#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n n ASN 2 N 0.00 3.23 0.13 6.12 4.13 -1.26 -4.37 115.26 123.23 2k4n n ASN 2 Ca 0.00 -2.96 0.10 0.00 1.68 0.00 0.00 54.58 53.39 2k4n n ASN 2 Cb 0.00 0.30 0.59 0.00 -1.54 0.00 0.00 39.78 39.13 2k4n n ASN 2 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2k4n h SER 3 N 1.06 0.13 -0.70 6.41 4.64 -1.97 -1.07 113.55 122.05 2k4n h SER 3 Ca -0.37 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.92 2k4n h SER 3 Cb 1.13 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 63.16 2k4n h SER 3 CO 0.62 0.09 0.33 -0.08 -0.87 0.00 0.00 176.83 176.92 2k4n h GLU 4 N 0.15 1.04 -0.28 4.77 4.81 -1.98 0.26 114.58 123.36 2k4n h GLU 4 Ca 0.10 -0.15 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2k4n h GLU 4 Cb 0.21 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2k4n h GLU 4 CO -0.02 0.81 0.03 0.28 -0.73 0.00 0.00 179.01 179.39 2k4n h VAL 5 N 1.03 1.24 -0.84 0.32 2.07 -1.58 -1.15 116.25 117.34 2k4n h VAL 5 Ca 0.25 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.95 2k4n h VAL 5 Cb 0.13 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 2k4n h VAL 5 CO -0.03 0.27 0.55 0.40 0.02 0.00 0.00 177.57 178.78 2k4n h ILE 6 N 0.27 1.19 -0.02 4.57 2.04 -1.12 -1.02 117.51 123.42 2k4n h ILE 6 Ca 0.08 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2k4n h ILE 6 Cb 0.37 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 2k4n h ILE 6 CO 0.01 0.20 -0.44 0.11 0.00 0.00 0.00 178.15 178.03 2k4n h LYS 7 N 1.11 -0.56 -0.75 2.37 1.57 -0.08 0.89 116.57 121.13 2k4n h LYS 7 Ca 0.32 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.20 2k4n h LYS 7 Cb -0.09 0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 2k4n h LYS 7 CO -0.08 -0.37 0.43 0.93 -0.57 0.00 0.00 179.45 179.78 2k4n h GLU 8 N -0.58 0.74 -0.10 3.15 5.08 -0.94 -0.71 114.58 121.22 2k4n h GLU 8 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k4n h GLU 8 Cb 0.66 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k4n h GLU 8 CO -0.34 0.49 0.06 0.35 -1.00 0.00 0.00 179.01 178.57 2k4n h PHE 9 N 0.77 0.13 -0.18 4.33 3.57 -0.62 0.27 116.94 125.21 2k4n h PHE 9 Ca 0.34 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.83 2k4n h PHE 9 Cb 0.23 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 2k4n h PHE 9 CO -0.07 0.12 0.09 -0.07 -2.23 0.00 0.00 178.31 176.15 2k4n h LEU 10 N 0.10 0.24 -0.89 0.59 3.38 -0.38 -1.13 115.31 117.23 2k4n h LEU 10 Ca 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2k4n h LEU 10 Cb 0.03 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2k4n h LEU 10 CO -0.01 0.30 -0.12 -0.33 0.09 0.00 0.00 178.44 178.38 2k4n h GLU 11 N 0.17 0.00 -0.02 1.13 5.08 -1.05 0.16 114.58 120.05 2k4n h GLU 11 Ca 0.06 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 2k4n h GLU 11 Cb 0.13 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.39 2k4n h GLU 11 CO -0.01 0.12 -0.98 0.22 -1.00 0.00 0.00 179.01 177.36 2k4n h ASP 12 N 0.00 0.79 0.30 1.42 3.58 -0.09 -3.11 116.42 119.31 2k4n h ASP 12 Ca -0.00 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.83 2k4n h ASP 12 Cb 0.78 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.59 2k4n h ASP 12 CO 0.02 1.42 -0.18 2.30 -2.88 0.00 0.00 179.24 179.92 2k4n n ILE 13 N -3.83 0.00 -2.67 2.25 -5.35 -0.46 -4.95 119.36 104.36 2k4n n ILE 13 Ca -0.09 -0.09 -0.06 0.00 -0.27 0.00 0.00 62.75 62.23 2k4n n ILE 13 Cb 0.85 0.14 0.02 0.00 -1.74 0.00 0.00 39.64 38.92 2k4n n ILE 13 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k4n n GLY 14 N 1.31 0.44 3.66 3.28 0.00 -0.12 -5.04 105.19 108.73 2k4n n GLY 14 Ca 0.13 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 2k4n n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 15 N -5.05 2.44 0.28 1.61 0.41 0.38 -5.01 118.70 113.76 2k4n s GLU 15 Ca 0.11 -0.93 -0.11 0.00 -0.41 0.00 0.00 54.97 53.63 2k4n s GLU 15 Cb -0.05 -2.46 -0.07 0.00 -1.78 0.00 0.00 34.13 29.77 2k4n s GLU 15 CO 0.20 0.51 0.62 -0.51 -0.49 0.00 0.00 175.26 175.59 2k4n s ASP 16 N -2.45 6.64 -0.05 -0.19 1.11 -1.26 -4.49 116.67 115.98 2k4n s ASP 16 Ca 0.25 1.01 -0.07 0.00 0.18 0.00 0.00 52.55 53.92 2k4n s ASP 16 Cb -0.11 -2.26 0.01 0.00 1.07 0.00 0.00 42.92 41.63 2k4n s ASP 16 CO 0.18 -0.15 0.19 -0.72 1.18 0.00 0.00 175.17 175.85 2k4n s TYR 17 N -1.94 -0.14 -0.77 4.23 -0.85 -1.26 -4.55 117.35 112.07 2k4n s TYR 17 Ca 0.49 0.34 -0.16 0.00 -0.52 0.00 0.00 57.07 57.22 2k4n s TYR 17 Cb -0.11 0.04 0.18 0.00 0.38 0.00 0.00 41.96 42.45 2k4n s TYR 17 CO 0.22 -0.17 0.77 0.42 -1.52 0.00 0.00 175.55 175.27 2k4n s ILE 18 N -0.39 5.33 -0.45 -3.49 -1.09 0.14 -4.95 121.20 116.30 2k4n s ILE 18 Ca -0.05 -2.02 -0.21 0.00 -2.23 0.00 0.00 60.65 56.15 2k4n s ILE 18 Cb -0.03 -4.50 0.03 0.00 -1.58 0.00 0.00 42.46 36.38 2k4n s ILE 18 CO 0.01 -1.09 0.67 -0.70 -1.23 0.00 0.00 174.94 172.60 2k4n s GLU 19 N 1.06 3.28 0.05 2.79 2.12 -1.26 -0.57 118.70 126.16 2k4n s GLU 19 Ca 0.17 -0.39 0.01 0.00 0.36 0.00 0.00 54.97 55.12 2k4n s GLU 19 Cb -0.14 -3.97 0.01 0.00 0.26 0.00 0.00 34.13 30.29 2k4n s GLU 19 CO -0.05 -1.05 0.05 1.28 -0.54 0.00 0.00 175.26 174.94 2k4n n LEU 20 N 6.34 0.00 -4.60 2.70 4.77 0.25 -5.00 117.00 121.46 2k4n n LEU 20 Ca -0.02 -0.22 -0.43 0.00 -0.03 0.00 0.00 56.01 55.32 2k4n n LEU 20 Cb 0.48 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 2k4n n LEU 20 CO 0.55 -0.40 1.05 -1.61 -1.33 0.00 0.00 177.39 175.65 2k4n s GLU 21 N -2.20 3.69 -0.92 3.23 2.02 -1.26 -3.21 118.70 120.05 2k4n s GLU 21 Ca 0.04 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.58 2k4n s GLU 21 Cb -0.00 -3.93 0.00 0.00 0.10 0.00 0.00 34.13 30.30 2k4n s GLU 21 CO 0.02 -1.43 0.00 0.09 0.02 0.00 0.00 175.26 173.97 2k4n n ASN 22 N 7.97 -4.26 -3.75 -0.19 3.02 -1.26 -4.99 115.26 111.80 2k4n n ASN 22 Ca 0.12 0.22 -0.13 0.00 -0.03 0.00 0.00 54.58 54.75 2k4n n ASN 22 Cb 0.49 -2.53 -0.14 0.00 -0.61 0.00 0.00 39.78 36.99 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k4n s GLU 23 N -2.58 0.14 -0.25 3.52 2.02 -1.20 -0.13 118.70 120.22 2k4n s GLU 23 Ca 0.00 0.40 0.01 0.00 0.02 0.00 0.00 54.97 55.40 2k4n s GLU 23 Cb 0.00 -0.12 0.07 0.00 0.10 0.00 0.00 34.13 34.17 2k4n s GLU 23 CO 0.00 -0.15 -0.02 0.42 0.02 0.00 0.00 175.26 175.53 2k4n s ILE 24 N 1.05 1.52 -0.16 -1.63 1.01 0.15 0.85 121.20 123.98 2k4n s ILE 24 Ca -0.08 -1.35 -0.18 0.00 0.00 0.00 0.00 60.65 59.04 2k4n s ILE 24 Cb -0.10 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2k4n s ILE 24 CO -0.06 -0.22 0.48 -1.00 0.00 0.00 0.00 174.94 174.15 2k4n s HIS 25 N 1.37 3.44 0.40 3.97 3.76 0.26 -0.10 115.29 128.40 2k4n s HIS 25 Ca -0.02 0.81 0.07 0.00 -0.15 0.00 0.00 55.06 55.77 2k4n s HIS 25 Cb -0.19 -2.59 -0.07 0.00 1.11 0.00 0.00 32.58 30.84 2k4n s HIS 25 CO -0.08 0.05 0.04 -0.51 -0.85 0.00 0.00 174.74 173.38 2k4n s LEU 26 N 1.09 2.93 0.32 0.89 1.43 0.09 -0.68 118.68 124.75 2k4n s LEU 26 Ca 0.24 -1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 51.79 2k4n s LEU 26 Cb -0.15 -1.06 -0.10 0.00 0.03 0.00 0.00 46.19 44.91 2k4n s LEU 26 CO 0.10 -0.44 1.20 -0.54 0.23 0.00 0.00 176.35 176.90 2k4n s LYS 27 N -3.75 4.44 0.23 1.70 1.02 -1.26 -4.62 119.74 117.50 2k4n s LYS 27 Ca 0.36 2.00 -0.10 0.00 0.02 0.00 0.00 55.97 58.26 2k4n s LYS 27 Cb 0.07 -3.08 0.34 0.00 -0.52 0.00 0.00 37.83 34.65 2k4n s LYS 27 CO 0.19 -0.03 1.64 -1.35 -0.92 0.00 0.00 175.35 174.88 2k4n h PRO 28 N 3.48 0.08 -0.01 -1.68 0.11 -1.95 0.33 132.00 132.36 2k4n h PRO 28 Ca -0.48 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 2k4n h PRO 28 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2k4n h PRO 28 CO 0.66 0.05 -0.70 1.49 -0.21 0.00 0.00 178.00 179.29 2k4n h GLU 29 N 0.08 0.09 -0.15 1.05 4.81 -1.92 -2.30 114.58 116.24 2k4n h GLU 29 Ca 0.36 -0.07 -0.19 0.00 -0.13 0.00 0.00 59.36 59.32 2k4n h GLU 29 Cb 0.59 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.00 2k4n h GLU 29 CO -0.62 0.75 -0.65 0.28 -0.73 0.00 0.00 179.01 178.05 2k4n h VAL 30 N 0.06 1.31 -0.98 0.32 2.07 -1.63 -3.07 116.25 114.33 2k4n h VAL 30 Ca -0.01 -1.89 0.08 0.00 0.82 0.00 0.00 66.70 65.70 2k4n h VAL 30 Cb 1.25 2.03 -0.07 0.00 -1.52 0.00 0.00 31.29 32.98 2k4n h VAL 30 CO 0.10 0.59 0.63 0.15 0.02 0.00 0.00 177.57 179.06 2k4n h PHE 31 N 0.39 1.15 -0.70 1.57 3.57 -0.29 -0.61 116.94 122.02 2k4n h PHE 31 Ca -0.04 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.59 2k4n h PHE 31 Cb 1.28 -0.37 -0.08 0.00 2.79 0.00 0.00 35.95 39.57 2k4n h PHE 31 CO 0.10 0.56 0.32 -0.92 -2.23 0.00 0.00 178.31 176.14 2k4n h TYR 32 N 1.09 0.57 0.03 0.41 3.20 -1.32 0.42 116.97 121.37 2k4n h TYR 32 Ca 0.44 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 62.10 2k4n h TYR 32 Cb 0.27 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.40 2k4n h TYR 32 CO -0.00 0.18 -1.01 0.93 -1.64 0.00 0.00 178.16 176.61 2k4n h GLU 33 N 0.54 0.43 -0.56 1.82 4.39 -1.29 -2.88 114.58 117.03 2k4n h GLU 33 Ca 0.35 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 2k4n h GLU 33 Cb 0.42 0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.20 2k4n h GLU 33 CO -0.30 1.16 -0.10 0.28 -1.16 0.00 0.00 179.01 178.89 2k4n h VAL 34 N 0.22 1.27 -0.52 3.13 2.07 -0.61 0.15 116.25 121.95 2k4n h VAL 34 Ca -0.10 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.21 2k4n h VAL 34 Cb 1.67 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.33 2k4n h VAL 34 CO 0.18 0.45 0.25 -0.25 0.02 0.00 0.00 177.57 178.22 2k4n h TRP 35 N 0.93 0.46 -0.13 1.57 7.01 -0.20 -1.39 115.95 124.21 2k4n h TRP 35 Ca 0.15 0.02 -0.16 0.00 2.11 0.00 0.00 58.89 61.01 2k4n h TRP 35 Cb 0.67 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 2k4n h TRP 35 CO 0.05 0.21 -0.59 0.87 -2.79 0.00 0.00 178.44 176.19 2k4n h LYS 36 N 0.48 0.42 -0.71 2.65 1.57 -1.29 0.05 116.57 119.74 2k4n h LYS 36 Ca 0.24 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2k4n h LYS 36 Cb 0.17 0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.47 2k4n h LYS 36 CO -0.18 0.88 0.44 -0.92 -0.57 0.00 0.00 179.45 179.10 2k4n h TYR 37 N 0.31 0.81 -0.05 -1.35 3.20 0.06 -1.62 116.97 118.34 2k4n h TYR 37 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2k4n h TYR 37 Cb 1.11 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.12 2k4n h TYR 37 CO 0.04 0.45 0.00 1.33 -1.64 0.00 0.00 178.16 178.34 2k4n n VAL 38 N -4.68 0.12 0.00 1.81 0.24 -0.60 -4.77 118.33 110.46 2k4n n VAL 38 Ca 0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.29 2k4n n VAL 38 Cb 0.11 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.32 2k4n n VAL 38 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k4n n GLY 39 N 0.39 0.58 3.06 7.63 0.00 -0.61 -4.61 105.19 111.62 2k4n n GLY 39 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.04 2k4n n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k4n n GLU 40 N -1.62 -1.33 -0.16 1.61 2.13 0.00 -4.97 120.64 116.30 2k4n n GLU 40 Ca 0.00 1.51 0.00 0.00 0.66 0.00 0.00 57.16 59.33 2k4n n GLU 40 Cb 0.00 -5.77 0.00 0.00 0.27 0.00 0.00 31.44 25.94 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 2k4n n PRO 41 N -1.75 1.86 -1.71 5.31 -0.04 -1.26 -5.01 135.00 132.39 2k4n n PRO 41 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.07 2k4n n PRO 41 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2k4n n PRO 41 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k4n n GLU 42 N -0.25 1.76 -3.64 0.54 1.02 -1.26 -4.99 120.64 113.82 2k4n n GLU 42 Ca 0.00 0.64 -0.39 0.00 -0.02 0.00 0.00 57.16 57.38 2k4n n GLU 42 Cb 0.00 -2.46 -0.12 0.00 -0.02 0.00 0.00 31.44 28.84 2k4n n GLU 42 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4n s LEU 43 N -2.50 4.44 -0.07 -4.62 1.43 -1.26 -4.77 118.68 111.33 2k4n s LEU 43 Ca 0.67 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.90 2k4n s LEU 43 Cb -0.46 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2k4n s LEU 43 CO 0.53 -0.31 -0.01 -0.54 0.23 0.00 0.00 176.35 176.25 2k4n s LYS 44 N 1.55 2.91 0.16 1.70 1.02 -0.92 -4.97 119.74 121.19 2k4n s LYS 44 Ca 0.02 -0.46 0.07 0.00 0.02 0.00 0.00 55.97 55.63 2k4n s LYS 44 Cb -0.18 -2.74 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 2k4n s LYS 44 CO 0.06 0.69 -0.14 0.95 -0.92 0.00 0.00 175.35 175.98 2k4n s THR 45 N -0.89 1.54 -0.01 2.17 -4.23 -1.26 0.25 115.64 113.21 2k4n s THR 45 Ca 0.14 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.68 2k4n s THR 45 Cb -0.11 -1.81 0.01 0.00 1.34 0.00 0.00 72.50 71.92 2k4n s THR 45 CO 0.03 -0.51 -0.01 -0.72 -0.54 0.00 0.00 174.62 172.87 2k4n s TYR 46 N -2.58 0.18 -0.26 3.99 1.13 -0.09 -4.98 117.35 114.74 2k4n s TYR 46 Ca 0.16 -0.01 -0.12 0.00 -1.41 0.00 0.00 57.07 55.70 2k4n s TYR 46 Cb -0.03 -0.19 -0.05 0.00 -1.10 0.00 0.00 41.96 40.60 2k4n s TYR 46 CO 0.05 -0.04 0.22 0.08 -2.51 0.00 0.00 175.55 173.35 2k4n s VAL 47 N 0.31 5.30 -0.19 -3.49 1.01 -1.26 -1.35 120.40 120.72 2k4n s VAL 47 Ca -0.03 0.27 -0.07 0.00 0.00 0.00 0.00 61.98 62.15 2k4n s VAL 47 Cb -0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 2k4n s VAL 47 CO -0.01 0.27 0.06 -0.51 0.00 0.00 0.00 175.10 174.91 2k4n s ILE 48 N 1.54 4.68 -0.31 2.22 2.07 0.11 -4.93 121.20 126.58 2k4n s ILE 48 Ca 0.09 -0.07 -0.25 0.00 -1.41 0.00 0.00 60.65 59.02 2k4n s ILE 48 Cb -0.15 -3.11 0.00 0.00 0.13 0.00 0.00 42.46 39.33 2k4n s ILE 48 CO 0.08 0.45 0.85 -0.70 -1.91 0.00 0.00 174.94 173.71 2k4n s GLU 49 N 0.50 3.98 -0.20 3.50 2.56 -1.26 -1.64 118.70 126.13 2k4n s GLU 49 Ca 0.03 0.68 -0.02 0.00 0.00 0.00 0.00 54.97 55.66 2k4n s GLU 49 Cb -0.13 -3.73 0.00 0.00 2.00 0.00 0.00 34.13 32.27 2k4n s GLU 49 CO 0.01 -0.73 -0.10 0.34 -0.56 0.00 0.00 175.26 174.22 2k4n s ASP 50 N 1.63 3.90 -0.28 -1.70 -1.08 0.23 -4.97 116.67 114.40 2k4n s ASP 50 Ca 0.35 -0.47 -0.18 0.00 -0.52 0.00 0.00 52.55 51.73 2k4n s ASP 50 Cb -0.14 -1.65 -0.02 0.00 -1.46 0.00 0.00 42.92 39.66 2k4n s ASP 50 CO 0.13 -0.00 0.51 -0.70 0.52 0.00 0.00 175.17 175.63 2k4n s GLU 51 N 1.34 3.96 -0.67 4.34 2.12 -1.26 -0.33 118.70 128.20 2k4n s GLU 51 Ca 0.04 0.20 -0.27 0.00 0.36 0.00 0.00 54.97 55.30 2k4n s GLU 51 Cb -0.14 -3.69 0.02 0.00 0.26 0.00 0.00 34.13 30.59 2k4n s GLU 51 CO -0.06 -0.42 1.32 0.42 -0.54 0.00 0.00 175.26 175.98 2k4n s ILE 52 N 2.33 3.77 0.29 -3.70 1.01 -0.17 -4.99 121.20 119.74 2k4n s ILE 52 Ca 0.20 0.54 0.10 0.00 0.00 0.00 0.00 60.65 61.50 2k4n s ILE 52 Cb -0.16 -4.74 -0.05 0.00 0.01 0.00 0.00 42.46 37.53 2k4n s ILE 52 CO 0.10 -1.58 -0.03 0.54 0.00 0.00 0.00 174.94 173.97 2k4n s VAL 53 N 5.84 3.04 -0.50 2.92 0.11 -1.26 -3.52 120.40 127.03 2k4n s VAL 53 Ca 0.41 -2.02 -0.23 0.00 -2.93 0.00 0.00 61.98 57.21 2k4n s VAL 53 Cb -0.09 -2.72 0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2k4n s VAL 53 CO 0.19 -0.33 0.86 -1.61 -3.33 0.00 0.00 175.10 170.88 2k4n s GLU 54 N -3.66 3.36 -1.08 1.54 0.41 -1.26 -4.97 118.70 113.04 2k4n s GLU 54 Ca 0.32 -0.22 -0.04 0.00 -0.41 0.00 0.00 54.97 54.62 2k4n s GLU 54 Cb -0.04 -4.00 0.31 0.00 -1.78 0.00 0.00 34.13 28.61 2k4n s GLU 54 CO 0.19 -1.31 1.48 -0.35 -0.49 0.00 0.00 175.26 174.78 2k4n n PRO 55 N 7.06 4.47 0.00 0.39 -0.04 -1.26 -4.54 135.00 141.08 2k4n n PRO 55 Ca 0.02 -4.56 0.00 0.00 -0.04 0.00 0.00 63.50 58.92 2k4n n PRO 55 Cb 0.48 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 2k4n n PRO 55 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4n n GLY 56 N 1.32 0.00 3.76 0.55 0.00 -1.26 -5.05 105.19 104.51 2k4n n GLY 56 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.88 2k4n n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k4n s GLU 57 N -1.25 4.46 0.26 1.61 2.02 -1.26 -4.96 118.70 119.58 2k4n s GLU 57 Ca 0.00 1.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.99 2k4n s GLU 57 Cb 0.00 -3.34 0.35 0.00 0.10 0.00 0.00 34.13 31.24 2k4n s GLU 57 CO 0.00 0.36 1.74 1.88 0.02 0.00 0.00 175.26 179.25 2k4n h TYR 58 N 5.41 0.74 -3.59 1.61 0.05 -1.97 -3.39 116.97 115.83 2k4n h TYR 58 Ca -0.45 -0.13 -0.59 0.00 0.05 0.00 0.00 58.73 57.61 2k4n h TYR 58 Cb 1.20 -0.20 -0.10 0.00 1.01 0.00 0.00 36.73 38.65 2k4n h TYR 58 CO 0.65 0.76 0.61 -0.51 -1.05 0.00 0.00 178.16 178.62 2k4n s ASP 59 N -6.72 6.59 -0.24 3.88 1.11 -1.26 -5.02 116.67 115.01 2k4n s ASP 59 Ca -0.09 0.35 -0.24 0.00 0.18 0.00 0.00 52.55 52.75 2k4n s ASP 59 Cb 0.14 -2.46 -0.01 0.00 1.07 0.00 0.00 42.92 41.66 2k4n s ASP 59 CO 0.81 -0.97 0.80 -2.16 1.18 0.00 0.00 175.17 174.82 2k4n s PRO 60 N 3.66 4.18 -0.08 8.23 0.04 -1.26 -5.02 135.00 144.74 2k4n s PRO 60 Ca 0.38 0.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.01 2k4n s PRO 60 Cb -0.11 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.75 2k4n s PRO 60 CO 0.23 -0.49 1.46 -2.14 0.04 0.00 0.00 177.00 176.10 2k4n s PRO 61 N 2.73 4.22 0.06 0.56 0.02 -1.26 -4.91 135.00 136.43 2k4n s PRO 61 Ca 0.34 1.95 -0.16 0.00 0.02 0.00 0.00 61.00 63.14 2k4n s PRO 61 Cb -0.15 -3.81 -0.16 0.00 0.02 0.00 0.00 34.50 30.40 2k4n s PRO 61 CO 0.08 -0.74 1.28 1.49 -0.33 0.00 0.00 177.00 178.79 2k4n h GLU 62 N 8.68 0.60 -6.36 5.54 4.81 -2.06 -3.42 114.58 122.36 2k4n h GLU 62 Ca -0.34 -0.44 -0.55 0.00 -0.13 0.00 0.00 59.36 57.90 2k4n h GLU 62 Cb 1.15 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2k4n h GLU 62 CO 0.95 1.06 0.66 -1.64 -0.73 0.00 0.00 179.01 179.31 2k4n s MET 63 N -3.85 4.37 -1.02 1.92 -1.94 -1.26 -4.93 119.30 112.60 2k4n s MET 63 Ca -0.12 1.70 -0.23 0.00 -1.71 0.00 0.00 55.69 55.33 2k4n s MET 63 Cb 0.07 -3.50 0.01 0.00 2.01 0.00 0.00 34.83 33.41 2k4n s MET 63 CO 0.84 -0.39 1.70 0.15 -0.01 0.00 0.00 175.02 177.30 2k4n s LYS 64 N 1.90 3.16 0.05 2.03 1.02 -1.26 -4.82 119.74 121.83 2k4n s LYS 64 Ca 0.57 -0.91 -0.27 0.00 0.02 0.00 0.00 55.97 55.38 2k4n s LYS 64 Cb -0.26 -5.26 -0.14 0.00 -0.52 0.00 0.00 37.83 31.65 2k4n s LYS 64 CO 0.24 -2.78 1.41 -0.92 -0.92 0.00 0.00 175.35 172.37 2k4n h TYR 65 N 10.12 -0.96 -3.56 3.18 3.20 -1.91 -3.43 116.97 123.60 2k4n h TYR 65 Ca 0.19 -0.01 -0.50 0.00 3.14 0.00 0.00 58.73 61.55 2k4n h TYR 65 Cb 0.99 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 2k4n h TYR 65 CO 1.27 -0.53 0.03 -0.08 -1.64 0.00 0.00 178.16 177.21 2k4n s THR 66 N -5.10 4.84 -0.65 1.81 -1.32 -1.26 -5.00 115.64 108.95 2k4n s THR 66 Ca -0.14 0.53 -0.27 0.00 -1.21 0.00 0.00 61.69 60.60 2k4n s THR 66 Cb 0.02 -3.70 0.02 0.00 -1.51 0.00 0.00 72.50 67.33 2k4n s THR 66 CO 0.43 -0.37 1.38 0.20 -2.21 0.00 0.00 174.62 174.05 2k4n s ASN 67 N -2.92 6.07 0.28 8.08 0.01 -1.26 -4.97 114.94 120.23 2k4n s ASN 67 Ca 0.50 -0.07 -0.30 0.00 -0.71 0.00 0.00 52.86 52.28 2k4n s ASN 67 Cb -0.10 -2.55 -0.11 0.00 0.41 0.00 0.00 41.25 38.90 2k4n s ASN 67 CO 0.28 -1.83 1.51 0.68 -1.51 0.00 0.00 177.10 176.23 2k4n s VAL 68 N 6.16 2.33 -0.32 1.60 -7.23 -1.26 -4.97 120.40 116.70 2k4n s VAL 68 Ca 0.45 0.28 -0.15 0.00 -1.81 0.00 0.00 61.98 60.76 2k4n s VAL 68 Cb -0.09 -3.18 -0.02 0.00 0.56 0.00 0.00 36.38 33.64 2k4n s VAL 68 CO 0.20 0.05 0.34 -0.75 -0.31 0.00 0.00 175.10 174.63 2k4n s LYS 69 N -0.64 3.69 -0.21 4.82 2.20 -1.23 -4.90 119.74 123.46 2k4n s LYS 69 Ca 0.60 -0.33 -0.12 0.00 -0.36 0.00 0.00 55.97 55.76 2k4n s LYS 69 Cb -0.45 -3.76 -0.05 0.00 -1.51 0.00 0.00 37.83 32.06 2k4n s LYS 69 CO 0.48 -0.44 0.21 0.15 -0.36 0.00 0.00 175.35 175.39 2k4n s LYS 70 N 1.99 4.14 0.04 4.03 1.02 -1.26 -0.99 119.74 128.70 2k4n s LYS 70 Ca 0.12 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.98 2k4n s LYS 70 Cb -0.16 -3.50 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2k4n s LYS 70 CO 0.11 0.12 0.15 0.14 -0.92 0.00 0.00 175.35 174.95 2k4n s VAL 71 N 0.88 5.05 -0.40 3.17 -7.23 0.55 -4.90 120.40 117.50 2k4n s VAL 71 Ca 0.11 -0.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.80 2k4n s VAL 71 Cb -0.13 -3.41 0.11 0.00 0.56 0.00 0.00 36.38 33.51 2k4n s VAL 71 CO 0.04 0.21 0.19 -0.54 -0.31 0.00 0.00 175.10 174.69 2k4n s LYS 72 N -2.23 1.95 -0.08 4.82 1.02 -1.26 -0.60 119.74 123.37 2k4n s LYS 72 Ca 0.30 -1.83 -0.15 0.00 0.02 0.00 0.00 55.97 54.30 2k4n s LYS 72 Cb -0.13 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.59 2k4n s LYS 72 CO 0.22 -1.06 0.39 0.42 -0.92 0.00 0.00 175.35 174.40 2k4n s ILE 73 N 1.11 5.16 -0.31 2.17 1.01 -0.65 -4.90 121.20 124.79 2k4n s ILE 73 Ca 0.09 0.78 -0.00 0.00 0.00 0.00 0.00 60.65 61.51 2k4n s ILE 73 Cb -0.22 -3.71 0.06 0.00 0.01 0.00 0.00 42.46 38.60 2k4n s ILE 73 CO -0.05 0.46 0.01 -0.75 0.00 0.00 0.00 174.94 174.61 2k4n s LYS 74 N -0.20 2.25 0.11 2.79 2.20 -1.26 0.05 119.74 125.68 2k4n s LYS 74 Ca 0.22 -1.41 -0.04 0.00 -0.36 0.00 0.00 55.97 54.38 2k4n s LYS 74 Cb -0.15 -3.17 -0.05 0.00 -1.51 0.00 0.00 37.83 32.94 2k4n s LYS 74 CO 0.10 -0.70 0.34 0.15 -0.36 0.00 0.00 175.35 174.88 2k4n s LYS 75 N 1.17 3.59 -0.00 4.03 -0.14 -0.46 -1.98 119.74 125.95 2k4n s LYS 75 Ca -0.03 -0.13 0.05 0.00 -1.36 0.00 0.00 55.97 54.50 2k4n s LYS 75 Cb -0.20 -2.91 -0.03 0.00 -1.68 0.00 0.00 37.83 33.01 2k4n s LYS 75 CO -0.03 0.52 -0.14 0.54 -0.76 0.00 0.00 175.35 175.48 2k4n s VAL 76 N -1.58 3.11 0.10 3.17 0.11 0.11 -0.91 120.40 124.50 2k4n s VAL 76 Ca 0.38 -0.90 -0.14 0.00 -2.93 0.00 0.00 61.98 58.39 2k4n s VAL 76 Cb -0.12 -2.28 0.02 0.00 -1.53 0.00 0.00 36.38 32.47 2k4n s VAL 76 CO 0.24 0.45 0.33 -0.72 -3.33 0.00 0.00 175.10 172.07 2k4n s TYR 77 N -0.86 -0.10 0.05 1.54 1.13 0.14 -0.60 117.35 118.65 2k4n s TYR 77 Ca 0.14 -0.21 0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2k4n s TYR 77 Cb -0.11 0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.88 2k4n s TYR 77 CO 0.04 -0.63 -0.12 -0.59 -2.51 0.00 0.00 175.55 171.75 2k4n s PHE 78 N -3.58 1.02 -0.13 -3.49 -0.12 -0.89 -2.17 117.98 108.63 2k4n s PHE 78 Ca 0.02 -0.41 -0.06 0.00 -0.05 0.00 0.00 56.93 56.43 2k4n s PHE 78 Cb 0.02 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.78 2k4n s PHE 78 CO -0.10 0.01 0.09 -1.21 -0.05 0.00 0.00 175.22 173.96 2k4n s GLU 79 N -1.38 3.46 0.41 1.99 2.02 -1.26 -0.78 118.70 123.17 2k4n s GLU 79 Ca -0.03 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.72 2k4n s GLU 79 Cb -0.09 -3.12 0.08 0.00 0.10 0.00 0.00 34.13 31.11 2k4n s GLU 79 CO 0.01 0.65 0.56 0.25 0.02 0.00 0.00 175.26 176.76 2k4n n THR 80 N 2.36 0.00 0.18 3.63 -2.24 -0.66 -4.89 114.28 112.66 2k4n n THR 80 Ca -0.19 -0.84 0.06 0.00 -2.27 0.00 0.00 64.05 60.81 2k4n n THR 80 Cb 0.54 -1.16 0.54 0.00 -2.10 0.00 0.00 70.33 68.16 2k4n n THR 80 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k4n h LEU 81 N 0.00 0.14 0.00 3.22 5.85 -1.92 -0.67 115.31 121.93 2k4n h LEU 81 Ca -0.19 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.53 2k4n h LEU 81 Cb 0.67 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2k4n h LEU 81 CO 0.19 0.15 0.00 0.47 -0.34 0.00 0.00 178.44 178.91 2k4n n ASP 82 N -4.47 0.00 -0.85 1.25 9.92 -1.26 -4.86 116.55 116.29 2k4n n ASP 82 Ca -0.01 -0.69 -0.10 0.00 -0.53 0.00 0.00 54.79 53.46 2k4n n ASP 82 Cb 0.12 -0.10 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k4n n ASN 83 N -1.10 -3.88 -4.69 -2.24 3.02 -0.26 -5.00 115.26 101.12 2k4n n ASN 83 Ca 0.20 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.51 2k4n n ASN 83 Cb 0.16 -2.51 -0.05 0.00 -0.61 0.00 0.00 39.78 36.77 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k4n s VAL 84 N -2.39 4.98 -0.46 2.41 1.01 -1.26 -4.75 120.40 119.94 2k4n s VAL 84 Ca 0.00 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.20 2k4n s VAL 84 Cb 0.00 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.35 2k4n s VAL 84 CO 0.00 0.14 0.89 -0.13 0.00 0.00 0.00 175.10 176.00 2k4n s ARG 85 N 1.49 3.50 -0.49 2.72 0.52 0.82 -1.65 118.95 125.85 2k4n s ARG 85 Ca 0.36 0.09 -0.27 0.00 -0.52 0.00 0.00 55.73 55.39 2k4n s ARG 85 Cb -0.17 -3.93 0.03 0.00 0.52 0.00 0.00 34.95 31.40 2k4n s ARG 85 CO 0.15 -1.20 1.04 0.08 0.02 0.00 0.00 175.30 175.39 2k4n s VAL 86 N 3.63 4.30 0.08 3.52 1.01 0.04 0.31 120.40 133.29 2k4n s VAL 86 Ca 0.35 0.89 0.08 0.00 0.00 0.00 0.00 61.98 63.31 2k4n s VAL 86 Cb -0.11 -4.55 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 2k4n s VAL 86 CO 0.25 -1.00 -0.19 -0.69 0.00 0.00 0.00 175.10 173.47 2k4n s VAL 87 N 4.20 2.72 0.26 2.92 1.01 0.85 -2.09 120.40 130.28 2k4n s VAL 87 Ca 0.41 -1.39 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2k4n s VAL 87 Cb -0.09 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 34.13 2k4n s VAL 87 CO 0.28 0.22 0.46 1.07 0.00 0.00 0.00 175.10 177.12 2k4n n THR 88 N 1.18 0.00 -2.93 3.92 5.66 0.24 -0.73 114.28 121.62 2k4n n THR 88 Ca -0.16 -0.88 -0.41 0.00 -3.05 0.00 0.00 64.05 59.56 2k4n n THR 88 Cb 0.52 0.70 -0.04 0.00 -1.55 0.00 0.00 70.33 69.96 2k4n n THR 88 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2k4n s ASP 89 N -2.43 7.06 0.40 1.09 2.15 -1.26 0.05 116.67 123.73 2k4n s ASP 89 Ca 0.14 1.28 0.22 0.00 0.43 0.00 0.00 52.55 54.63 2k4n s ASP 89 Cb -0.02 -2.46 0.47 0.00 -0.30 0.00 0.00 42.92 40.61 2k4n s ASP 89 CO 0.10 -0.22 1.64 0.22 -0.17 0.00 0.00 175.17 176.74 2k4n h TYR 90 N 6.93 0.00 -0.07 -5.34 3.20 -1.69 -0.61 116.97 119.39 2k4n h TYR 90 Ca -0.38 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.43 2k4n h TYR 90 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2k4n h TYR 90 CO 0.67 0.19 -0.19 0.77 -1.64 0.00 0.00 178.16 177.96 2k4n h SER 91 N 0.00 0.28 0.53 -2.11 0.02 -1.93 0.25 113.55 110.59 2k4n h SER 91 Ca -0.00 -0.60 -0.10 0.00 -0.84 0.00 0.00 61.79 60.24 2k4n h SER 91 Cb 1.02 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2k4n h SER 91 CO 0.02 0.84 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.73 2k4n h GLU 92 N -0.26 0.00 -0.10 3.45 4.39 -1.93 -1.32 114.58 118.81 2k4n h GLU 92 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2k4n h GLU 92 Cb 0.81 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2k4n h GLU 92 CO 0.04 0.49 -0.07 0.35 -1.16 0.00 0.00 179.01 178.66 2k4n h PHE 93 N 0.00 0.27 -0.44 4.33 3.57 -1.05 -2.46 116.94 121.17 2k4n h PHE 93 Ca -0.00 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 2k4n h PHE 93 Cb 0.89 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 2k4n h PHE 93 CO 0.00 0.62 0.23 1.96 -2.23 0.00 0.00 178.31 178.89 2k4n h GLN 94 N -0.16 0.59 -0.54 1.11 4.20 -0.89 -1.14 115.11 118.29 2k4n h GLN 94 Ca 0.02 -0.06 0.09 0.00 0.06 0.00 0.00 58.65 58.77 2k4n h GLN 94 Cb 0.56 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.14 2k4n h GLN 94 CO 0.02 0.44 0.12 -0.22 -0.67 0.00 0.00 178.83 178.52 2k4n h LYS 95 N 0.60 0.25 -0.33 1.46 3.64 -1.03 0.39 116.57 121.55 2k4n h LYS 95 Ca 0.16 -0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 2k4n h LYS 95 Cb 0.02 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2k4n h LYS 95 CO -0.03 0.17 -0.33 0.82 -2.27 0.00 0.00 179.45 177.81 2k4n h ILE 96 N 0.26 1.28 -0.15 2.00 2.04 -0.87 -2.49 117.51 119.59 2k4n h ILE 96 Ca 0.28 -1.48 -0.06 0.00 1.00 0.00 0.00 64.86 64.59 2k4n h ILE 96 Cb 0.38 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 2k4n h ILE 96 CO -0.35 0.48 -0.19 -0.07 0.00 0.00 0.00 178.15 178.03 2k4n h LEU 97 N 0.62 0.23 -0.77 1.44 3.38 -0.06 0.50 115.31 120.65 2k4n h LEU 97 Ca 0.06 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2k4n h LEU 97 Cb 0.86 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2k4n h LEU 97 CO 0.08 0.44 0.05 0.11 0.09 0.00 0.00 178.44 179.20 2k4n h LYS 98 N 0.23 0.98 -0.14 1.13 1.57 -0.01 0.13 116.57 120.46 2k4n h LYS 98 Ca 0.04 -0.27 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 2k4n h LYS 98 Cb 0.47 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2k4n h LYS 98 CO 0.03 0.94 -0.42 0.87 -0.57 0.00 0.00 179.45 180.30 2k4n h LYS 99 N 0.92 0.31 -0.26 3.15 1.57 -0.81 -2.82 116.57 118.63 2k4n h LYS 99 Ca 0.18 -0.15 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 2k4n h LYS 99 Cb 0.47 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2k4n h LYS 99 CO 0.02 0.68 -0.54 -0.09 -0.57 0.00 0.00 179.45 178.95 2k4n h ARG 100 N 0.26 0.77 0.00 3.15 2.43 -0.62 -3.48 114.38 116.90 2k4n h ARG 100 Ca 0.02 -0.48 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2k4n h ARG 100 Cb 0.85 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2k4n h ARG 100 CO 0.07 1.11 0.00 0.41 -1.51 0.00 0.00 179.97 180.05 2k4n n GLY 101 N 0.31 1.38 0.21 2.80 0.00 0.31 -5.00 105.19 105.20 2k4n n GLY 101 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 2k4n n GLY 101 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k4n h THR 102 N 0.00 1.00 -0.61 2.61 2.02 -1.46 -2.51 112.91 113.97 2k4n h THR 102 Ca 0.00 -1.02 -0.25 0.00 0.77 0.00 0.00 66.41 65.91 2k4n h THR 102 Cb 0.00 1.58 -0.15 0.00 -1.74 0.00 0.00 68.15 67.84 2k4n h THR 102 CO 0.00 0.27 0.22 0.29 0.37 0.00 0.00 175.52 176.67 2k4n n LYS 103 N -3.93 2.69 -3.46 6.66 5.02 -1.26 -4.68 118.16 119.21 2k4n n LYS 103 Ca -0.02 -3.07 -0.28 0.00 -2.02 0.00 0.00 58.31 52.92 2k4n n LYS 103 Cb 0.35 -2.03 -0.11 0.00 -0.02 0.00 0.00 35.03 33.22 2k4n n LYS 103 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2k4n s LEU 104 N -3.12 1.31 0.00 -0.35 2.96 -0.94 -5.11 118.68 113.43 2k4n s LEU 104 Ca 0.51 -2.57 0.00 0.00 -0.22 0.00 0.00 54.13 51.84 2k4n s LEU 104 Cb 0.43 -0.47 0.00 0.00 0.50 0.00 0.00 46.19 46.64 2k4n s LEU 104 CO 0.08 -0.25 0.00 -0.62 -1.32 0.00 0.00 176.35 174.24 2k4n n GLU 105 N 3.53 -1.37 -3.36 1.98 -0.58 -1.26 -4.41 120.64 115.17 2k4n n GLU 105 Ca 0.19 0.90 -0.44 0.00 -0.42 0.00 0.00 57.16 57.38 2k4n n GLU 105 Cb 0.41 -1.67 -0.00 0.00 -0.57 0.00 0.00 31.44 29.61 2k4n n GLU 105 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2k4n n HIS 106 N -2.83 5.21 -2.92 -0.32 8.25 -1.26 -4.80 115.22 116.55 2k4n n HIS 106 Ca 0.00 -3.92 -0.42 0.00 -0.26 0.00 0.00 57.72 53.12 2k4n n HIS 106 Cb 0.31 -1.67 -0.05 0.00 1.12 0.00 0.00 29.99 29.70 2k4n n HIS 106 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k4n s HIS 107 N -1.32 3.22 0.09 4.41 2.46 -1.26 -4.97 115.29 117.93 2k4n s HIS 107 Ca 0.31 0.89 -0.00 0.00 0.47 0.00 0.00 55.06 56.73 2k4n s HIS 107 Cb -0.10 -3.19 0.02 0.00 -0.13 0.00 0.00 32.58 29.18 2k4n s HIS 107 CO -0.08 -0.53 0.13 0.72 -2.47 0.00 0.00 174.74 172.50 2k4n n HIS 108 N 6.18 -3.43 1.03 3.88 8.25 0.99 -4.98 115.22 127.14 2k4n n HIS 108 Ca 0.04 -0.20 0.12 0.00 -0.26 0.00 0.00 57.72 57.43 2k4n n HIS 108 Cb 0.48 -0.09 0.33 0.00 1.12 0.00 0.00 29.99 31.83 2k4n n HIS 108 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k4n n HIS 109 N -1.66 0.00 -0.06 4.41 -0.00 -1.26 -4.31 115.22 112.34 2k4n n HIS 109 Ca 0.02 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.14 2k4n n HIS 109 Cb 0.07 -0.28 -0.02 0.00 -0.12 0.00 0.00 29.99 29.64 2k4n n HIS 109 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k4n n HIS 110 N -1.41 0.00 -1.46 1.57 8.25 -1.26 -5.37 115.22 115.54 2k4n n HIS 110 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.53 2k4n n HIS 110 Cb 0.33 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56