03 2.53 -0.03 1.61 0.01 -1.04 -4.77 113.70 108.97 2k4k s SER 9 Ca 0.00 1.61 -0.01 0.00 1.31 0.00 0.00 55.95 58.87 2k4k s SER 9 Cb 0.00 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.99 2k4k s SER 9 CO 0.00 -3.25 0.03 -0.69 0.41 0.00 0.00 173.24 169.75 2k4k s VAL 10 N -2.74 -0.03 0.34 3.43 1.01 -1.26 -0.65 120.40 120.50 2k4k s VAL 10 Ca 0.66 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.97 2k4k s VAL 10 Cb -0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 36.38 36.01 2k4k s VAL 10 CO 0.60 0.12 0.31 -0.31 0.00 0.00 0.00 175.10 175.82 2k4k s TYR 11 N 1.38 1.76 0.03 5.22 2.02 -0.65 -5.00 117.35 122.11 2k4k s TYR 11 Ca -0.05 -1.66 0.08 0.00 -0.37 0.00 0.00 57.07 55.07 2k4k s TYR 11 Cb -0.13 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.73 2k4k s TYR 11 CO -0.03 -0.91 -0.24 0.99 -1.57 0.00 0.00 175.55 173.79 2k4k s THR 12 N -3.35 1.92 0.34 -0.71 2.01 -1.26 -0.57 115.64 114.02 2k4k s THR 12 Ca 0.40 -1.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.08 2k4k s THR 12 Cb 0.02 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 70.92 2k4k s THR 12 CO 0.28 0.35 0.60 0.61 -0.69 0.00 0.00 174.62 175.77 2k4k n GLY 13 N 1.96 1.58 3.25 4.40 0.00 -0.28 -4.83 105.19 111.27 2k4k n GLY 13 Ca -0.17 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2k4k n GLY 13 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4k s LYS 14 N -2.38 2.26 0.02 1.61 1.02 -0.22 -0.93 119.74 121.11 2k4k s LYS 14 Ca 0.20 -0.84 -0.30 0.00 0.02 0.00 0.00 55.97 55.05 2k4k s LYS 14 Cb -0.03 -1.98 -0.06 0.00 -0.52 0.00 0.00 37.83 35.25 2k4k s LYS 14 CO 0.15 0.39 1.34 0.08 -0.92 0.00 0.00 175.35 176.38 2k4k s VAL 15 N -0.23 3.78 -0.38 3.17 1.01 0.04 -0.94 120.40 126.85 2k4k s VAL 15 Ca -0.00 1.20 0.05 0.00 0.00 0.00 0.00 61.98 63.23 2k4k s VAL 15 Cb -0.12 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 2k4k s VAL 15 CO 0.02 0.03 0.35 0.35 0.00 0.00 0.00 175.10 175.85 2k4k n THR 16 N 4.42 0.00 -3.61 3.92 -2.24 0.18 -0.93 114.28 116.01 2k4k n THR 16 Ca 0.12 -0.41 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 2k4k n THR 16 Cb 0.44 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 -1.22 -0.36 0.06 3.38 0.00 -1.20 -4.93 107.32 103.06 2k4k s GLY 17 Ca 0.03 1.01 0.05 0.00 0.00 0.00 0.00 44.72 45.81 2k4k s GLY 17 CO 0.17 0.28 -0.14 1.08 0.00 0.00 0.00 173.10 174.50 2k4k s LEU 18 N -2.65 2.25 0.07 0.66 1.43 -1.26 -1.15 118.68 118.03 2k4k s LEU 18 Ca 0.12 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.56 2k4k s LEU 18 Cb 0.02 -0.52 0.00 0.00 0.03 0.00 0.00 46.19 45.72 2k4k s LEU 18 CO -0.04 -0.05 0.19 -1.10 0.23 0.00 0.00 176.35 175.58 2k4k s GLN 19 N -1.56 0.79 0.00 1.70 -0.21 0.39 -4.99 119.66 115.79 2k4k s GLN 19 Ca -0.01 -0.84 0.06 0.00 0.02 0.00 0.00 55.36 54.58 2k4k s GLN 19 Cb -0.09 0.33 0.31 0.00 1.00 0.00 0.00 33.01 34.55 2k4k s GLN 19 CO 0.02 -0.25 0.92 0.00 -2.12 0.00 0.00 175.29 173.87 2k4k n ALA 20 N 0.19 1.57 -0.52 6.09 0.00 -1.26 -2.03 120.51 124.56 2k4k n ALA 20 Ca -0.16 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2k4k n ALA 20 Cb 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.15 0.00 0.00 0.00 4.11 -1.26 -4.96 117.16 113.90 2k4k n TYR 21 Ca 0.03 -0.15 0.00 0.00 -0.00 0.00 0.00 57.90 57.79 2k4k n TYR 21 Cb 0.03 -0.01 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 -0.15 -0.55 2.96 -7.48 0.00 -0.86 -0.82 105.19 98.28 2k4k n GLY 22 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 46.02 44.57 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 1.51 0.31 4.61 0.00 0.04 -0.46 121.76 125.77 2k4k s ALA 23 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 51.96 51.02 2k4k s ALA 23 Cb 0.00 -0.93 -0.09 0.00 0.00 0.00 0.00 23.12 22.09 2k4k s ALA 23 CO 0.00 -0.36 1.09 -0.06 0.00 0.00 0.00 175.76 176.43 2k4k s PHE 24 N 1.54 3.51 -0.16 0.00 0.08 -0.30 -0.81 117.98 121.84 2k4k s PHE 24 Ca 0.03 1.69 -0.04 0.00 0.12 0.00 0.00 56.93 58.74 2k4k s PHE 24 Cb -0.13 -3.25 0.06 0.00 -0.57 0.00 0.00 43.02 39.13 2k4k s PHE 24 CO -0.08 -0.56 0.06 0.08 -0.10 0.00 0.00 175.22 174.61 2k4k s VAL 25 N -1.27 0.22 0.38 -0.44 1.01 -0.20 -0.65 120.40 119.44 2k4k s VAL 25 Ca 0.47 -0.27 -0.26 0.00 0.00 0.00 0.00 61.98 61.92 2k4k s VAL 25 Cb -0.30 -0.74 -0.09 0.00 0.00 0.00 0.00 36.38 35.25 2k4k s VAL 25 CO 0.38 -0.17 1.24 0.00 0.00 0.00 0.00 175.10 176.55 2k4k s ALA 26 N 2.00 3.28 0.00 5.51 0.00 -0.12 -1.05 121.76 131.38 2k4k s ALA 26 Ca 0.01 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2k4k s ALA 26 Cb -0.16 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.52 2k4k s ALA 26 CO -0.08 -0.65 0.00 1.28 0.00 0.00 0.00 175.76 176.32 2k4k n LEU 27 N 0.30 0.64 -3.58 0.00 4.77 -0.14 -1.06 117.00 117.94 2k4k n LEU 27 Ca 0.03 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.90 2k4k n LEU 27 Cb 0.44 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2k4k n LEU 27 CO 0.55 0.11 0.35 -0.62 -1.33 0.00 0.00 177.39 176.44 2k4k s ASP 28 N -2.97 -0.41 0.33 -1.43 2.15 -0.84 -4.79 116.67 108.72 2k4k s ASP 28 Ca 0.00 -0.23 0.20 0.00 0.43 0.00 0.00 52.55 52.95 2k4k s ASP 28 Cb 0.00 0.59 1.09 0.00 -0.30 0.00 0.00 42.92 44.30 2k4k s ASP 28 CO 0.00 -1.02 1.59 -0.62 -0.17 0.00 0.00 175.17 174.95 2k4k n GLU 29 N -0.36 0.13 0.00 4.34 -0.58 -1.26 -1.62 120.64 121.29 2k4k n GLU 29 Ca -0.14 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.23 2k4k n GLU 29 Cb 0.63 -2.01 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 2k4k n GLU 29 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k4k n GLU 30 N -2.23 0.77 -3.84 3.49 1.02 -1.26 -5.09 120.64 113.50 2k4k n GLU 30 Ca -0.01 -0.74 -0.12 0.00 -0.02 0.00 0.00 57.16 56.27 2k4k n GLU 30 Cb 0.11 -0.77 -0.12 0.00 -0.02 0.00 0.00 31.44 30.64 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 -0.33 0.02 0.05 2.62 2.01 -0.64 -5.05 115.64 114.32 2k4k s THR 31 Ca 0.00 -0.13 -0.08 0.00 0.31 0.00 0.00 61.69 61.79 2k4k s THR 31 Cb 0.00 -0.23 -0.00 0.00 0.01 0.00 0.00 72.50 72.28 2k4k s THR 31 CO 0.00 -0.07 0.17 -1.58 -0.69 0.00 0.00 174.62 172.45 2k4k s GLN 32 N -0.19 0.71 0.24 4.92 0.74 -1.26 -0.97 119.66 123.86 2k4k s GLN 32 Ca -0.03 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.68 2k4k s GLN 32 Cb -0.02 0.29 -0.02 0.00 1.10 0.00 0.00 33.01 34.36 2k4k s GLN 32 CO 0.00 -0.21 0.21 0.41 -0.55 0.00 0.00 175.29 175.15 2k4k n GLY 33 N 0.48 3.20 2.79 2.59 0.00 -0.21 -3.75 105.19 110.29 2k4k n GLY 33 Ca -0.18 -1.83 -0.27 0.00 0.00 0.00 0.00 46.02 43.75 2k4k n GLY 33 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k4k s LEU 34 N 0.00 1.22 -0.12 0.99 2.96 -0.34 -1.04 118.68 122.35 2k4k s LEU 34 Ca 0.29 -0.65 -0.29 0.00 -0.22 0.00 0.00 54.13 53.26 2k4k s LEU 34 Cb 0.01 -0.66 -0.03 0.00 0.50 0.00 0.00 46.19 46.01 2k4k s LEU 34 CO 0.20 -0.25 1.49 -0.69 -1.32 0.00 0.00 176.35 175.78 2k4k s VAL 35 N 1.81 3.88 0.49 1.68 1.01 0.01 -1.09 120.40 128.19 2k4k s VAL 35 Ca 0.00 1.06 -0.20 0.00 0.00 0.00 0.00 61.98 62.84 2k4k s VAL 35 Cb -0.16 -3.71 -0.08 0.00 0.00 0.00 0.00 36.38 32.43 2k4k s VAL 35 CO -0.07 -0.13 1.05 -2.28 0.00 0.00 0.00 175.10 173.67 2k4k s HIS 36 N 3.96 2.97 0.44 5.22 2.46 -1.25 -0.78 115.29 128.31 2k4k s HIS 36 Ca 0.65 1.58 0.18 0.00 0.47 0.00 0.00 55.06 57.94 2k4k s HIS 36 Cb -0.27 -3.10 1.12 0.00 -0.13 0.00 0.00 32.58 30.19 2k4k s HIS 36 CO 0.23 -0.92 1.90 0.97 -2.47 0.00 0.00 174.74 174.46 2k4k h ILE 37 N 1.55 0.73 0.00 0.89 2.10 -1.32 0.73 117.51 122.19 2k4k h ILE 37 Ca -0.50 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.32 2k4k h ILE 37 Cb 1.23 0.35 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 2k4k h ILE 37 CO 0.59 0.06 0.00 -1.20 -1.08 0.00 0.00 178.15 176.52 2k4k n SER 38 N -4.47 0.00 0.00 2.19 7.64 -1.26 -2.59 113.62 115.13 2k4k n SER 38 Ca 0.16 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.53 2k4k n SER 38 Cb 0.62 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 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 -1.49 -0.71 -0.07 1.43 -0.58 0.24 -4.67 120.64 114.78 2k4k n GLU 39 Ca 0.01 -0.48 -0.10 0.00 -0.42 0.00 0.00 57.16 56.17 2k4k n GLU 39 Cb 0.07 -0.93 0.04 0.00 -0.57 0.00 0.00 31.44 30.04 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 0.14 1.28 -3.33 2.62 2.07 -1.38 0.24 116.25 117.91 2k4k h VAL 40 Ca 0.00 -1.56 -0.04 0.00 0.82 0.00 0.00 66.70 65.93 2k4k h VAL 40 Cb 0.09 1.44 -0.12 0.00 -1.52 0.00 0.00 31.29 31.19 2k4k h VAL 40 CO 0.00 0.51 -0.00 0.28 0.02 0.00 0.00 177.57 178.38 2k4k s THR 41 N -4.34 0.04 -0.85 2.57 -1.32 -1.26 -2.57 115.64 107.90 2k4k s THR 41 Ca -0.09 -0.63 -0.07 0.00 -1.21 0.00 0.00 61.69 59.69 2k4k s THR 41 Cb 0.12 -1.35 -0.12 0.00 -1.51 0.00 0.00 72.50 69.64 2k4k s THR 41 CO 0.86 -0.19 2.67 1.41 -2.21 0.00 0.00 174.62 177.16 2k4k n HIS 42 N -0.29 1.27 -4.04 9.09 -0.00 -1.26 -4.82 115.22 115.16 2k4k n HIS 42 Ca -0.13 -2.08 0.04 0.00 -0.00 0.00 0.00 57.72 55.55 2k4k n HIS 42 Cb 0.63 -1.84 0.01 0.00 -0.00 0.00 0.00 29.99 28.80 2k4k n HIS 42 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.34 176.54 2k4k s GLY 43 N 2.60 -0.19 0.96 -1.41 0.00 -1.26 -5.16 107.32 102.86 2k4k s GLY 43 Ca 0.54 0.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.27 2k4k s GLY 43 CO -0.03 6.77 1.13 -0.12 0.00 0.00 0.00 173.10 180.85 2k4k s PHE 44 N -2.00 1.54 -0.22 1.90 5.36 -1.26 -4.99 117.98 118.31 2k4k s PHE 44 Ca 0.32 1.71 0.02 0.00 -0.96 0.00 0.00 56.93 58.02 2k4k s PHE 44 Cb -0.00 -3.31 0.05 0.00 -0.34 0.00 0.00 43.02 39.41 2k4k s PHE 44 CO -0.02 -3.02 -0.12 0.08 -1.46 0.00 0.00 175.22 170.68 2k4k s VAL 45 N -2.61 1.92 0.11 3.12 1.01 -1.26 -4.72 120.40 117.96 2k4k s VAL 45 Ca 0.67 -1.25 -0.26 0.00 0.00 0.00 0.00 61.98 61.14 2k4k s VAL 45 Cb -0.23 -1.97 -0.09 0.00 0.00 0.00 0.00 36.38 34.09 2k4k s VAL 45 CO 0.59 0.14 1.66 0.11 0.00 0.00 0.00 175.10 177.60 2k4k h LYS 46 N 7.89 -0.38 -2.02 2.72 1.79 -1.97 -3.44 116.57 121.16 2k4k h LYS 46 Ca -0.27 0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.19 2k4k h LYS 46 Cb 1.08 0.09 -0.21 0.00 -1.58 0.00 0.00 32.23 31.61 2k4k h LYS 46 CO 0.50 -0.25 0.11 0.34 -1.08 0.00 0.00 179.45 179.07 2k4k s ASP 47 N -4.87 -0.76 0.45 0.86 2.15 -1.26 -5.06 116.67 108.17 2k4k s ASP 47 Ca -0.15 1.44 0.15 0.00 0.43 0.00 0.00 52.55 54.42 2k4k s ASP 47 Cb 0.08 1.45 1.07 0.00 -0.30 0.00 0.00 42.92 45.21 2k4k s ASP 47 CO 0.65 -0.25 1.99 -0.29 -0.17 0.00 0.00 175.17 177.11 2k4k h ILE 48 N 4.11 0.89 0.00 4.11 2.10 -1.89 -0.09 117.51 126.74 2k4k h ILE 48 Ca -0.29 -0.12 0.00 0.00 1.08 0.00 0.00 64.86 65.53 2k4k h ILE 48 Cb 1.17 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 37.40 2k4k h ILE 48 CO 0.07 0.06 0.00 -0.46 -1.08 0.00 0.00 178.15 176.74 2k4k n ASN 49 N -4.46 0.29 0.23 2.19 0.23 -1.26 -1.11 115.26 111.36 2k4k n ASN 49 Ca 0.09 0.58 0.13 0.00 -0.53 0.00 0.00 54.58 54.85 2k4k n ASN 49 Cb 0.38 -0.64 0.39 0.00 -2.08 0.00 0.00 39.78 37.83 2k4k n ASN 49 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2k4k h GLU 50 N 0.00 0.00 0.00 -3.83 4.39 -1.31 -3.38 114.58 110.45 2k4k h GLU 50 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2k4k h GLU 50 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2k4k h GLU 50 CO 0.00 0.09 -1.32 0.72 -1.16 0.00 0.00 179.01 177.34 2k4k n HIS 51 N -3.16 0.00 -4.16 4.33 8.25 -0.40 -4.73 115.22 115.34 2k4k n HIS 51 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 2k4k n HIS 51 Cb 0.45 -0.20 -0.10 0.00 1.12 0.00 0.00 29.99 31.26 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 -3.92 1.54 -0.06 2.41 1.43 -0.27 -4.87 118.68 114.94 2k4k s LEU 52 Ca -0.02 -1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 51.78 2k4k s LEU 52 Cb 0.03 0.34 0.04 0.00 0.03 0.00 0.00 46.19 46.63 2k4k s LEU 52 CO 0.23 -0.77 0.12 -0.44 0.23 0.00 0.00 176.35 175.72 2k4k s SER 53 N -3.09 0.46 0.52 2.29 0.01 -1.26 -4.14 113.70 108.50 2k4k s SER 53 Ca 0.29 0.25 -0.22 0.00 1.31 0.00 0.00 55.95 57.58 2k4k s SER 53 Cb 0.07 0.14 -0.06 0.00 0.21 0.00 0.00 66.02 66.38 2k4k s SER 53 CO 0.05 -0.20 1.35 0.55 0.41 0.00 0.00 173.24 175.40 2k4k n VAL 54 N 4.84 3.56 -2.42 3.43 3.14 -1.26 -3.34 118.33 126.27 2k4k n VAL 54 Ca -0.14 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.62 2k4k n VAL 54 Cb 0.50 -1.66 0.01 0.00 -1.06 0.00 0.00 33.84 31.63 2k4k n VAL 54 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k4k n GLY 55 N 0.76 -0.03 3.36 7.55 0.00 -0.11 -4.99 105.19 111.73 2k4k n GLY 55 Ca 0.09 -0.36 -0.19 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.65 2.54 -0.15 1.61 2.15 -1.21 -4.94 116.67 114.01 2k4k s ASP 56 Ca 0.07 -1.08 -0.07 0.00 0.43 0.00 0.00 52.55 51.90 2k4k s ASP 56 Cb -0.03 -0.13 -0.04 0.00 -0.30 0.00 0.00 42.92 42.42 2k4k s ASP 56 CO 0.09 -0.25 0.10 -0.70 -0.17 0.00 0.00 175.17 174.24 2k4k s GLU 57 N -3.69 3.67 -0.04 4.34 2.12 -1.26 -0.78 118.70 123.07 2k4k s GLU 57 Ca 0.25 -0.23 -0.06 0.00 0.36 0.00 0.00 54.97 55.29 2k4k s GLU 57 Cb 0.01 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2k4k s GLU 57 CO 0.08 0.55 0.14 0.14 -0.54 0.00 0.00 175.26 175.64 2k4k s VAL 58 N -0.40 0.03 0.19 3.70 -7.23 -0.10 -4.99 120.40 111.59 2k4k s VAL 58 Ca 0.11 -0.25 -0.29 0.00 -1.81 0.00 0.00 61.98 59.74 2k4k s VAL 58 Cb -0.12 -0.29 -0.08 0.00 0.56 0.00 0.00 36.38 36.46 2k4k s VAL 58 CO 0.02 -0.13 0.93 -1.58 -0.31 0.00 0.00 175.10 174.02 2k4k s GLN 59 N -0.43 4.77 0.04 4.82 0.74 -1.26 -1.13 119.66 127.21 2k4k s GLN 59 Ca -0.05 1.44 0.04 0.00 0.05 0.00 0.00 55.36 56.83 2k4k s GLN 59 Cb -0.03 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 2k4k s GLN 59 CO 0.01 0.42 -0.11 0.14 -0.55 0.00 0.00 175.29 175.20 2k4k s VAL 60 N -0.77 0.85 -0.11 1.34 -7.23 0.27 -4.77 120.40 109.98 2k4k s VAL 60 Ca 0.42 -0.92 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 2k4k s VAL 60 Cb -0.25 -0.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 2k4k s VAL 60 CO 0.31 -0.10 0.33 -0.75 -0.31 0.00 0.00 175.10 174.57 2k4k s LYS 61 N -1.15 4.07 -0.21 4.82 2.20 -0.68 -1.64 119.74 127.15 2k4k s LYS 61 Ca -0.02 0.19 -0.29 0.00 -0.36 0.00 0.00 55.97 55.50 2k4k s LYS 61 Cb -0.08 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2k4k s LYS 61 CO 0.01 0.42 1.79 0.08 -0.36 0.00 0.00 175.35 177.29 2k4k s VAL 62 N -0.13 3.46 -0.13 4.02 1.01 0.17 -1.36 120.40 127.45 2k4k s VAL 62 Ca 0.19 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2k4k s VAL 62 Cb -0.14 -3.51 -0.25 0.00 0.00 0.00 0.00 36.38 32.48 2k4k s VAL 62 CO 0.07 -0.24 0.34 -0.11 0.00 0.00 0.00 175.10 175.16 2k4k n LEU 63 N 9.24 2.50 -3.74 3.92 7.94 -0.05 -1.07 117.00 135.74 2k4k n LEU 63 Ca 0.21 0.25 -0.09 0.00 -1.11 0.00 0.00 56.01 55.28 2k4k n LEU 63 Cb 0.45 -1.10 -0.03 0.00 0.53 0.00 0.00 43.42 43.28 2k4k n LEU 63 CO 0.66 0.75 0.37 0.00 -1.11 0.00 0.00 177.39 178.06 2k4k s ALA 64 N -2.52 -1.13 -0.01 1.96 0.00 -1.07 -4.70 121.76 114.28 2k4k s ALA 64 Ca -0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 2k4k s ALA 64 Cb 0.06 0.88 0.00 0.00 0.00 0.00 0.00 23.12 24.06 2k4k s ALA 64 CO 0.74 -0.89 0.13 0.54 0.00 0.00 0.00 175.76 176.28 2k4k s VAL 65 N -3.88 0.06 -0.28 0.00 0.11 -1.26 -0.92 120.40 114.23 2k4k s VAL 65 Ca 0.09 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 2k4k s VAL 65 Cb -0.03 -0.36 0.09 0.00 -1.53 0.00 0.00 36.38 34.56 2k4k s VAL 65 CO -0.00 -0.28 0.10 -0.62 -3.33 0.00 0.00 175.10 170.97 2k4k s ASP 66 N -0.96 3.63 0.11 3.54 -1.08 -0.31 -5.00 116.67 116.60 2k4k s ASP 66 Ca -0.11 -1.35 0.26 0.00 -0.52 0.00 0.00 52.55 50.83 2k4k s ASP 66 Cb -0.06 -0.63 0.97 0.00 -1.46 0.00 0.00 42.92 41.75 2k4k s ASP 66 CO 0.01 -0.40 1.79 -1.84 0.52 0.00 0.00 175.17 175.25 2k4k n GLU 67 N 5.03 0.12 0.00 4.34 0.28 -1.26 -0.68 120.64 128.47 2k4k n GLU 67 Ca -0.05 0.16 -0.17 0.00 -0.16 0.00 0.00 57.16 56.94 2k4k n GLU 67 Cb 0.43 -1.66 -0.12 0.00 1.43 0.00 0.00 31.44 31.53 2k4k n GLU 67 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2k4k h GLU 68 N 0.00 0.34 0.00 3.44 5.08 -1.89 -2.94 114.58 118.61 2k4k h GLU 68 Ca 0.00 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2k4k h GLU 68 Cb 0.54 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k4k h GLU 68 CO 0.00 1.08 -0.17 0.87 -1.00 0.00 0.00 179.01 179.79 2k4k h LYS 69 N -0.23 0.00 -4.38 2.33 1.57 -1.95 -3.44 116.57 110.47 2k4k h LYS 69 Ca -0.07 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.45 2k4k h LYS 69 Cb 1.28 0.00 0.10 0.00 0.08 0.00 0.00 32.23 33.69 2k4k h LYS 69 CO 0.11 0.17 -0.49 0.41 -0.57 0.00 0.00 179.45 179.08 2k4k n GLY 70 N -0.38 -0.09 3.17 3.86 0.00 0.14 -5.04 105.19 106.86 2k4k n GLY 70 Ca -0.01 -0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 2k4k n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4k s LYS 71 N -5.60 0.89 -0.01 1.61 0.00 -0.18 -4.87 119.74 111.59 2k4k s LYS 71 Ca 0.28 -1.39 0.02 0.00 0.00 0.00 0.00 55.97 54.88 2k4k s LYS 71 Cb -0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 37.83 37.61 2k4k s LYS 71 CO 0.50 -0.10 -0.08 0.42 0.00 0.00 0.00 175.35 176.09 2k4k s ILE 72 N -3.74 0.67 0.06 3.79 1.01 -1.25 -1.16 121.20 120.57 2k4k s ILE 72 Ca 0.16 -0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 2k4k s ILE 72 Cb 0.06 -0.58 -0.05 0.00 0.01 0.00 0.00 42.46 41.90 2k4k s ILE 72 CO -0.02 0.20 0.32 -0.44 0.00 0.00 0.00 174.94 175.00 2k4k s SER 73 N -0.03 6.53 0.22 3.58 0.01 -0.10 -1.20 113.70 122.71 2k4k s SER 73 Ca 0.01 0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.91 2k4k s SER 73 Cb -0.05 -2.11 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 2k4k s SER 73 CO -0.00 0.19 0.02 -0.76 0.41 0.00 0.00 173.24 173.10 2k4k s LEU 74 N -2.00 2.05 0.05 2.44 1.43 -0.25 -0.87 118.68 121.53 2k4k s LEU 74 Ca 0.32 -1.25 0.03 0.00 -1.03 0.00 0.00 54.13 52.20 2k4k s LEU 74 Cb -0.13 -0.15 -0.03 0.00 0.03 0.00 0.00 46.19 45.91 2k4k s LEU 74 CO 0.19 -0.58 -0.09 -0.44 0.23 0.00 0.00 176.35 175.66 2k4k s SER 75 N -3.27 0.98 -0.01 2.29 0.01 -0.46 -3.74 113.70 109.48 2k4k s SER 75 Ca 0.29 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2k4k s SER 75 Cb 0.06 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 2k4k s SER 75 CO 0.09 -0.19 0.03 -0.38 0.41 0.00 0.00 173.24 173.20 2k4k n ILE 76 N 1.39 0.08 0.09 1.44 2.08 -0.11 -1.69 119.36 122.64 2k4k n ILE 76 Ca -0.22 -0.08 0.20 0.00 0.56 0.00 0.00 62.75 63.20 2k4k n ILE 76 Cb 0.55 -0.21 0.75 0.00 -0.75 0.00 0.00 39.64 39.97 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 -0.77 0.12 114.38 114.22 2k4k h ARG 77 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2k4k h ARG 77 Cb 0.61 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.69 2k4k h ARG 77 CO 0.00 0.00 0.00 0.00 0.10 0.00 0.00 179.97 180.07 2k4k h ALA 78 N 1.64 1.00 0.00 0.08 0.00 -1.83 -3.39 119.26 116.76 2k4k h ALA 78 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2k4k h ALA 78 Cb 0.92 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.71 2k4k h ALA 78 CO -0.00 0.00 -0.85 0.25 0.00 0.00 0.00 179.25 178.64 2k4k n THR 79 N -2.94 0.00 -3.96 0.00 -2.24 0.09 -4.97 114.28 100.26 2k4k n THR 79 Ca 0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.72 2k4k n THR 79 Cb 0.44 0.06 -0.10 0.00 -2.10 0.00 0.00 70.33 68.64 2k4k n THR 79 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2k4k s GLN 80 N -1.75 0.54 0.16 -0.78 -0.21 0.18 -4.99 119.66 112.81 2k4k s GLN 80 Ca 0.00 -0.78 -0.10 0.00 0.02 0.00 0.00 55.36 54.50 2k4k s GLN 80 Cb 0.00 0.21 0.02 0.00 1.00 0.00 0.00 33.01 34.23 2k4k s GLN 80 CO 0.00 -0.12 1.57 0.00 -2.12 0.00 0.00 175.29 174.62 2k4k h ALA 81 N 3.79 0.70 -7.02 6.09 0.00 -1.86 -3.37 119.26 117.59 2k4k h ALA 81 Ca -0.33 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 53.70 2k4k h ALA 81 Cb 1.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2k4k h ALA 81 CO 0.50 0.64 -0.86 0.00 0.00 0.00 0.00 179.25 179.54 2k4k n ALA 82 N -2.50 -2.32 -1.30 0.00 0.00 -1.26 -4.62 120.51 108.51 2k4k n ALA 82 Ca 0.01 -0.50 -0.30 0.00 0.00 0.00 0.00 53.44 52.64 2k4k n ALA 82 Cb 0.42 -2.03 0.10 0.00 0.00 0.00 0.00 19.45 17.95 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 -7.10 1.95 0.44 0.00 0.04 -1.26 -4.69 135.00 124.37 2k4k s PRO 83 Ca 0.38 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 2k4k s PRO 83 Cb -0.21 -1.88 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 2k4k s PRO 83 CO 0.83 -1.80 1.39 -1.21 0.04 0.00 0.00 177.00 176.26 2k4k s GLU 84 N -4.95 3.77 0.29 4.56 2.02 -1.26 -4.75 118.70 118.38 2k4k s GLU 84 Ca 0.62 2.35 -0.17 0.00 0.02 0.00 0.00 54.97 57.79 2k4k s GLU 84 Cb -0.17 -2.69 0.02 0.00 0.10 0.00 0.00 34.13 31.39 2k4k s GLU 84 CO 0.56 -0.72 0.66 -1.59 0.02 0.00 0.00 175.26 174.19 2k4k s LYS 85 N -2.38 1.81 -0.42 1.61 -2.85 -1.26 -5.11 119.74 111.13 2k4k s LYS 85 Ca 0.60 -1.17 0.02 0.00 -1.00 0.00 0.00 55.97 54.41 2k4k s LYS 85 Cb -0.42 0.57 0.13 0.00 -2.06 0.00 0.00 37.83 36.05 2k4k s LYS 85 CO 0.54 -0.81 0.22 0.15 0.10 0.00 0.00 175.35 175.55 2k4k s LYS 86 N -3.63 1.26 0.00 1.78 1.02 -1.26 -4.88 119.74 114.02 2k4k s LYS 86 Ca 0.16 -1.92 0.00 0.00 0.02 0.00 0.00 55.97 54.22 2k4k s LYS 86 Cb -0.04 -2.36 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2k4k s LYS 86 CO 0.09 -1.13 0.00 -1.91 -0.92 0.00 0.00 175.35 171.48 2k4k n GLU 87 N 3.69 0.00 -0.39 1.68 2.13 -1.26 -4.92 120.64 121.57 2k4k n GLU 87 Ca 0.07 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2k4k n GLU 87 Cb 0.35 -0.10 0.03 0.00 0.27 0.00 0.00 31.44 31.99 2k4k n GLU 87 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2k4k n SER 88 N 0.00 0.47 -4.55 4.31 7.64 -1.26 -5.07 113.62 115.15 2k4k n SER 88 Ca 0.00 -2.16 -0.35 0.00 1.01 0.00 0.00 58.87 57.38 2k4k n SER 88 Cb 0.10 -0.23 0.10 0.00 -1.01 0.00 0.00 64.21 63.17 2k4k n SER 88 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2k4k n LYS 89 N -0.28 0.24 -1.02 1.43 2.85 -1.26 -4.81 118.16 115.31 2k4k n LYS 89 Ca 0.03 0.14 -0.32 0.00 -1.05 0.00 0.00 58.31 57.11 2k4k n LYS 89 Cb 0.67 -2.08 0.13 0.00 -0.65 0.00 0.00 35.03 33.10 2k4k n LYS 89 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2k4k s PRO 90 N -3.37 1.60 0.00 -1.58 0.04 -1.26 -4.98 135.00 125.45 2k4k s PRO 90 Ca 0.68 1.51 0.00 0.00 0.04 0.00 0.00 61.00 63.23 2k4k s PRO 90 Cb -0.31 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2k4k s PRO 90 CO 0.56 -2.19 0.45 0.54 0.04 0.00 0.00 177.00 176.40 2k4k n ARG 91 N -3.68 -0.19 -4.05 4.56 1.74 -1.26 -5.05 116.66 108.74 2k4k n ARG 91 Ca 0.12 -0.52 -0.44 0.00 -0.77 0.00 0.00 57.85 56.23 2k4k n ARG 91 Cb 0.52 -0.86 0.02 0.00 -1.02 0.00 0.00 32.46 31.11 2k4k n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2k4k n LYS 92 N -0.07 -0.41 -1.61 5.56 4.76 -1.26 -4.64 118.16 120.49 2k4k n LYS 92 Ca 0.00 0.17 -0.33 0.00 -2.87 0.00 0.00 58.31 55.28 2k4k n LYS 92 Cb 0.12 -2.40 0.06 0.00 -1.84 0.00 0.00 35.03 30.97 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 -7.10 2.56 0.35 1.97 0.04 -1.26 -1.39 135.00 130.16 2k4k s PRO 93 Ca 0.42 1.45 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 2k4k s PRO 93 Cb -0.23 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 2k4k s PRO 93 CO 0.97 -1.45 1.34 0.21 0.04 0.00 0.00 177.00 178.11 2k4k s LYS 94 N -4.15 4.28 -0.06 4.56 2.20 -1.26 -4.29 119.74 121.03 2k4k s LYS 94 Ca 0.68 2.29 -0.12 0.00 -0.36 0.00 0.00 55.97 58.45 2k4k s LYS 94 Cb -0.22 -3.03 0.02 0.00 -1.51 0.00 0.00 37.83 33.09 2k4k s LYS 94 CO 0.44 -0.28 0.30 0.00 -0.36 0.00 0.00 175.35 175.45 2k4k s ALA 95 N -1.14 -0.74 0.16 3.13 0.00 -0.91 -4.92 121.76 117.34 2k4k s ALA 95 Ca 0.50 0.52 -0.10 0.00 0.00 0.00 0.00 51.96 52.88 2k4k s ALA 95 Cb -0.41 -0.18 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 2k4k s ALA 95 CO 0.55 -0.21 0.31 0.00 0.00 0.00 0.00 175.76 176.42 2k4k s ALA 96 N -0.69 -0.15 0.57 0.00 0.00 -1.26 -0.94 121.76 119.29 2k4k s ALA 96 Ca -0.08 -0.77 -0.20 0.00 0.00 0.00 0.00 51.96 50.91 2k4k s ALA 96 Cb -0.04 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 2k4k s ALA 96 CO 0.02 -0.66 1.31 -0.65 0.00 0.00 0.00 175.76 175.78 2k4k s GLN 97 N -3.95 3.02 0.24 0.00 -0.21 -1.26 -4.76 119.66 112.73 2k4k s GLN 97 Ca 0.15 2.10 -0.09 0.00 0.02 0.00 0.00 55.36 57.54 2k4k s GLN 97 Cb 0.03 -2.12 -0.01 0.00 1.00 0.00 0.00 33.01 31.90 2k4k s GLN 97 CO -0.01 -1.25 0.39 0.14 -2.12 0.00 0.00 175.29 172.44 2k4k s VAL 98 N -1.38 0.00 0.30 1.09 -7.23 -1.26 -5.14 120.40 106.78 2k4k s VAL 98 Ca 0.75 -1.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2k4k s VAL 98 Cb -0.37 -2.30 -0.13 0.00 0.56 0.00 0.00 36.38 34.14 2k4k s VAL 98 CO 0.43 0.00 1.32 -1.20 -0.31 0.00 0.00 175.10 175.34 2k4k n SER 99 N -0.40 2.67 -3.65 4.85 7.64 -1.26 -5.00 113.62 118.47 2k4k n SER 99 Ca -0.01 1.18 -0.13 0.00 1.01 0.00 0.00 58.87 60.93 2k4k n SER 99 Cb 0.63 -1.45 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 2k4k n SER 99 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2k4k s GLU 100 N -1.25 0.94 0.00 1.43 2.56 -1.26 -5.06 118.70 116.06 2k4k s GLU 100 Ca 0.61 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 55.22 2k4k s GLU 100 Cb -0.61 0.42 0.00 0.00 2.00 0.00 0.00 34.13 35.94 2k4k s GLU 100 CO 0.57 -0.32 0.00 0.39 -0.56 0.00 0.00 175.26 175.33 2k4k n GLU 101 N 0.47 3.98 -1.87 4.30 1.02 -1.26 -5.07 120.64 122.21 2k4k n GLU 101 Ca -0.18 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.60 2k4k n GLU 101 Cb 0.60 -0.43 0.05 0.00 -0.02 0.00 0.00 31.44 31.64 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2k4k s ALA 102 N -0.25 2.45 0.11 0.62 0.00 -1.26 -4.99 121.76 118.44 2k4k s ALA 102 Ca 0.00 1.04 0.03 0.00 0.00 0.00 0.00 51.96 53.03 2k4k s ALA 102 Cb 0.00 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.60 2k4k s ALA 102 CO 0.00 -1.37 -0.08 -1.12 0.00 0.00 0.00 175.76 173.19 2k4k s SER 103 N -1.61 1.39 0.56 0.00 0.01 -1.26 -2.06 113.70 110.73 2k4k s SER 103 Ca 0.78 -0.95 -0.20 0.00 1.31 0.00 0.00 55.95 56.90 2k4k s SER 103 Cb -0.32 0.04 -0.06 0.00 0.21 0.00 0.00 66.02 65.89 2k4k s SER 103 CO 0.36 -0.37 0.97 0.35 0.41 0.00 0.00 173.24 174.96 2k4k n THR 104 N 0.11 3.35 0.19 1.44 -2.24 -1.26 -4.70 114.28 111.17 2k4k n THR 104 Ca -0.13 -0.50 0.06 0.00 -2.27 0.00 0.00 64.05 61.21 2k4k n THR 104 Cb 0.60 -1.15 0.34 0.00 -2.10 0.00 0.00 70.33 68.02 2k4k n THR 104 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2k4k h PRO 105 N 0.73 0.00 -6.96 -0.78 0.13 -2.01 -3.45 132.00 119.67 2k4k h PRO 105 Ca -0.48 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.11 2k4k h PRO 105 Cb 1.36 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.60 2k4k h PRO 105 CO 0.52 0.35 0.75 -0.65 -0.23 0.00 0.00 178.00 178.74 2k4k s GLN 106 N -3.59 3.95 0.00 0.86 1.11 -1.26 -4.88 119.66 115.86 2k4k s GLN 106 Ca 0.00 2.50 0.00 0.00 0.01 0.00 0.00 55.36 57.88 2k4k s GLN 106 Cb 0.11 -2.85 0.00 0.00 -1.01 0.00 0.00 33.01 29.26 2k4k s GLN 106 CO 0.68 -0.63 0.00 0.41 0.01 0.00 0.00 175.29 175.76 2k4k n GLY 107 N 0.51 0.00 0.21 3.09 0.00 -1.26 -5.05 105.19 102.69 2k4k n GLY 107 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 2k4k n GLY 107 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2k4k h PHE 108 N 0.00 0.00 -3.39 1.61 0.04 -2.02 -3.44 116.94 109.74 2k4k h PHE 108 Ca 0.00 0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2k4k h PHE 108 Cb 0.00 0.00 -0.14 0.00 2.20 0.00 0.00 35.95 38.01 2k4k h PHE 108 CO 0.00 0.28 -0.13 1.21 -0.60 0.00 0.00 178.31 179.07 2k4k s ASN 109 N -6.73 -0.19 0.86 2.17 2.47 -1.26 -5.17 114.94 107.09 2k4k s ASN 109 Ca -0.03 -0.31 -0.12 0.00 0.42 0.00 0.00 52.86 52.82 2k4k s ASN 109 Cb 0.14 0.44 0.11 0.00 -1.45 0.00 0.00 41.25 40.50 2k4k s ASN 109 CO 0.69 -0.80 1.19 0.42 -3.72 0.00 0.00 177.10 174.87 2k4k s THR 110 N -3.57 2.00 -0.14 -5.21 -4.23 -1.26 -5.07 115.64 98.16 2k4k s THR 110 Ca 0.02 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.46 2k4k s THR 110 Cb 0.02 -2.24 0.05 0.00 1.34 0.00 0.00 72.50 71.67 2k4k s THR 110 CO -0.10 -0.00 0.33 -0.22 -0.54 0.00 0.00 174.62 174.09 2k4k s LEU 111 N -6.10 0.10 0.09 4.79 2.96 -1.26 -5.06 118.68 114.20 2k4k s LEU 111 Ca 0.71 0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 55.17 2k4k s LEU 111 Cb -0.27 1.04 -0.08 0.00 0.50 0.00 0.00 46.19 47.39 2k4k s LEU 111 CO 0.54 -0.18 1.47 0.50 -1.32 0.00 0.00 176.35 177.35 2k4k h LYS 112 N 7.26 0.58 -6.90 1.98 3.64 -2.08 -3.44 116.57 117.59 2k4k h LYS 112 Ca -0.37 -0.24 -0.55 0.00 -1.27 0.00 0.00 60.65 58.22 2k4k h LYS 112 Cb 1.16 -0.02 0.12 0.00 -0.41 0.00 0.00 32.23 33.08 2k4k h LYS 112 CO 0.32 0.80 0.65 -3.47 -2.27 0.00 0.00 179.45 175.48 2k4k n ASP 113 N -4.45 3.21 -3.81 4.20 2.03 -1.26 -5.04 116.55 111.43 2k4k n ASP 113 Ca -0.03 1.16 -0.12 0.00 0.52 0.00 0.00 54.79 56.31 2k4k n ASP 113 Cb 0.35 -1.57 -0.09 0.00 -0.72 0.00 0.00 41.12 39.09 2k4k n ASP 113 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2k4k s LYS 114 N -2.22 0.61 0.00 -0.67 2.20 -1.26 -5.05 119.74 113.34 2k4k s LYS 114 Ca 0.58 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.88 2k4k s LYS 114 Cb -0.49 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.10 2k4k s LYS 114 CO 0.60 -0.16 0.00 -0.11 -0.36 0.00 0.00 175.35 175.32 2k4k n LEU 115 N 1.27 0.00 -3.72 5.43 7.94 -1.26 -5.13 117.00 121.53 2k4k n LEU 115 Ca -0.22 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.58 2k4k n LEU 115 Cb 0.56 0.06 -0.04 0.00 0.53 0.00 0.00 43.42 44.52 2k4k n LEU 115 CO 0.22 -0.18 0.19 -1.83 -1.11 0.00 0.00 177.39 174.69 2k4k s GLU 116 N -1.35 1.23 -0.02 1.96 -1.05 -1.26 -5.09 118.70 113.12 2k4k s GLU 116 Ca 0.00 -0.84 0.16 0.00 -0.15 0.00 0.00 54.97 54.14 2k4k s GLU 116 Cb 0.00 0.48 0.28 0.00 -0.44 0.00 0.00 34.13 34.45 2k4k s GLU 116 CO 0.00 -0.50 1.11 -0.85 0.95 0.00 0.00 175.26 175.97 2k4k n GLU 117 N -0.28 0.08 -4.36 -4.83 0.28 -1.26 -5.12 120.64 105.15 2k4k n GLU 117 Ca -0.12 -1.67 -0.18 0.00 -0.16 0.00 0.00 57.16 55.02 2k4k n GLU 117 Cb 0.63 0.14 -0.10 0.00 1.43 0.00 0.00 31.44 33.53 2k4k n GLU 117 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2k4k s TRP 118 N -0.12 1.68 -0.01 -1.84 0.51 -1.26 -4.41 118.94 113.48 2k4k s TRP 118 Ca 0.21 -0.95 0.01 0.00 -2.12 0.00 0.00 56.10 53.25 2k4k s TRP 118 Cb 0.25 -1.01 0.01 0.00 -0.81 0.00 0.00 33.47 31.91 2k4k s TRP 118 CO -0.10 -0.04 -0.01 -1.50 -0.51 0.00 0.00 176.95 174.78 2k4k s ILE 119 N -3.40 0.19 0.36 2.03 1.10 -0.88 -4.39 121.20 116.22 2k4k s ILE 119 Ca 0.31 -0.02 -0.17 0.00 -0.51 0.00 0.00 60.65 60.26 2k4k s ILE 119 Cb 0.06 -0.22 0.05 0.00 0.15 0.00 0.00 42.46 42.51 2k4k s ILE 119 CO 0.11 0.09 0.79 -1.83 -2.11 0.00 0.00 174.94 171.99 2k4k s GLU 120 N 0.40 2.14 0.08 3.50 -1.05 -1.26 -4.74 118.70 117.77 2k4k s GLU 120 Ca -0.04 -1.35 -0.01 0.00 -0.15 0.00 0.00 54.97 53.42 2k4k s GLU 120 Cb -0.07 0.62 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 2k4k s GLU 120 CO -0.01 -1.00 0.01 -1.64 0.95 0.00 0.00 175.26 173.58 2k4k s MET 121 N -2.54 0.74 0.05 -4.83 -1.94 -1.26 -5.12 119.30 104.39 2k4k s MET 121 Ca 0.15 -1.28 -0.01 0.00 -1.71 0.00 0.00 55.69 52.84 2k4k s MET 121 Cb -0.05 0.23 -0.04 0.00 2.01 0.00 0.00 34.83 36.98 2k4k s MET 121 CO 0.11 -0.17 -0.02 -1.12 -0.01 0.00 0.00 175.02 173.80 2k4k s SER 122 N -2.96 0.44 -0.24 3.03 0.01 -1.26 -4.17 113.70 108.55 2k4k s SER 122 Ca 0.13 -0.91 -0.11 0.00 1.31 0.00 0.00 55.95 56.36 2k4k s SER 122 Cb 0.08 0.19 0.09 0.00 0.21 0.00 0.00 66.02 66.58 2k4k s SER 122 CO -0.06 -0.56 0.56 0.21 0.41 0.00 0.00 173.24 173.80 2k4k s ASN 123 N -2.71 -0.76 0.09 2.44 2.47 -0.12 -4.91 114.94 111.44 2k4k s ASN 123 Ca 0.04 1.28 -0.31 0.00 0.42 0.00 0.00 52.86 54.29 2k4k s ASN 123 Cb 0.05 1.41 -0.10 0.00 -1.45 0.00 0.00 41.25 41.17 2k4k s ASN 123 CO -0.09 -0.22 1.84 -0.60 -3.72 0.00 0.00 177.10 174.31 2k4k s ARG 124 N 2.00 4.14 1.14 0.43 6.06 -1.26 -2.15 118.95 129.31 2k4k s ARG 124 Ca -0.08 2.57 -0.13 0.00 -2.50 0.00 0.00 55.73 55.60 2k4k s ARG 124 Cb -0.08 -3.73 0.27 0.00 0.06 0.00 0.00 34.95 31.46 2k4k s ARG 124 CO -0.17 -0.86 1.04 -1.59 -2.50 0.00 0.00 175.30 171.22 2k4k s LYS 125 N 3.16 -0.76 1.21 5.12 -2.85 -1.26 -4.84 119.74 119.52 2k4k s LYS 125 Ca 0.82 0.89 -0.17 0.00 -1.00 0.00 0.00 55.97 56.52 2k4k s LYS 125 Cb -0.44 -1.57 0.25 0.00 -2.06 0.00 0.00 37.83 34.01 2k4k s LYS 125 CO 0.37 -3.63 0.64 -3.47 0.10 0.00 0.00 175.35 169.36 2k4k n ASP 126 N -4.86 -2.49 0.00 0.03 2.03 -0.48 -4.89 116.55 105.89 2k4k n ASP 126 Ca 0.04 -0.31 0.05 0.00 0.52 0.00 0.00 54.79 55.08 2k4k n ASP 126 Cb 0.54 -1.09 0.28 0.00 -0.72 0.00 0.00 41.12 40.14 2k4k n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4k n LEU 127 N -3.92 0.00 -4.64 -2.67 -0.00 -1.26 -4.88 117.00 99.63 2k4k n LEU 127 Ca 0.04 0.02 -0.43 0.00 -0.00 0.00 0.00 56.01 55.64 2k4k n LEU 127 Cb 0.56 -0.02 -0.00 0.00 -0.00 0.00 0.00 43.42 43.95 2k4k n LEU 127 CO 0.51 -0.02 0.72 0.00 -0.00 0.00 0.00 177.39 178.60 2k4k n ILE 128 N -1.02 2.13 0.26 1.47 3.06 -1.26 -4.92 119.36 119.07 2k4k n ILE 128 Ca 0.07 -0.50 0.16 0.00 -2.50 0.00 0.00 62.75 59.98 2k4k n ILE 128 Cb 0.04 -1.29 0.55 0.00 0.54 0.00 0.00 39.64 39.48 2k4k n ILE 128 CO 0.00 0.00 0.00 0.07 -2.50 0.00 0.00 176.55 174.12 2k4k h LYS 129 N 2.11 0.00 0.00 9.51 2.10 -2.04 -3.52 116.57 124.73 2k4k h LYS 129 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2k4k h LYS 129 Cb 1.31 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.64 2k4k h LYS 129 CO 0.60 0.02 0.00 1.63 -2.00 0.00 0.00 179.45 179.70