#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 0.76 0.35 -5.12 0.00 -1.26 -4.58 121.76 111.91 2k4k s ALA 2 Ca 0.00 -1.46 0.04 0.00 0.00 0.00 0.00 51.96 50.53 2k4k s ALA 2 Cb 0.00 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.38 2k4k s ALA 2 CO 0.00 -0.67 0.13 0.00 0.00 0.00 0.00 175.76 175.22 2k4k s ALA 3 N -4.12 2.45 -0.05 0.00 0.00 -1.26 -5.01 121.76 113.77 2k4k s ALA 3 Ca 0.34 -1.59 0.16 0.00 0.00 0.00 0.00 51.96 50.87 2k4k s ALA 3 Cb 0.05 0.89 0.30 0.00 0.00 0.00 0.00 23.12 24.35 2k4k s ALA 3 CO 0.11 -0.40 1.13 0.36 0.00 0.00 0.00 175.76 176.96 2k4k n LYS 4 N -0.75 0.41 -4.24 0.00 2.85 -1.26 -5.07 118.16 110.10 2k4k n LYS 4 Ca -0.03 -2.02 -0.13 0.00 -1.05 0.00 0.00 58.31 55.08 2k4k n LYS 4 Cb 0.65 -0.57 -0.10 0.00 -0.65 0.00 0.00 35.03 34.36 2k4k n LYS 4 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 2k4k s PHE 5 N -0.86 1.20 0.01 5.58 0.40 -1.26 -5.18 117.98 117.88 2k4k s PHE 5 Ca 0.25 -1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 55.41 2k4k s PHE 5 Cb 0.27 -0.69 0.02 0.00 0.51 0.00 0.00 43.02 43.13 2k4k s PHE 5 CO -0.09 -0.23 0.30 -1.83 0.70 0.00 0.00 175.22 174.07 2k4k s GLU 6 N -3.92 0.71 0.36 0.44 -1.05 -1.26 -5.00 118.70 108.98 2k4k s GLU 6 Ca 0.24 -0.33 -0.27 0.00 -0.15 0.00 0.00 54.97 54.46 2k4k s GLU 6 Cb 0.06 0.31 -0.12 0.00 -0.44 0.00 0.00 34.13 33.94 2k4k s GLU 6 CO 0.04 -0.21 1.28 1.33 0.95 0.00 0.00 175.26 178.65 2k4k n VAL 7 N 1.01 2.11 0.00 1.83 0.24 -1.26 -2.35 118.33 119.90 2k4k n VAL 7 Ca -0.20 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 2k4k n VAL 7 Cb 0.57 -1.56 0.00 0.00 -1.47 0.00 0.00 33.84 31.39 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 0.79 2.48 3.71 7.63 0.00 -0.32 -5.01 105.19 114.47 2k4k n GLY 8 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.11 3.50 -0.05 1.61 0.01 -0.99 -4.76 113.70 110.91 2k4k s SER 9 Ca 0.00 2.00 -0.00 0.00 1.31 0.00 0.00 55.95 59.26 2k4k s SER 9 Cb 0.00 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.73 2k4k s SER 9 CO 0.00 -2.70 0.00 -0.69 0.41 0.00 0.00 173.24 170.26 2k4k s VAL 10 N -2.76 0.27 0.26 3.43 1.01 -1.26 -0.68 120.40 120.67 2k4k s VAL 10 Ca 0.64 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.72 2k4k s VAL 10 Cb -0.20 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 2k4k s VAL 10 CO 0.57 0.20 0.27 -0.31 0.00 0.00 0.00 175.10 175.83 2k4k s TYR 11 N 1.47 1.17 0.03 5.22 2.02 -0.73 -5.00 117.35 121.55 2k4k s TYR 11 Ca -0.03 -1.34 0.07 0.00 -0.37 0.00 0.00 57.07 55.40 2k4k s TYR 11 Cb -0.13 -0.42 -0.03 0.00 -0.40 0.00 0.00 41.96 40.98 2k4k s TYR 11 CO -0.03 -0.82 -0.18 0.99 -1.57 0.00 0.00 175.55 173.95 2k4k s THR 12 N -3.80 2.83 0.19 -0.71 2.01 -1.26 -0.64 115.64 114.25 2k4k s THR 12 Ca 0.36 -1.15 -0.04 0.00 0.31 0.00 0.00 61.69 61.17 2k4k s THR 12 Cb 0.04 -2.19 0.02 0.00 0.01 0.00 0.00 72.50 70.38 2k4k s THR 12 CO 0.17 0.35 0.32 0.61 -0.69 0.00 0.00 174.62 175.38 2k4k n GLY 13 N 1.59 2.10 2.95 4.40 0.00 -0.02 -4.83 105.19 111.38 2k4k n GLY 13 Ca -0.16 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 2k4k n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k4k s LYS 14 N -2.24 1.56 0.08 1.61 2.36 -0.23 -0.98 119.74 121.90 2k4k s LYS 14 Ca 0.12 -0.30 -0.31 0.00 -2.55 0.00 0.00 55.97 52.93 2k4k s LYS 14 Cb -0.01 -1.49 -0.08 0.00 -1.05 0.00 0.00 37.83 35.19 2k4k s LYS 14 CO 0.08 -0.15 1.61 0.08 1.55 0.00 0.00 175.35 178.52 2k4k s VAL 15 N 1.30 3.06 -0.40 4.02 1.01 0.12 -1.01 120.40 128.50 2k4k s VAL 15 Ca -0.03 0.56 0.09 0.00 0.00 0.00 0.00 61.98 62.60 2k4k s VAL 15 Cb -0.14 -3.36 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 2k4k s VAL 15 CO -0.04 0.01 0.37 0.35 0.00 0.00 0.00 175.10 175.79 2k4k n THR 16 N 4.60 0.00 -3.60 3.92 -2.24 0.17 -1.18 114.28 115.95 2k4k n THR 16 Ca 0.15 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2k4k n THR 16 Cb 0.41 0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 69.61 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 -1.86 -0.39 0.06 3.38 0.00 -1.20 -4.93 107.32 102.39 2k4k s GLY 17 Ca 0.03 1.09 0.07 0.00 0.00 0.00 0.00 44.72 45.91 2k4k s GLY 17 CO 0.36 0.28 -0.20 1.08 0.00 0.00 0.00 173.10 174.62 2k4k s LEU 18 N -2.71 2.22 0.09 0.66 1.43 -1.26 -0.95 118.68 118.16 2k4k s LEU 18 Ca 0.13 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 2k4k s LEU 18 Cb 0.04 -0.88 -0.02 0.00 0.03 0.00 0.00 46.19 45.36 2k4k s LEU 18 CO -0.05 0.10 0.11 -1.10 0.23 0.00 0.00 176.35 175.65 2k4k s GLN 19 N -1.45 0.81 0.00 1.70 -0.21 0.27 -4.99 119.66 115.79 2k4k s GLN 19 Ca 0.06 -1.12 0.05 0.00 0.02 0.00 0.00 55.36 54.37 2k4k s GLN 19 Cb -0.09 0.29 0.31 0.00 1.00 0.00 0.00 33.01 34.52 2k4k s GLN 19 CO 0.03 -0.23 0.84 0.00 -2.12 0.00 0.00 175.29 173.81 2k4k n ALA 20 N -0.03 1.64 -0.63 6.09 0.00 -1.26 -1.95 120.51 124.38 2k4k n ALA 20 Ca -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2k4k n ALA 20 Cb 0.62 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.06 0.00 0.00 0.00 4.11 -1.26 -4.97 117.16 113.98 2k4k n TYR 21 Ca 0.04 -0.04 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2k4k n TYR 21 Cb 0.02 -0.00 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 -0.04 -0.12 3.11 -7.48 0.00 -0.82 -1.19 105.19 98.64 2k4k n GLY 22 Ca 0.00 -1.09 -0.33 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 2.25 0.28 4.61 0.00 0.43 -0.56 121.76 126.77 2k4k s ALA 23 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 51.96 50.50 2k4k s ALA 23 Cb 0.00 -1.15 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 2k4k s ALA 23 CO 0.00 -0.34 1.10 -0.06 0.00 0.00 0.00 175.76 176.46 2k4k s PHE 24 N 1.30 3.57 -0.15 0.00 0.08 -0.12 -0.71 117.98 121.96 2k4k s PHE 24 Ca 0.05 1.70 -0.03 0.00 0.12 0.00 0.00 56.93 58.77 2k4k s PHE 24 Cb -0.13 -3.28 0.05 0.00 -0.57 0.00 0.00 43.02 39.08 2k4k s PHE 24 CO -0.12 -0.55 0.03 0.08 -0.10 0.00 0.00 175.22 174.55 2k4k s VAL 25 N -1.17 0.40 0.39 -0.44 1.01 -0.21 -0.65 120.40 119.72 2k4k s VAL 25 Ca 0.45 -0.26 -0.25 0.00 0.00 0.00 0.00 61.98 61.91 2k4k s VAL 25 Cb -0.32 -0.80 -0.09 0.00 0.00 0.00 0.00 36.38 35.18 2k4k s VAL 25 CO 0.41 -0.04 1.14 0.00 0.00 0.00 0.00 175.10 176.60 2k4k s ALA 26 N 1.93 3.16 0.00 5.51 0.00 -0.18 -1.33 121.76 130.85 2k4k s ALA 26 Ca 0.02 0.90 0.00 0.00 0.00 0.00 0.00 51.96 52.87 2k4k s ALA 26 Cb -0.15 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.62 2k4k s ALA 26 CO -0.07 -0.42 0.00 1.28 0.00 0.00 0.00 175.76 176.55 2k4k n LEU 27 N 0.14 0.00 -4.00 0.00 4.77 0.07 -1.07 117.00 116.91 2k4k n LEU 27 Ca 0.04 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2k4k n LEU 27 Cb 0.47 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 2k4k n LEU 27 CO 0.50 0.00 0.19 -0.62 -1.33 0.00 0.00 177.39 176.12 2k4k s ASP 28 N -2.48 -0.09 0.09 -1.43 2.15 -0.75 -4.86 116.67 109.30 2k4k s ASP 28 Ca 0.00 -0.93 0.06 0.00 0.43 0.00 0.00 52.55 52.12 2k4k s ASP 28 Cb 0.00 0.59 0.35 0.00 -0.30 0.00 0.00 42.92 43.56 2k4k s ASP 28 CO 0.00 -1.15 1.20 -1.84 -0.17 0.00 0.00 175.17 173.21 2k4k n GLU 29 N -0.39 0.04 -0.53 4.34 0.28 -1.26 -2.40 120.64 120.73 2k4k n GLU 29 Ca -0.02 0.53 0.00 0.00 -0.16 0.00 0.00 57.16 57.52 2k4k n GLU 29 Cb 0.62 -1.63 0.00 0.00 1.43 0.00 0.00 31.44 31.86 2k4k n GLU 29 CO 0.00 0.00 0.00 -0.85 -0.16 0.00 0.00 177.13 176.12 2k4k n GLU 30 N -1.72 0.00 -3.78 3.44 0.28 -1.26 -5.08 120.64 112.52 2k4k n GLU 30 Ca -0.00 -0.94 -0.13 0.00 -0.16 0.00 0.00 57.16 55.93 2k4k n GLU 30 Cb 0.01 -0.44 -0.11 0.00 1.43 0.00 0.00 31.44 32.34 2k4k n GLU 30 CO 0.00 0.00 0.00 0.99 -0.16 0.00 0.00 177.13 177.96 2k4k s THR 31 N 0.00 0.01 0.06 3.84 2.01 -1.01 -5.08 115.64 115.47 2k4k s THR 31 Ca 0.01 -0.06 -0.13 0.00 0.31 0.00 0.00 61.69 61.83 2k4k s THR 31 Cb 0.01 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.12 2k4k s THR 31 CO -0.00 -0.03 0.29 -1.58 -0.69 0.00 0.00 174.62 172.60 2k4k s GLN 32 N -0.00 0.85 0.34 4.92 0.74 -1.26 -0.75 119.66 124.49 2k4k s GLN 32 Ca -0.01 -0.63 0.06 0.00 0.05 0.00 0.00 55.36 54.82 2k4k s GLN 32 Cb -0.02 0.36 -0.02 0.00 1.10 0.00 0.00 33.01 34.43 2k4k s GLN 32 CO 0.01 -0.28 0.33 0.41 -0.55 0.00 0.00 175.29 175.21 2k4k n GLY 33 N 0.34 2.74 2.86 2.59 0.00 -0.44 -4.31 105.19 108.97 2k4k n GLY 33 Ca -0.18 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 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 2.33 -0.12 0.99 2.96 -0.20 -1.05 118.68 123.59 2k4k s LEU 34 Ca 0.38 -1.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.75 2k4k s LEU 34 Cb 0.01 -1.01 -0.05 0.00 0.50 0.00 0.00 46.19 45.65 2k4k s LEU 34 CO 0.27 -0.30 1.74 -0.69 -1.32 0.00 0.00 176.35 176.05 2k4k s VAL 35 N 1.51 3.50 0.43 1.68 1.01 0.11 -1.36 120.40 127.28 2k4k s VAL 35 Ca -0.00 0.58 -0.22 0.00 0.00 0.00 0.00 61.98 62.33 2k4k s VAL 35 Cb -0.18 -3.45 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 2k4k s VAL 35 CO -0.10 -0.14 1.03 -1.00 0.00 0.00 0.00 175.10 174.89 2k4k s HIS 36 N 4.95 3.19 0.37 5.22 0.09 -1.23 -0.43 115.29 127.45 2k4k s HIS 36 Ca 0.77 1.62 0.10 0.00 -0.00 0.00 0.00 55.06 57.56 2k4k s HIS 36 Cb -0.31 -3.08 0.87 0.00 -0.00 0.00 0.00 32.58 30.06 2k4k s HIS 36 CO 0.31 -0.63 1.88 0.97 -0.00 0.00 0.00 174.74 177.27 2k4k h ILE 37 N 1.95 0.82 0.00 0.60 2.10 -1.50 0.38 117.51 121.86 2k4k h ILE 37 Ca -0.49 -0.22 0.00 0.00 1.08 0.00 0.00 64.86 65.24 2k4k h ILE 37 Cb 1.21 0.13 0.00 0.00 -1.09 0.00 0.00 36.82 37.07 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 -4.55 0.00 -0.05 2.19 7.64 -1.26 -2.49 113.62 115.10 2k4k n SER 38 Ca 0.17 0.25 0.01 0.00 1.01 0.00 0.00 58.87 60.30 2k4k n SER 38 Cb 0.49 -0.34 0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 -1.34 0.86 0.09 1.43 -0.58 0.12 -4.69 120.64 116.52 2k4k n GLU 39 Ca 0.04 -1.00 -0.06 0.00 -0.42 0.00 0.00 57.16 55.71 2k4k n GLU 39 Cb 0.08 -1.02 -0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.20 1.56 -2.80 2.62 2.07 -1.50 0.13 116.25 118.54 2k4k h VAL 40 Ca 0.00 -2.79 0.06 0.00 0.82 0.00 0.00 66.70 64.80 2k4k h VAL 40 Cb 0.26 2.53 -0.09 0.00 -1.52 0.00 0.00 31.29 32.46 2k4k h VAL 40 CO 0.00 0.80 0.30 0.28 0.02 0.00 0.00 177.57 178.97 2k4k s THR 41 N -3.13 0.00 -0.18 2.57 -1.32 -1.26 -3.85 115.64 108.48 2k4k s THR 41 Ca -0.01 -0.48 0.22 0.00 -1.21 0.00 0.00 61.69 60.21 2k4k s THR 41 Cb 0.11 -1.54 0.25 0.00 -1.51 0.00 0.00 72.50 69.81 2k4k s THR 41 CO 0.81 0.00 1.66 0.45 -2.21 0.00 0.00 174.62 175.33 2k4k h HIS 42 N 2.00 0.00 -4.13 9.09 -0.00 -1.88 -3.45 115.15 116.78 2k4k h HIS 42 Ca -0.25 0.00 -0.47 0.00 -0.00 0.00 0.00 60.37 59.65 2k4k h HIS 42 Cb 1.27 0.00 0.14 0.00 -0.00 0.00 0.00 27.41 28.81 2k4k h HIS 42 CO 0.33 0.18 0.27 0.20 -0.00 0.00 0.00 177.93 178.92 2k4k s GLY 43 N -4.29 1.59 0.25 2.45 0.00 -1.26 -5.02 107.32 101.04 2k4k s GLY 43 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.15 2k4k s GLY 43 CO 0.67 0.21 1.26 -0.11 0.00 0.00 0.00 173.10 175.13 2k4k s PHE 44 N -3.11 3.26 -0.31 1.90 -0.71 -1.26 -4.99 117.98 112.77 2k4k s PHE 44 Ca 0.63 1.38 -0.29 0.00 -1.04 0.00 0.00 56.93 57.61 2k4k s PHE 44 Cb -0.16 -3.56 0.02 0.00 -1.21 0.00 0.00 43.02 38.10 2k4k s PHE 44 CO 0.55 -1.60 1.09 0.08 -1.34 0.00 0.00 175.22 174.01 2k4k s VAL 45 N -0.51 4.49 0.03 -2.49 1.01 -1.26 -4.92 120.40 116.76 2k4k s VAL 45 Ca 0.52 1.72 -0.27 0.00 0.00 0.00 0.00 61.98 63.94 2k4k s VAL 45 Cb -0.36 -4.39 -0.17 0.00 0.00 0.00 0.00 36.38 31.46 2k4k s VAL 45 CO 0.43 -0.46 1.37 0.11 0.00 0.00 0.00 175.10 176.54 2k4k h LYS 46 N 8.15 -0.53 -2.19 2.72 1.57 -1.94 -3.46 116.57 120.89 2k4k h LYS 46 Ca -0.21 0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2k4k h LYS 46 Cb 1.06 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.28 2k4k h LYS 46 CO 1.03 -0.25 0.06 0.34 -0.57 0.00 0.00 179.45 180.06 2k4k s ASP 47 N -4.86 -0.64 0.43 0.86 -1.08 -1.26 -5.06 116.67 105.06 2k4k s ASP 47 Ca -0.15 1.09 0.15 0.00 -0.52 0.00 0.00 52.55 53.12 2k4k s ASP 47 Cb 0.03 1.07 1.05 0.00 -1.46 0.00 0.00 42.92 43.61 2k4k s ASP 47 CO 0.56 -0.33 1.95 -0.29 0.52 0.00 0.00 175.17 177.58 2k4k h ILE 48 N 3.85 0.84 0.00 4.11 2.10 -1.89 0.17 117.51 126.68 2k4k h ILE 48 Ca -0.28 -0.14 0.00 0.00 1.08 0.00 0.00 64.86 65.52 2k4k h ILE 48 Cb 1.16 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 37.29 2k4k h ILE 48 CO 0.18 0.07 0.00 -0.55 -1.08 0.00 0.00 178.15 176.78 2k4k h ASN 49 N 0.40 0.00 0.10 2.19 7.08 -1.96 -1.84 115.58 121.56 2k4k h ASN 49 Ca 0.33 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.55 2k4k h ASN 49 Cb 0.72 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.96 2k4k h ASN 49 CO -0.10 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.63 2k4k n GLU 50 N -2.54 0.69 0.00 4.14 -0.58 0.05 -3.87 120.64 118.53 2k4k n GLU 50 Ca 0.01 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k4k n GLU 50 Cb 0.24 -1.50 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 -1.06 0.00 -3.98 -0.32 8.25 -0.75 -0.51 115.22 116.85 2k4k n HIS 51 Ca 0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.51 2k4k n HIS 51 Cb 0.11 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 2k4k n HIS 51 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2k4k s LEU 52 N -0.05 0.63 -0.13 2.41 2.96 -0.82 -4.84 118.68 118.85 2k4k s LEU 52 Ca 0.00 -1.38 -0.12 0.00 -0.22 0.00 0.00 54.13 52.41 2k4k s LEU 52 Cb 0.00 2.04 0.03 0.00 0.50 0.00 0.00 46.19 48.76 2k4k s LEU 52 CO 0.00 -1.48 0.34 -0.44 -1.32 0.00 0.00 176.35 173.45 2k4k s SER 53 N -3.18 -0.35 0.56 3.68 0.01 -1.26 -4.43 113.70 108.73 2k4k s SER 53 Ca 0.25 0.68 -0.18 0.00 1.31 0.00 0.00 55.95 58.01 2k4k s SER 53 Cb -0.02 0.68 -0.05 0.00 0.21 0.00 0.00 66.02 66.84 2k4k s SER 53 CO 0.17 -0.12 1.08 -0.69 0.41 0.00 0.00 173.24 174.09 2k4k s VAL 54 N 0.23 3.56 -0.81 3.43 1.01 -1.26 -3.95 120.40 122.60 2k4k s VAL 54 Ca -0.00 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.83 2k4k s VAL 54 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 33.02 2k4k s VAL 54 CO -0.00 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.39 2k4k n GLY 55 N -0.43 0.11 3.41 4.51 0.00 -0.33 -4.99 105.19 107.48 2k4k n GLY 55 Ca 0.10 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.62 3.07 -0.15 1.61 2.15 -1.25 -4.94 116.67 114.54 2k4k s ASP 56 Ca 0.00 -1.04 -0.10 0.00 0.43 0.00 0.00 52.55 51.85 2k4k s ASP 56 Cb 0.00 -0.22 -0.05 0.00 -0.30 0.00 0.00 42.92 42.36 2k4k s ASP 56 CO 0.00 -0.08 0.17 -0.70 -0.17 0.00 0.00 175.17 174.39 2k4k s GLU 57 N -3.59 3.89 0.00 4.34 2.12 -1.26 -0.70 118.70 123.50 2k4k s GLU 57 Ca 0.26 -0.10 -0.03 0.00 0.36 0.00 0.00 54.97 55.46 2k4k s GLU 57 Cb -0.02 -3.32 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 2k4k s GLU 57 CO 0.11 0.51 0.06 0.14 -0.54 0.00 0.00 175.26 175.53 2k4k s VAL 58 N -0.26 0.08 -0.17 3.70 -7.23 -0.15 -4.98 120.40 111.39 2k4k s VAL 58 Ca 0.13 -0.67 -0.09 0.00 -1.81 0.00 0.00 61.98 59.54 2k4k s VAL 58 Cb -0.12 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.47 2k4k s VAL 58 CO 0.02 -0.37 0.15 -1.58 -0.31 0.00 0.00 175.10 173.01 2k4k s GLN 59 N -1.18 3.94 0.07 4.82 0.74 -1.26 -0.84 119.66 125.95 2k4k s GLN 59 Ca -0.13 -0.16 0.07 0.00 0.05 0.00 0.00 55.36 55.19 2k4k s GLN 59 Cb -0.07 -3.34 -0.03 0.00 1.10 0.00 0.00 33.01 30.67 2k4k s GLN 59 CO 0.00 0.46 -0.18 0.14 -0.55 0.00 0.00 175.29 175.16 2k4k s VAL 60 N -0.13 1.47 -0.20 1.34 -7.23 0.19 -4.75 120.40 111.09 2k4k s VAL 60 Ca 0.11 -1.28 -0.08 0.00 -1.81 0.00 0.00 61.98 58.92 2k4k s VAL 60 Cb -0.12 -1.33 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 2k4k s VAL 60 CO 0.01 0.01 0.07 -0.75 -0.31 0.00 0.00 175.10 174.13 2k4k s LYS 61 N -1.49 3.91 0.09 4.82 2.20 -0.69 -1.77 119.74 126.81 2k4k s LYS 61 Ca 0.04 -0.37 -0.31 0.00 -0.36 0.00 0.00 55.97 54.98 2k4k s LYS 61 Cb -0.09 -3.26 -0.09 0.00 -1.51 0.00 0.00 37.83 32.88 2k4k s LYS 61 CO 0.03 0.16 1.64 0.08 -0.36 0.00 0.00 175.35 176.89 2k4k s VAL 62 N 0.70 2.94 -0.08 4.02 1.01 0.14 -1.16 120.40 127.97 2k4k s VAL 62 Ca 0.04 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.54 2k4k s VAL 62 Cb -0.13 -3.30 -0.09 0.00 0.00 0.00 0.00 36.38 32.86 2k4k s VAL 62 CO 0.02 0.01 0.01 -0.11 0.00 0.00 0.00 175.10 175.02 2k4k n LEU 63 N 5.26 0.47 -3.65 3.92 7.94 0.15 -1.17 117.00 129.92 2k4k n LEU 63 Ca 0.15 -0.01 -0.12 0.00 -1.11 0.00 0.00 56.01 54.93 2k4k n LEU 63 Cb 0.40 0.11 -0.05 0.00 0.53 0.00 0.00 43.42 44.41 2k4k n LEU 63 CO 0.62 0.27 0.16 0.00 -1.11 0.00 0.00 177.39 177.33 2k4k s ALA 64 N -2.19 -0.97 -0.01 1.96 0.00 -0.88 -4.87 121.76 114.80 2k4k s ALA 64 Ca -0.05 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.04 2k4k s ALA 64 Cb 0.03 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.68 2k4k s ALA 64 CO 0.31 -0.56 -0.01 0.08 0.00 0.00 0.00 175.76 175.58 2k4k s VAL 65 N -3.18 0.14 -0.42 0.00 1.01 -1.26 -0.87 120.40 115.83 2k4k s VAL 65 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.02 2k4k s VAL 65 Cb 0.01 -0.17 0.20 0.00 0.00 0.00 0.00 36.38 36.42 2k4k s VAL 65 CO -0.07 0.08 0.46 -0.67 0.00 0.00 0.00 175.10 174.89 2k4k n ASP 66 N 3.43 -0.66 0.26 3.32 -0.08 -0.17 -4.99 116.55 117.66 2k4k n ASP 66 Ca -0.18 -2.57 0.17 0.00 -1.51 0.00 0.00 54.79 50.70 2k4k n ASP 66 Cb 0.56 -0.26 0.77 0.00 2.34 0.00 0.00 41.12 44.53 2k4k n ASP 66 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 2k4k h GLU 67 N 4.96 0.00 -0.08 -0.67 4.11 -1.94 0.17 114.58 121.13 2k4k h GLU 67 Ca 0.16 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.46 2k4k h GLU 67 Cb 0.92 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.18 2k4k h GLU 67 CO 0.37 0.00 -0.46 0.93 0.07 0.00 0.00 179.01 179.92 2k4k h GLU 68 N 0.00 0.46 0.00 1.06 5.08 -1.92 -2.94 114.58 116.32 2k4k h GLU 68 Ca 0.00 -0.38 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2k4k h GLU 68 Cb 0.32 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k4k h GLU 68 CO 0.00 1.02 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.48 2k4k h LYS 69 N 0.02 0.00 -0.39 2.33 1.63 -1.87 -3.47 116.57 114.82 2k4k h LYS 69 Ca -0.03 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2k4k h LYS 69 Cb 1.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.74 2k4k h LYS 69 CO 0.09 0.33 0.00 0.41 -3.45 0.00 0.00 179.45 176.83 2k4k n GLY 70 N -0.45 1.02 3.18 5.01 0.00 0.45 -5.10 105.19 109.29 2k4k n GLY 70 Ca -0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.68 0.86 -0.01 1.61 1.02 -0.28 -4.97 119.74 115.29 2k4k s LYS 71 Ca 0.00 -1.21 -0.01 0.00 0.02 0.00 0.00 55.97 54.78 2k4k s LYS 71 Cb 0.00 -0.48 0.01 0.00 -0.52 0.00 0.00 37.83 36.84 2k4k s LYS 71 CO 0.00 0.06 0.02 0.42 -0.92 0.00 0.00 175.35 174.94 2k4k s ILE 72 N -2.71 -0.01 0.03 2.17 1.01 -1.26 -1.00 121.20 119.44 2k4k s ILE 72 Ca 0.07 0.03 0.03 0.00 0.00 0.00 0.00 60.65 60.78 2k4k s ILE 72 Cb -0.01 -0.05 -0.04 0.00 0.01 0.00 0.00 42.46 42.38 2k4k s ILE 72 CO -0.01 0.01 -0.03 -0.44 0.00 0.00 0.00 174.94 174.47 2k4k s SER 73 N 0.14 4.85 0.29 3.58 0.01 -0.05 -1.03 113.70 121.50 2k4k s SER 73 Ca -0.01 -0.13 0.02 0.00 1.31 0.00 0.00 55.95 57.14 2k4k s SER 73 Cb -0.02 -1.16 -0.05 0.00 0.21 0.00 0.00 66.02 65.00 2k4k s SER 73 CO -0.00 0.25 0.10 -0.76 0.41 0.00 0.00 173.24 173.24 2k4k s LEU 74 N -1.75 1.78 0.02 2.44 1.43 -0.46 -0.68 118.68 121.46 2k4k s LEU 74 Ca 0.20 -1.44 -0.08 0.00 -1.03 0.00 0.00 54.13 51.78 2k4k s LEU 74 Cb -0.11 -0.03 0.00 0.00 0.03 0.00 0.00 46.19 46.08 2k4k s LEU 74 CO 0.11 -0.76 0.17 -0.94 0.23 0.00 0.00 176.35 175.17 2k4k s SER 75 N -3.39 0.03 0.00 2.29 1.04 -0.31 -3.58 113.70 109.79 2k4k s SER 75 Ca 0.36 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2k4k s SER 75 Cb 0.07 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2k4k s SER 75 CO 0.15 -0.46 0.00 -0.38 0.98 0.00 0.00 173.24 173.53 2k4k n ILE 76 N 1.06 0.00 0.28 -1.02 2.08 -0.05 -1.71 119.36 120.01 2k4k n ILE 76 Ca -0.21 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.28 2k4k n ILE 76 Cb 0.57 -0.68 0.96 0.00 -0.75 0.00 0.00 39.64 39.75 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 -0.95 0.29 114.38 114.21 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 0.76 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 2k4k h ARG 77 CO 0.00 0.00 -0.14 0.00 0.10 0.00 0.00 179.97 179.93 2k4k h ALA 78 N 1.89 1.05 0.00 0.08 0.00 -1.81 -3.37 119.26 117.10 2k4k h ALA 78 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2k4k h ALA 78 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k4k h ALA 78 CO -0.00 0.18 -1.22 0.25 0.00 0.00 0.00 179.25 178.46 2k4k n THR 79 N -3.34 0.20 -3.24 0.00 -2.24 -0.10 -4.97 114.28 100.60 2k4k n THR 79 Ca -0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 2k4k n THR 79 Cb 0.36 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.06 0.00 -3.95 -0.78 10.64 -0.12 -5.07 117.38 116.04 2k4k n GLN 80 Ca -0.05 0.00 -0.08 0.00 -1.83 0.00 0.00 57.00 55.04 2k4k n GLN 80 Cb 0.54 0.00 -0.09 0.00 -0.86 0.00 0.00 30.24 29.83 2k4k n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k4k s ALA 81 N -1.30 0.05 -0.45 2.61 0.00 -1.26 -4.04 121.76 117.37 2k4k s ALA 81 Ca 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.24 2k4k s ALA 81 Cb 0.00 0.33 0.18 0.00 0.00 0.00 0.00 23.12 23.63 2k4k s ALA 81 CO 0.00 -0.40 0.50 0.00 0.00 0.00 0.00 175.76 175.87 2k4k s ALA 82 N -3.42 -0.12 0.29 0.00 0.00 -1.26 -5.01 121.76 112.23 2k4k s ALA 82 Ca 0.02 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2k4k s ALA 82 Cb 0.04 -2.07 0.62 0.00 0.00 0.00 0.00 23.12 21.70 2k4k s ALA 82 CO -0.08 -2.09 1.80 -1.35 0.00 0.00 0.00 175.76 174.04 2k4k h PRO 83 N 5.42 0.82 -1.90 0.00 0.11 -1.96 -3.42 132.00 131.08 2k4k h PRO 83 Ca 0.18 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.28 2k4k h PRO 83 Cb 1.00 -0.19 -0.22 0.00 0.11 0.00 0.00 31.00 31.70 2k4k h PRO 83 CO 0.21 0.55 0.08 -2.00 -0.21 0.00 0.00 178.00 176.63 2k4k s GLU 84 N -5.92 0.63 0.11 1.05 2.12 -1.26 -4.87 118.70 110.56 2k4k s GLU 84 Ca -0.12 1.14 -0.31 0.00 0.36 0.00 0.00 54.97 56.04 2k4k s GLU 84 Cb 0.23 0.19 -0.08 0.00 0.26 0.00 0.00 34.13 34.73 2k4k s GLU 84 CO 0.80 -0.14 1.49 0.21 -0.54 0.00 0.00 175.26 177.08 2k4k s LYS 85 N 1.70 4.26 0.11 4.30 2.20 0.33 -5.01 119.74 127.64 2k4k s LYS 85 Ca -0.09 2.19 -0.08 0.00 -0.36 0.00 0.00 55.97 57.62 2k4k s LYS 85 Cb -0.05 -3.31 -0.00 0.00 -1.51 0.00 0.00 37.83 32.95 2k4k s LYS 85 CO -0.19 -0.55 0.21 -1.59 -0.36 0.00 0.00 175.35 172.87 2k4k s LYS 86 N 1.51 0.93 0.26 4.03 -2.85 -1.26 -4.92 119.74 117.44 2k4k s LYS 86 Ca 0.68 -1.03 -0.18 0.00 -1.00 0.00 0.00 55.97 54.43 2k4k s LYS 86 Cb -0.39 0.35 0.02 0.00 -2.06 0.00 0.00 37.83 35.75 2k4k s LYS 86 CO 0.30 -0.31 0.62 -2.00 0.10 0.00 0.00 175.35 174.06 2k4k s GLU 87 N -3.90 1.65 0.00 1.78 2.12 -1.26 -5.05 118.70 114.04 2k4k s GLU 87 Ca 0.09 -1.03 0.03 0.00 0.36 0.00 0.00 54.97 54.41 2k4k s GLU 87 Cb 0.05 0.56 0.15 0.00 0.26 0.00 0.00 34.13 35.15 2k4k s GLU 87 CO -0.08 -0.73 0.51 0.43 -0.54 0.00 0.00 175.26 174.85 2k4k n SER 88 N -0.42 0.00 -3.77 -1.70 7.64 -1.26 -4.70 113.62 109.42 2k4k n SER 88 Ca -0.04 -0.56 -0.11 0.00 1.01 0.00 0.00 58.87 59.17 2k4k n SER 88 Cb 0.60 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.74 2k4k n SER 88 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2k4k s LYS 89 N -2.00 0.86 0.75 1.43 -2.85 -1.26 -0.62 119.74 116.05 2k4k s LYS 89 Ca 0.04 -0.67 -0.14 0.00 -1.00 0.00 0.00 55.97 54.19 2k4k s LYS 89 Cb 0.02 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.21 2k4k s LYS 89 CO 0.03 -0.29 1.20 -1.25 0.10 0.00 0.00 175.35 175.15 2k4k s PRO 90 N -3.13 1.99 0.10 1.78 0.04 -1.26 -4.84 135.00 129.69 2k4k s PRO 90 Ca -0.01 1.74 -0.31 0.00 0.04 0.00 0.00 61.00 62.46 2k4k s PRO 90 Cb 0.01 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 2k4k s PRO 90 CO -0.07 -1.94 1.67 0.50 0.04 0.00 0.00 177.00 177.20 2k4k s ARG 91 N -4.01 4.19 0.81 4.56 3.52 -1.26 -5.00 118.95 121.76 2k4k s ARG 91 Ca 0.73 2.39 -0.11 0.00 -0.13 0.00 0.00 55.73 58.61 2k4k s ARG 91 Cb -0.29 -3.50 0.08 0.00 -1.56 0.00 0.00 34.95 29.68 2k4k s ARG 91 CO 0.47 -0.73 1.09 0.15 -0.81 0.00 0.00 175.30 175.47 2k4k s LYS 92 N 2.33 1.97 0.80 5.12 -0.14 -1.26 -4.91 119.74 123.65 2k4k s LYS 92 Ca 0.74 0.87 -0.15 0.00 -1.36 0.00 0.00 55.97 56.07 2k4k s LYS 92 Cb -0.42 -1.89 -0.02 0.00 -1.68 0.00 0.00 37.83 33.82 2k4k s LYS 92 CO 0.33 -1.76 0.41 -2.30 -0.76 0.00 0.00 175.35 171.27 2k4k n PRO 93 N -3.56 0.10 0.14 -1.68 -0.02 -1.26 -4.94 135.00 123.77 2k4k n PRO 93 Ca 0.08 0.07 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 2k4k n PRO 93 Cb 0.55 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 2k4k n PRO 93 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 2k4k h LYS 94 N -0.77 -0.29 -2.24 -0.52 1.57 -1.96 -3.46 116.57 108.90 2k4k h LYS 94 Ca -0.45 0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.29 2k4k h LYS 94 Cb 1.33 0.07 -0.18 0.00 0.08 0.00 0.00 32.23 33.52 2k4k h LYS 94 CO 0.39 -0.14 0.14 0.00 -0.57 0.00 0.00 179.45 179.27 2k4k s ALA 95 N -5.87 -1.64 0.29 3.86 0.00 -1.26 -5.01 121.76 112.13 2k4k s ALA 95 Ca -0.15 1.10 -0.30 0.00 0.00 0.00 0.00 51.96 52.62 2k4k s ALA 95 Cb 0.05 0.12 -0.12 0.00 0.00 0.00 0.00 23.12 23.16 2k4k s ALA 95 CO 0.64 -0.41 1.48 0.00 0.00 0.00 0.00 175.76 177.46 2k4k n ALA 96 N 0.77 1.85 0.00 0.00 0.00 -1.26 -2.13 120.51 119.75 2k4k n ALA 96 Ca -0.19 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2k4k n ALA 96 Cb 0.58 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.67 2k4k n ALA 96 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2k4k n GLN 97 N 1.73 0.00 -0.10 0.00 -0.06 -1.26 -4.61 117.38 113.07 2k4k n GLN 97 Ca 0.08 0.00 -0.12 0.00 -2.00 0.00 0.00 57.00 54.97 2k4k n GLN 97 Cb 0.35 -2.42 0.01 0.00 -4.06 0.00 0.00 30.24 24.11 2k4k n GLN 97 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2k4k h VAL 98 N 0.00 1.28 -4.02 1.69 2.07 -1.96 -3.45 116.25 111.86 2k4k h VAL 98 Ca 0.00 -1.54 -0.54 0.00 0.82 0.00 0.00 66.70 65.43 2k4k h VAL 98 Cb 0.00 1.39 0.13 0.00 -1.52 0.00 0.00 31.29 31.28 2k4k h VAL 98 CO 0.00 0.51 0.63 -0.44 0.02 0.00 0.00 177.57 178.29 2k4k s SER 99 N -6.83 5.54 0.34 0.57 0.01 -0.90 -4.91 113.70 107.52 2k4k s SER 99 Ca -0.10 2.79 0.26 0.00 1.31 0.00 0.00 55.95 60.21 2k4k s SER 99 Cb 0.12 -2.64 1.13 0.00 0.21 0.00 0.00 66.02 64.84 2k4k s SER 99 CO 0.87 -1.39 1.79 1.05 0.41 0.00 0.00 173.24 175.97 2k4k h GLU 100 N 1.80 0.00 -1.64 12.44 9.09 -1.93 -3.21 114.58 131.14 2k4k h GLU 100 Ca -0.51 0.00 -0.45 0.00 0.05 0.00 0.00 59.36 58.45 2k4k h GLU 100 Cb 1.28 0.00 -0.40 0.00 -1.65 0.00 0.00 28.75 27.98 2k4k h GLU 100 CO 0.59 0.00 -1.13 -1.91 0.05 0.00 0.00 179.01 176.61 2k4k n GLU 101 N -2.47 1.35 0.00 1.06 2.13 -1.26 -4.93 120.64 116.53 2k4k n GLU 101 Ca 0.01 -3.52 0.05 0.00 0.66 0.00 0.00 57.16 54.36 2k4k n GLU 101 Cb 0.23 -1.62 0.24 0.00 0.27 0.00 0.00 31.44 30.56 2k4k n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k4k n ALA 102 N 0.07 1.60 -1.09 4.31 0.00 -1.21 -4.76 120.51 119.43 2k4k n ALA 102 Ca 0.21 -0.04 -0.35 0.00 0.00 0.00 0.00 53.44 53.26 2k4k n ALA 102 Cb 0.70 -1.16 0.10 0.00 0.00 0.00 0.00 19.45 19.08 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 -1.32 -0.91 -4.67 0.00 7.64 -1.26 -4.81 113.62 108.29 2k4k n SER 103 Ca 0.04 0.51 -0.33 0.00 1.01 0.00 0.00 58.87 60.10 2k4k n SER 103 Cb 0.09 -1.29 0.13 0.00 -1.01 0.00 0.00 64.21 62.13 2k4k n SER 103 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k4k n THR 104 N -2.96 1.85 -1.40 0.44 -2.24 -1.26 -4.81 114.28 103.91 2k4k n THR 104 Ca 0.10 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 2k4k n THR 104 Cb 0.51 -1.14 0.09 0.00 -2.10 0.00 0.00 70.33 67.69 2k4k n THR 104 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2k4k s PRO 105 N -4.04 2.16 0.27 -0.78 0.04 -1.26 -4.92 135.00 126.48 2k4k s PRO 105 Ca 0.72 1.57 -0.30 0.00 0.04 0.00 0.00 61.00 63.03 2k4k s PRO 105 Cb -0.29 -1.86 -0.13 0.00 0.04 0.00 0.00 34.50 32.27 2k4k s PRO 105 CO 0.52 -1.78 1.47 0.94 0.04 0.00 0.00 177.00 178.20 2k4k n GLN 106 N -2.94 2.33 -1.53 4.56 -0.06 -1.26 -1.31 117.38 117.16 2k4k n GLN 106 Ca 0.12 0.83 -0.16 0.00 -2.00 0.00 0.00 57.00 55.79 2k4k n GLN 106 Cb 0.51 -2.53 -0.06 0.00 -4.06 0.00 0.00 30.24 24.10 2k4k n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k4k n GLY 107 N 1.98 1.33 3.06 1.69 0.00 -1.26 -1.27 105.19 110.72 2k4k n GLY 107 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 2k4k n GLY 107 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2k4k n PHE 108 N -2.17 -1.69 -2.06 1.61 7.35 -0.43 -4.95 117.46 115.12 2k4k n PHE 108 Ca -0.16 0.29 -0.39 0.00 -0.76 0.00 0.00 57.45 56.43 2k4k n PHE 108 Cb 0.52 -2.54 -0.00 0.00 0.35 0.00 0.00 39.48 37.82 2k4k n PHE 108 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 2k4k s ASN 109 N -2.46 6.19 -0.01 -2.13 2.47 -0.39 -4.96 114.94 113.64 2k4k s ASN 109 Ca 0.26 2.60 0.01 0.00 0.42 0.00 0.00 52.86 56.16 2k4k s ASN 109 Cb -0.14 -2.63 0.02 0.00 -1.45 0.00 0.00 41.25 37.05 2k4k s ASN 109 CO 0.32 -0.93 0.78 0.35 -3.72 0.00 0.00 177.10 173.90 2k4k n THR 110 N -0.08 0.24 -3.89 -5.21 -2.24 -1.26 -4.74 114.28 97.11 2k4k n THR 110 Ca 0.05 -0.27 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2k4k n THR 110 Cb 0.44 0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 69.28 2k4k n THR 110 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2k4k s LEU 111 N -0.32 1.24 -0.19 3.22 0.05 -1.26 -4.68 118.68 116.74 2k4k s LEU 111 Ca 0.02 -0.73 -0.29 0.00 0.05 0.00 0.00 54.13 53.19 2k4k s LEU 111 Cb 0.02 1.10 -0.04 0.00 -2.05 0.00 0.00 46.19 45.22 2k4k s LEU 111 CO 0.00 -0.79 1.80 -0.75 -0.55 0.00 0.00 176.35 176.07 2k4k s LYS 112 N -3.90 3.69 0.17 1.48 2.47 0.21 -4.50 119.74 119.36 2k4k s LYS 112 Ca 0.09 1.87 -0.33 0.00 -1.56 0.00 0.00 55.97 56.03 2k4k s LYS 112 Cb 0.04 -4.13 -0.14 0.00 -1.46 0.00 0.00 37.83 32.14 2k4k s LYS 112 CO -0.07 -1.44 1.58 -3.47 0.16 0.00 0.00 175.35 172.11 2k4k n ASP 113 N 9.07 3.18 -4.76 1.43 2.03 -1.26 -4.95 116.55 121.29 2k4k n ASP 113 Ca 0.21 1.09 -0.32 0.00 0.52 0.00 0.00 54.79 56.29 2k4k n ASP 113 Cb 0.45 -1.45 0.08 0.00 -0.72 0.00 0.00 41.12 39.48 2k4k n ASP 113 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k4k s LYS 114 N 0.83 2.33 -1.40 -0.67 -0.14 -1.26 -3.73 119.74 115.69 2k4k s LYS 114 Ca 0.77 1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 56.60 2k4k s LYS 114 Cb -0.66 -1.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.59 2k4k s LYS 114 CO 0.38 -1.59 0.38 -0.11 -0.76 0.00 0.00 175.35 173.65 2k4k n LEU 115 N -3.28 -1.99 -0.02 3.17 0.00 -1.26 -4.88 117.00 108.73 2k4k n LEU 115 Ca 0.10 -1.06 0.02 0.00 0.00 0.00 0.00 56.01 55.06 2k4k n LEU 115 Cb 0.53 -2.11 0.36 0.00 0.00 0.00 0.00 43.42 42.19 2k4k n LEU 115 CO 0.52 0.46 1.08 -0.08 0.00 0.00 0.00 177.39 179.37 2k4k h GLU 116 N -1.86 0.58 -4.39 1.96 4.57 -1.97 -3.44 114.58 110.03 2k4k h GLU 116 Ca -0.64 -0.07 -0.17 0.00 -1.18 0.00 0.00 59.36 57.30 2k4k h GLU 116 Cb 1.38 -0.11 -0.15 0.00 -0.16 0.00 0.00 28.75 29.71 2k4k h GLU 116 CO 0.62 0.46 -0.66 -1.21 -1.18 0.00 0.00 179.01 177.05 2k4k s GLU 117 N -5.33 0.84 0.92 1.92 2.02 -1.26 -5.17 118.70 112.65 2k4k s GLU 117 Ca -0.08 -1.38 -0.10 0.00 0.02 0.00 0.00 54.97 53.43 2k4k s GLU 117 Cb 0.17 0.21 0.15 0.00 0.10 0.00 0.00 34.13 34.75 2k4k s GLU 117 CO 0.75 -0.21 1.12 -1.58 0.02 0.00 0.00 175.26 175.36 2k4k s TRP 118 N -3.99 1.76 0.09 1.61 0.51 -1.26 -5.07 118.94 112.59 2k4k s TRP 118 Ca 0.19 1.68 0.02 0.00 -2.12 0.00 0.00 56.10 55.87 2k4k s TRP 118 Cb 0.08 -3.27 -0.04 0.00 -0.81 0.00 0.00 33.47 29.43 2k4k s TRP 118 CO -0.02 -2.75 -0.08 0.96 -0.51 0.00 0.00 176.95 174.55 2k4k s ILE 119 N -2.68 0.73 0.58 2.03 -4.36 -1.26 -5.11 121.20 111.13 2k4k s ILE 119 Ca 0.66 -1.71 -0.19 0.00 -0.26 0.00 0.00 60.65 59.14 2k4k s ILE 119 Cb -0.22 -1.41 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 2k4k s ILE 119 CO 0.58 -0.71 1.20 -0.70 0.24 0.00 0.00 174.94 175.55 2k4k s GLU 120 N -3.18 3.08 0.40 0.37 2.56 -1.26 -4.94 118.70 115.74 2k4k s GLU 120 Ca 0.06 1.80 0.08 0.00 0.00 0.00 0.00 54.97 56.91 2k4k s GLU 120 Cb 0.01 -1.97 0.85 0.00 2.00 0.00 0.00 34.13 35.01 2k4k s GLU 120 CO -0.03 -1.11 2.02 0.52 -0.56 0.00 0.00 175.26 176.10 2k4k h MET 121 N 1.02 0.58 0.00 4.30 2.86 -1.99 -1.40 114.93 120.30 2k4k h MET 121 Ca -0.50 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.10 2k4k h MET 121 Cb 1.29 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.82 2k4k h MET 121 CO 0.56 0.38 0.00 0.43 1.06 0.00 0.00 176.91 179.34 2k4k n SER 122 N -4.47 0.00 -0.34 1.22 7.64 -1.26 -3.79 113.62 112.61 2k4k n SER 122 Ca 0.07 -0.04 0.02 0.00 1.01 0.00 0.00 58.87 59.92 2k4k n SER 122 Cb 0.16 -0.25 0.05 0.00 -1.01 0.00 0.00 64.21 63.17 2k4k n SER 122 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k4k n ASN 123 N -1.25 0.90 -4.17 6.43 5.15 -0.53 -4.79 115.26 117.00 2k4k n ASN 123 Ca 0.09 -2.04 -0.11 0.00 -0.60 0.00 0.00 54.58 51.92 2k4k n ASN 123 Cb 0.13 -0.20 -0.10 0.00 -0.53 0.00 0.00 39.78 39.08 2k4k n ASN 123 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k4k s ARG 124 N -1.68 0.86 0.57 1.20 3.00 -1.25 -5.03 118.95 116.62 2k4k s ARG 124 Ca 0.07 -1.36 0.27 0.00 0.00 0.00 0.00 55.73 54.72 2k4k s ARG 124 Cb 0.04 -0.16 1.51 0.00 0.00 0.00 0.00 34.95 36.34 2k4k s ARG 124 CO 0.04 -0.05 2.00 -0.22 0.00 0.00 0.00 175.30 177.07 2k4k h LYS 125 N 2.93 0.00 -0.25 3.54 1.63 -1.92 -2.20 116.57 120.30 2k4k h LYS 125 Ca -0.35 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 59.52 2k4k h LYS 125 Cb 1.17 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.79 2k4k h LYS 125 CO 0.64 0.00 0.34 0.22 -3.45 0.00 0.00 179.45 177.20 2k4k h ASP 126 N 0.00 0.00 -2.89 4.20 3.58 -1.94 -3.36 116.42 116.00 2k4k h ASP 126 Ca 0.18 0.00 -0.37 0.00 0.42 0.00 0.00 57.03 57.27 2k4k h ASP 126 Cb 0.88 0.00 -0.38 0.00 1.72 0.00 0.00 39.33 41.55 2k4k h ASP 126 CO -0.00 0.00 -0.68 -0.22 -2.88 0.00 0.00 179.24 175.46 2k4k s LEU 127 N -7.07 0.08 0.13 2.28 2.96 -0.83 -5.10 118.68 111.13 2k4k s LEU 127 Ca -0.04 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.64 2k4k s LEU 127 Cb 0.14 0.10 -0.04 0.00 0.50 0.00 0.00 46.19 46.89 2k4k s LEU 127 CO 0.48 -0.31 0.06 0.27 -1.32 0.00 0.00 176.35 175.53 2k4k s ILE 128 N 2.24 0.10 -0.15 6.68 -4.36 -1.26 -4.43 121.20 120.03 2k4k s ILE 128 Ca 0.04 -1.90 -0.33 0.00 -0.26 0.00 0.00 60.65 58.21 2k4k s ILE 128 Cb -0.15 -2.04 -0.10 0.00 1.25 0.00 0.00 42.46 41.43 2k4k s ILE 128 CO -0.09 -0.46 2.01 1.17 0.24 0.00 0.00 174.94 177.81 2k4k n LYS 129 N -0.10 2.02 0.00 0.37 3.00 -1.26 -5.17 118.16 117.03 2k4k n LYS 129 Ca -0.06 0.69 0.02 0.00 -0.00 0.00 0.00 58.31 58.97 2k4k n LYS 129 Cb 0.64 -2.76 0.14 0.00 0.00 0.00 0.00 35.03 33.04 2k4k n LYS 129 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03