#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4n s ASN 2 N 0.00 5.21 0.49 3.17 -0.87 -1.26 -4.42 114.94 117.27 2k4n s ASN 2 Ca 0.00 -0.11 0.16 0.00 -1.57 0.00 0.00 52.86 51.34 2k4n s ASN 2 Cb 0.00 -0.74 1.18 0.00 -0.02 0.00 0.00 41.25 41.68 2k4n s ASN 2 CO 0.00 -1.18 2.09 -1.28 -2.57 0.00 0.00 177.10 174.16 2k4n h SER 3 N 0.07 0.00 -0.80 -1.22 0.87 -1.96 -1.91 113.55 108.60 2k4n h SER 3 Ca -0.41 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.28 2k4n h SER 3 Cb 1.29 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 63.16 2k4n h SER 3 CO 0.50 0.07 0.40 -0.08 -0.53 0.00 0.00 176.83 177.19 2k4n h GLU 4 N 0.00 0.58 -0.74 2.24 4.81 -1.99 -0.50 114.58 118.98 2k4n h GLU 4 Ca -0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 2k4n h GLU 4 Cb 0.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2k4n h GLU 4 CO 0.01 0.39 0.30 0.28 -0.73 0.00 0.00 179.01 179.26 2k4n h VAL 5 N 0.60 1.25 -0.31 0.32 2.07 -1.73 -0.53 116.25 117.92 2k4n h VAL 5 Ca 0.43 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2k4n h VAL 5 Cb 0.57 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 2k4n h VAL 5 CO -0.34 0.31 -0.01 0.40 0.02 0.00 0.00 177.57 177.95 2k4n h ILE 6 N 1.06 1.26 -0.50 4.57 2.04 -1.22 -2.67 117.51 122.05 2k4n h ILE 6 Ca 0.25 -0.98 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 2k4n h ILE 6 Cb 0.19 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2k4n h ILE 6 CO -0.02 0.32 0.11 0.11 0.00 0.00 0.00 178.15 178.67 2k4n h LYS 7 N 0.35 0.77 -0.24 2.37 1.57 -0.75 -1.64 116.57 118.99 2k4n h LYS 7 Ca 0.09 -0.15 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2k4n h LYS 7 Cb 0.46 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 2k4n h LYS 7 CO 0.02 0.70 -0.02 0.93 -0.57 0.00 0.00 179.45 180.50 2k4n h GLU 8 N 0.74 0.04 -0.69 3.15 4.39 -0.94 -0.28 114.58 120.99 2k4n h GLU 8 Ca 0.16 -0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.87 2k4n h GLU 8 Cb 0.28 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 2k4n h GLU 8 CO -0.00 0.03 0.45 0.35 -1.16 0.00 0.00 179.01 178.68 2k4n h PHE 9 N 0.05 0.87 -0.14 4.33 3.57 -1.07 0.52 116.94 125.06 2k4n h PHE 9 Ca 0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2k4n h PHE 9 Cb 0.16 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 2k4n h PHE 9 CO -0.21 0.55 0.06 -0.07 -2.23 0.00 0.00 178.31 176.41 2k4n h LEU 10 N 0.93 0.19 -0.78 0.59 3.38 -0.85 -1.46 115.31 117.32 2k4n h LEU 10 Ca 0.25 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k4n h LEU 10 Cb -0.10 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2k4n h LEU 10 CO -0.05 0.30 0.00 -0.33 0.09 0.00 0.00 178.44 178.45 2k4n h GLU 11 N 0.07 0.00 -0.11 1.13 5.08 -0.94 -1.92 114.58 117.89 2k4n h GLU 11 Ca 0.05 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 2k4n h GLU 11 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2k4n h GLU 11 CO -0.00 0.00 -0.31 0.22 -1.00 0.00 0.00 179.01 177.92 2k4n h ASP 12 N 0.00 0.45 1.21 1.42 3.58 -0.46 -3.05 116.42 119.57 2k4n h ASP 12 Ca 0.00 -0.60 0.00 0.00 0.42 0.00 0.00 57.03 56.85 2k4n h ASP 12 Cb 0.72 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k4n h ASP 12 CO 0.00 0.97 0.00 0.16 -2.88 0.00 0.00 179.24 177.49 2k4n h ILE 13 N -0.04 0.00 -0.02 2.25 3.07 -1.18 -3.47 117.51 118.12 2k4n h ILE 13 Ca -0.01 -0.53 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2k4n h ILE 13 Cb 0.93 1.46 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2k4n h ILE 13 CO 0.07 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.78 2k4n n GLY 14 N 0.43 1.11 3.69 0.16 0.00 -0.81 -5.08 105.19 104.68 2k4n n GLY 14 Ca 0.02 -0.48 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 2k4n n GLY 14 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k4n s GLU 15 N -2.64 2.15 0.19 1.61 2.12 -0.79 -5.02 118.70 116.32 2k4n s GLU 15 Ca 0.00 -1.83 0.08 0.00 0.36 0.00 0.00 54.97 53.58 2k4n s GLU 15 Cb 0.00 -1.93 -0.04 0.00 0.26 0.00 0.00 34.13 32.42 2k4n s GLU 15 CO 0.00 -0.01 -0.06 0.34 -0.54 0.00 0.00 175.26 174.99 2k4n s ASP 16 N -3.82 4.44 0.07 -1.70 2.15 -1.26 -4.23 116.67 112.32 2k4n s ASP 16 Ca 0.38 -0.53 0.07 0.00 0.43 0.00 0.00 52.55 52.90 2k4n s ASP 16 Cb 0.03 -0.82 -0.03 0.00 -0.30 0.00 0.00 42.92 41.80 2k4n s ASP 16 CO 0.21 0.09 -0.20 -0.72 -0.17 0.00 0.00 175.17 174.38 2k4n s TYR 17 N -1.78 1.71 -0.82 -5.34 1.13 -1.26 -5.01 117.35 105.98 2k4n s TYR 17 Ca 0.26 -0.40 -0.20 0.00 -1.41 0.00 0.00 57.07 55.33 2k4n s TYR 17 Cb -0.09 -0.98 0.11 0.00 -1.10 0.00 0.00 41.96 39.90 2k4n s TYR 17 CO 0.17 0.14 1.06 0.42 -2.51 0.00 0.00 175.55 174.82 2k4n s ILE 18 N -0.99 4.58 -0.33 -3.49 1.01 -1.19 -5.00 121.20 115.78 2k4n s ILE 18 Ca 0.06 -1.11 -0.14 0.00 0.00 0.00 0.00 60.65 59.46 2k4n s ILE 18 Cb -0.09 -4.74 -0.02 0.00 0.01 0.00 0.00 42.46 37.62 2k4n s ILE 18 CO 0.03 -1.48 0.29 -0.70 0.00 0.00 0.00 174.94 173.08 2k4n s GLU 19 N 3.21 3.62 0.37 2.79 2.12 -1.26 -1.07 118.70 128.47 2k4n s GLU 19 Ca 0.28 -0.47 0.03 0.00 0.36 0.00 0.00 54.97 55.17 2k4n s GLU 19 Cb -0.10 -3.78 0.03 0.00 0.26 0.00 0.00 34.13 30.54 2k4n s GLU 19 CO -0.02 -0.43 0.23 1.28 -0.54 0.00 0.00 175.26 175.78 2k4n n LEU 20 N 5.22 0.00 -4.60 2.70 4.77 0.18 -5.01 117.00 120.26 2k4n n LEU 20 Ca -0.11 -1.96 -0.43 0.00 -0.03 0.00 0.00 56.01 53.48 2k4n n LEU 20 Cb 0.50 0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.58 2k4n n LEU 20 CO 0.38 -0.45 1.36 -0.70 -1.33 0.00 0.00 177.39 176.64 2k4n s GLU 21 N -3.47 3.45 -0.77 3.23 2.56 -1.26 -2.77 118.70 119.67 2k4n s GLU 21 Ca 0.18 1.10 0.00 0.00 0.00 0.00 0.00 54.97 56.25 2k4n s GLU 21 Cb -0.01 -4.10 0.00 0.00 2.00 0.00 0.00 34.13 32.01 2k4n s GLU 21 CO 0.11 -1.72 0.00 0.09 -0.56 0.00 0.00 175.26 173.19 2k4n n ASN 22 N 9.49 -4.86 -3.67 -1.70 4.13 -1.26 -4.96 115.26 112.43 2k4n n ASN 22 Ca 0.19 0.18 -0.24 0.00 1.68 0.00 0.00 54.58 56.39 2k4n n ASN 22 Cb 0.48 -3.00 -0.17 0.00 -1.54 0.00 0.00 39.78 35.54 2k4n n ASN 22 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 2k4n s GLU 23 N -2.30 0.21 -0.31 3.52 2.02 -1.11 0.14 118.70 120.86 2k4n s GLU 23 Ca 0.00 0.00 -0.06 0.00 0.02 0.00 0.00 54.97 54.93 2k4n s GLU 23 Cb 0.00 -1.43 0.03 0.00 0.10 0.00 0.00 34.13 32.83 2k4n s GLU 23 CO 0.00 -0.53 0.07 0.42 0.02 0.00 0.00 175.26 175.24 2k4n s ILE 24 N 2.07 3.70 -0.31 -1.63 1.01 -0.19 0.48 121.20 126.32 2k4n s ILE 24 Ca 0.03 -0.99 -0.13 0.00 0.00 0.00 0.00 60.65 59.55 2k4n s ILE 24 Cb -0.15 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2k4n s ILE 24 CO -0.07 -0.05 0.29 -1.00 0.00 0.00 0.00 174.94 174.11 2k4n s HIS 25 N 1.42 3.22 0.46 3.97 3.76 -0.23 -0.60 115.29 127.29 2k4n s HIS 25 Ca -0.00 0.03 0.06 0.00 -0.15 0.00 0.00 55.06 54.99 2k4n s HIS 25 Cb -0.18 -2.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.95 2k4n s HIS 25 CO 0.02 -0.31 0.17 -0.51 -0.85 0.00 0.00 174.74 173.26 2k4n s LEU 26 N 1.88 2.85 0.34 0.89 1.43 -1.00 -3.19 118.68 121.88 2k4n s LEU 26 Ca 0.09 -1.26 -0.17 0.00 -1.03 0.00 0.00 54.13 51.77 2k4n s LEU 26 Cb -0.17 -1.19 -0.09 0.00 0.03 0.00 0.00 46.19 44.77 2k4n s LEU 26 CO 0.11 -0.71 0.78 -0.54 0.23 0.00 0.00 176.35 176.22 2k4n s LYS 27 N -3.95 4.07 0.28 1.70 1.02 -1.26 -4.67 119.74 116.92 2k4n s LYS 27 Ca 0.32 0.78 0.02 0.00 0.02 0.00 0.00 55.97 57.11 2k4n s LYS 27 Cb 0.03 -2.40 0.62 0.00 -0.52 0.00 0.00 37.83 35.55 2k4n s LYS 27 CO 0.18 0.13 1.76 -1.35 -0.92 0.00 0.00 175.35 175.15 2k4n h PRO 28 N 2.25 0.64 -0.35 -1.68 0.11 -1.95 0.22 132.00 131.24 2k4n h PRO 28 Ca -0.48 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 2k4n h PRO 28 Cb 1.18 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2k4n h PRO 28 CO 0.64 0.42 0.03 0.93 -0.21 0.00 0.00 178.00 179.82 2k4n h GLU 29 N 0.66 0.59 -0.34 1.05 3.07 -1.95 -1.57 114.58 116.08 2k4n h GLU 29 Ca 0.51 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 2k4n h GLU 29 Cb 0.77 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.60 2k4n h GLU 29 CO -0.38 0.68 0.07 0.28 -1.40 0.00 0.00 179.01 178.26 2k4n h VAL 30 N 0.41 1.23 -1.00 3.13 2.07 -1.68 -2.96 116.25 117.46 2k4n h VAL 30 Ca 0.10 -0.79 0.05 0.00 0.82 0.00 0.00 66.70 66.88 2k4n h VAL 30 Cb 0.39 1.09 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2k4n h VAL 30 CO 0.01 0.27 0.65 0.15 0.02 0.00 0.00 177.57 178.67 2k4n h PHE 31 N 0.40 1.21 -0.78 1.57 3.57 -0.50 -0.46 116.94 121.94 2k4n h PHE 31 Ca 0.11 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.69 2k4n h PHE 31 Cb 0.33 -0.40 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 2k4n h PHE 31 CO 0.02 0.67 0.48 -0.92 -2.23 0.00 0.00 178.31 176.33 2k4n h TYR 32 N 1.22 0.89 0.03 0.41 3.20 -1.12 0.23 116.97 121.84 2k4n h TYR 32 Ca 0.41 0.03 -0.26 0.00 3.14 0.00 0.00 58.73 62.05 2k4n h TYR 32 Cb 0.07 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 38.08 2k4n h TYR 32 CO -0.00 0.46 -1.02 0.93 -1.64 0.00 0.00 178.16 176.90 2k4n h GLU 33 N 0.89 0.63 -0.16 1.82 5.08 -1.26 -3.18 114.58 118.41 2k4n h GLU 33 Ca 0.34 -0.72 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2k4n h GLU 33 Cb 0.13 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2k4n h GLU 33 CO -0.16 1.31 -0.20 0.28 -1.00 0.00 0.00 179.01 179.24 2k4n h VAL 34 N 0.27 1.22 -0.20 3.13 2.07 -0.86 -1.75 116.25 120.12 2k4n h VAL 34 Ca -0.14 -0.99 0.05 0.00 0.82 0.00 0.00 66.70 66.45 2k4n h VAL 34 Cb 1.69 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.71 2k4n h VAL 34 CO 0.20 0.30 -0.19 -0.25 0.02 0.00 0.00 177.57 177.65 2k4n h TRP 35 N 0.24 -0.48 0.00 1.57 7.01 -0.52 0.69 115.95 124.47 2k4n h TRP 35 Ca 0.04 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.96 2k4n h TRP 35 Cb 0.49 0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.78 2k4n h TRP 35 CO 0.01 -0.26 -0.55 0.87 -2.79 0.00 0.00 178.44 175.72 2k4n h LYS 36 N -0.20 0.00 -0.30 2.65 1.57 -1.57 0.87 116.57 119.59 2k4n h LYS 36 Ca 0.12 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 2k4n h LYS 36 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 2k4n h LYS 36 CO -0.32 0.55 -0.13 -0.92 -0.57 0.00 0.00 179.45 178.05 2k4n h TYR 37 N 0.00 0.56 -0.36 -1.35 3.20 -0.38 -2.13 116.97 116.51 2k4n h TYR 37 Ca -0.01 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.77 2k4n h TYR 37 Cb 1.23 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2k4n h TYR 37 CO 0.00 0.64 0.00 1.33 -1.64 0.00 0.00 178.16 178.49 2k4n n VAL 38 N -4.19 0.48 0.00 1.81 0.24 0.14 -4.86 118.33 111.95 2k4n n VAL 38 Ca 0.01 -0.49 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 2k4n n VAL 38 Cb 0.33 0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 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 1.08 1.03 3.40 7.63 0.00 -0.80 -4.66 105.19 112.87 2k4n n GLY 39 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.93 -1.66 -2.78 1.61 2.13 0.29 -4.98 120.64 113.33 2k4n n GLU 40 Ca 0.00 1.28 -0.25 0.00 0.66 0.00 0.00 57.16 58.85 2k4n n GLU 40 Cb 0.00 -3.72 0.01 0.00 0.27 0.00 0.00 31.44 28.01 2k4n n GLU 40 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2k4n s PRO 41 N -3.63 3.10 -0.44 5.31 0.04 -1.26 -5.02 135.00 133.10 2k4n s PRO 41 Ca 0.10 -0.25 -0.28 0.00 0.04 0.00 0.00 61.00 60.61 2k4n s PRO 41 Cb -0.02 -2.45 -0.01 0.00 0.04 0.00 0.00 34.50 32.06 2k4n s PRO 41 CO 0.83 -0.38 1.66 -1.21 0.04 0.00 0.00 177.00 177.95 2k4n s GLU 42 N -4.70 3.24 0.42 4.56 2.02 -1.26 -4.96 118.70 118.02 2k4n s GLU 42 Ca 0.50 0.99 -0.23 0.00 0.02 0.00 0.00 54.97 56.24 2k4n s GLU 42 Cb -0.10 -4.18 -0.08 0.00 0.10 0.00 0.00 34.13 29.86 2k4n s GLU 42 CO 0.41 -1.98 1.09 -0.51 0.02 0.00 0.00 175.26 174.28 2k4n s LEU 43 N 6.87 4.08 0.07 1.80 1.43 -1.26 -5.03 118.68 126.64 2k4n s LEU 43 Ca 0.69 2.12 -0.21 0.00 -1.03 0.00 0.00 54.13 55.69 2k4n s LEU 43 Cb -0.16 -4.23 -0.07 0.00 0.03 0.00 0.00 46.19 41.76 2k4n s LEU 43 CO 0.29 -0.65 0.63 -0.54 0.23 0.00 0.00 176.35 176.31 2k4n s LYS 44 N -2.62 4.31 -0.06 1.70 1.02 -0.43 -4.93 119.74 118.74 2k4n s LYS 44 Ca 0.60 0.83 0.03 0.00 0.02 0.00 0.00 55.97 57.46 2k4n s LYS 44 Cb -0.24 -3.28 0.01 0.00 -0.52 0.00 0.00 37.83 33.80 2k4n s LYS 44 CO 0.29 0.54 -0.14 0.95 -0.92 0.00 0.00 175.35 176.08 2k4n s THR 45 N -0.83 1.22 0.05 2.17 -4.23 -1.26 -0.04 115.64 112.71 2k4n s THR 45 Ca 0.31 -0.56 0.09 0.00 -1.18 0.00 0.00 61.69 60.35 2k4n s THR 45 Cb -0.20 -1.09 -0.03 0.00 1.34 0.00 0.00 72.50 72.52 2k4n s THR 45 CO 0.20 0.37 -0.25 -0.72 -0.54 0.00 0.00 174.62 173.68 2k4n s TYR 46 N 0.40 2.37 -0.51 3.99 1.13 -0.07 -4.92 117.35 119.74 2k4n s TYR 46 Ca -0.10 -0.38 -0.19 0.00 -1.41 0.00 0.00 57.07 54.98 2k4n s TYR 46 Cb -0.14 -1.40 0.06 0.00 -1.10 0.00 0.00 41.96 39.38 2k4n s TYR 46 CO 0.03 0.16 0.65 0.08 -2.51 0.00 0.00 175.55 173.96 2k4n s VAL 47 N -0.84 4.84 -0.17 -3.49 1.01 -1.26 -1.06 120.40 119.44 2k4n s VAL 47 Ca 0.12 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 2k4n s VAL 47 Cb -0.10 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2k4n s VAL 47 CO 0.03 -0.85 0.02 -0.51 0.00 0.00 0.00 175.10 173.79 2k4n s ILE 48 N 2.72 4.45 -0.52 2.22 2.07 -0.03 -4.88 121.20 127.23 2k4n s ILE 48 Ca 0.16 -0.16 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 2k4n s ILE 48 Cb -0.19 -2.98 0.04 0.00 0.13 0.00 0.00 42.46 39.46 2k4n s ILE 48 CO 0.12 0.48 0.82 -1.61 -1.91 0.00 0.00 174.94 172.85 2k4n s GLU 49 N 0.28 3.29 -0.41 3.50 2.02 -1.26 -0.19 118.70 125.93 2k4n s GLU 49 Ca 0.01 -0.39 -0.20 0.00 0.02 0.00 0.00 54.97 54.42 2k4n s GLU 49 Cb -0.13 -4.04 0.02 0.00 0.10 0.00 0.00 34.13 30.08 2k4n s GLU 49 CO 0.01 -1.33 0.59 0.34 0.02 0.00 0.00 175.26 174.88 2k4n s ASP 50 N 2.64 6.31 -0.91 -0.19 -1.08 0.70 -4.70 116.67 119.44 2k4n s ASP 50 Ca 0.26 -0.31 -0.24 0.00 -0.52 0.00 0.00 52.55 51.75 2k4n s ASP 50 Cb -0.14 -2.29 0.05 0.00 -1.46 0.00 0.00 42.92 39.08 2k4n s ASP 50 CO 0.18 -0.68 1.34 -1.61 0.52 0.00 0.00 175.17 174.92 2k4n s GLU 51 N 2.62 3.45 0.52 4.34 2.02 -1.25 -1.45 118.70 128.95 2k4n s GLU 51 Ca 0.20 -0.91 0.25 0.00 0.02 0.00 0.00 54.97 54.54 2k4n s GLU 51 Cb -0.15 -4.91 1.45 0.00 0.10 0.00 0.00 34.13 30.62 2k4n s GLU 51 CO 0.17 -2.13 2.10 0.97 0.02 0.00 0.00 175.26 176.39 2k4n h ILE 52 N 6.44 0.66 -3.22 -1.63 6.09 -1.82 -3.40 117.51 120.62 2k4n h ILE 52 Ca 0.03 -0.43 -0.58 0.00 -1.37 0.00 0.00 64.86 62.51 2k4n h ILE 52 Cb 1.03 1.27 -0.35 0.00 0.47 0.00 0.00 36.82 39.23 2k4n h ILE 52 CO 1.34 0.10 -0.83 0.54 -3.07 0.00 0.00 178.15 176.23 2k4n s VAL 53 N -4.37 1.43 -0.29 2.19 0.11 -1.26 -5.02 120.40 113.18 2k4n s VAL 53 Ca -0.03 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.42 2k4n s VAL 53 Cb 0.14 -1.33 0.09 0.00 -1.53 0.00 0.00 36.38 33.75 2k4n s VAL 53 CO 0.60 0.43 0.08 -1.61 -3.33 0.00 0.00 175.10 171.27 2k4n s GLU 54 N 1.20 0.74 -0.03 1.54 2.02 -1.26 -3.97 118.70 118.93 2k4n s GLU 54 Ca -0.02 -0.99 -0.30 0.00 0.02 0.00 0.00 54.97 53.67 2k4n s GLU 54 Cb -0.14 -2.02 -0.06 0.00 0.10 0.00 0.00 34.13 32.01 2k4n s GLU 54 CO -0.05 -0.93 1.72 -2.14 0.02 0.00 0.00 175.26 173.88 2k4n s PRO 55 N 1.64 4.17 0.00 0.39 0.02 -1.26 -4.79 135.00 135.17 2k4n s PRO 55 Ca 0.08 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.38 2k4n s PRO 55 Cb -0.17 -4.01 0.00 0.00 0.02 0.00 0.00 34.50 30.34 2k4n s PRO 55 CO -0.23 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 175.99 2k4n n GLY 56 N 4.21 0.00 0.18 0.52 0.00 -1.26 -4.88 105.19 103.96 2k4n n GLY 56 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 2k4n n GLY 56 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k4n h GLU 57 N 0.00 -0.39 -4.90 1.61 5.08 -2.08 -3.47 114.58 110.42 2k4n h GLU 57 Ca 0.00 0.03 -0.36 0.00 -1.00 0.00 0.00 59.36 58.03 2k4n h GLU 57 Cb 0.22 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 29.41 2k4n h GLU 57 CO 0.00 -0.26 -0.61 0.71 -1.00 0.00 0.00 179.01 177.85 2k4n s TYR 58 N -2.96 1.56 -0.61 4.33 2.02 -1.26 -5.12 117.35 115.30 2k4n s TYR 58 Ca -0.06 -1.19 0.05 0.00 -0.37 0.00 0.00 57.07 55.50 2k4n s TYR 58 Cb 0.01 -0.91 0.17 0.00 -0.40 0.00 0.00 41.96 40.82 2k4n s TYR 58 CO 0.18 -0.34 0.43 0.34 -1.57 0.00 0.00 175.55 174.60 2k4n s ASP 59 N -3.33 3.95 0.21 2.29 2.15 -1.26 -4.66 116.67 116.03 2k4n s ASP 59 Ca 0.38 -3.57 -0.09 0.00 0.43 0.00 0.00 52.55 49.69 2k4n s ASP 59 Cb 0.08 -1.33 0.20 0.00 -0.30 0.00 0.00 42.92 41.57 2k4n s ASP 59 CO 0.14 -0.12 1.86 -0.65 -0.17 0.00 0.00 175.17 176.23 2k4n h PRO 60 N 5.57 0.91 0.00 4.34 0.11 -1.99 -3.01 132.00 137.94 2k4n h PRO 60 Ca 0.16 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2k4n h PRO 60 Cb 0.81 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.71 2k4n h PRO 60 CO 0.62 0.60 0.00 -2.30 -0.21 0.00 0.00 178.00 176.72 2k4n n PRO 61 N -4.62 0.06 0.28 1.05 -0.02 -1.26 -1.65 135.00 128.85 2k4n n PRO 61 Ca 0.08 0.13 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2k4n n PRO 61 Cb 0.07 -1.50 0.83 0.00 -0.02 0.00 0.00 33.50 32.88 2k4n n PRO 61 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2k4n h GLU 62 N 0.00 0.00 0.00 -0.52 4.81 -1.87 0.70 114.58 117.70 2k4n h GLU 62 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2k4n h GLU 62 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k4n h GLU 62 CO 0.00 0.01 0.00 0.52 -0.73 0.00 0.00 179.01 178.81 2k4n h MET 63 N 0.00 0.00 0.00 1.92 2.86 -1.57 -3.44 114.93 114.70 2k4n h MET 63 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k4n h MET 63 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 2k4n h MET 63 CO 0.00 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.60 2k4n n LYS 64 N -2.80 3.44 -0.06 1.72 5.02 0.24 -5.06 118.16 120.65 2k4n n LYS 64 Ca 0.00 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.33 2k4n n LYS 64 Cb 0.21 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.30 2k4n n LYS 64 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2k4n n TYR 65 N 0.00 0.17 -3.64 2.13 4.01 -1.26 -4.88 117.16 113.70 2k4n n TYR 65 Ca 0.00 -0.24 -0.28 0.00 -0.16 0.00 0.00 57.90 57.22 2k4n n TYR 65 Cb 0.00 -0.02 -0.16 0.00 -0.31 0.00 0.00 39.34 38.86 2k4n n TYR 65 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2k4n s THR 66 N -0.84 0.21 -0.05 -0.72 2.01 -1.26 -5.00 115.64 110.00 2k4n s THR 66 Ca 0.13 -0.64 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 2k4n s THR 66 Cb 0.08 -0.99 -0.31 0.00 0.01 0.00 0.00 72.50 71.29 2k4n s THR 66 CO 0.11 -0.47 0.74 0.78 -0.69 0.00 0.00 174.62 175.09 2k4n h ASN 67 N 8.32 0.59 -4.15 3.53 4.21 -1.90 -3.45 115.58 122.73 2k4n h ASN 67 Ca -0.17 -0.92 -0.69 0.00 1.21 0.00 0.00 56.30 55.74 2k4n h ASN 67 Cb 1.08 -0.19 -0.24 0.00 -1.12 0.00 0.00 38.32 37.84 2k4n h ASN 67 CO 0.38 1.67 -0.85 0.68 -1.29 0.00 0.00 177.43 178.02 2k4n s VAL 68 N -2.53 2.38 -0.32 2.81 -7.23 -1.26 -4.58 120.40 109.67 2k4n s VAL 68 Ca -0.15 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 58.64 2k4n s VAL 68 Cb 0.04 -1.97 0.05 0.00 0.56 0.00 0.00 36.38 35.07 2k4n s VAL 68 CO 0.85 0.33 0.04 -0.75 -0.31 0.00 0.00 175.10 175.25 2k4n s LYS 69 N -1.40 2.41 -0.48 4.82 2.20 -1.25 -5.01 119.74 121.03 2k4n s LYS 69 Ca 0.13 -1.31 -0.25 0.00 -0.36 0.00 0.00 55.97 54.18 2k4n s LYS 69 Cb -0.10 -3.26 0.03 0.00 -1.51 0.00 0.00 37.83 32.99 2k4n s LYS 69 CO 0.04 -0.67 0.94 0.15 -0.36 0.00 0.00 175.35 175.44 2k4n s LYS 70 N 1.26 3.49 -0.25 4.03 1.02 -1.26 -2.17 119.74 125.85 2k4n s LYS 70 Ca -0.03 0.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.90 2k4n s LYS 70 Cb -0.20 -3.96 -0.04 0.00 -0.52 0.00 0.00 37.83 33.11 2k4n s LYS 70 CO -0.01 -1.30 0.27 0.14 -0.92 0.00 0.00 175.35 173.53 2k4n s VAL 71 N 3.84 5.27 -0.59 3.17 -7.23 -0.53 -4.80 120.40 119.53 2k4n s VAL 71 Ca 0.36 0.38 -0.28 0.00 -1.81 0.00 0.00 61.98 60.63 2k4n s VAL 71 Cb -0.10 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.25 2k4n s VAL 71 CO 0.25 0.26 1.42 -0.54 -0.31 0.00 0.00 175.10 176.18 2k4n s LYS 72 N 1.52 3.25 -0.26 4.82 1.02 -1.26 -0.22 119.74 128.61 2k4n s LYS 72 Ca 0.11 0.37 -0.05 0.00 0.02 0.00 0.00 55.97 56.42 2k4n s LYS 72 Cb -0.15 -4.15 0.00 0.00 -0.52 0.00 0.00 37.83 33.02 2k4n s LYS 72 CO 0.08 -2.01 0.02 0.42 -0.92 0.00 0.00 175.35 172.94 2k4n s ILE 73 N 6.19 3.68 -0.90 2.17 1.01 0.73 -4.92 121.20 129.16 2k4n s ILE 73 Ca 0.51 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 60.34 2k4n s ILE 73 Cb -0.10 -2.81 0.11 0.00 0.01 0.00 0.00 42.46 39.66 2k4n s ILE 73 CO 0.23 0.23 1.16 -0.75 0.00 0.00 0.00 174.94 175.81 2k4n s LYS 74 N 1.48 3.51 0.41 2.79 2.20 -1.26 -0.85 119.74 128.02 2k4n s LYS 74 Ca 0.04 -1.47 -0.01 0.00 -0.36 0.00 0.00 55.97 54.16 2k4n s LYS 74 Cb -0.16 -4.87 -0.03 0.00 -1.51 0.00 0.00 37.83 31.26 2k4n s LYS 74 CO -0.00 -1.86 0.64 0.15 -0.36 0.00 0.00 175.35 173.92 2k4n s LYS 75 N 3.36 3.41 0.02 4.03 1.02 -0.22 -4.31 119.74 127.05 2k4n s LYS 75 Ca 0.33 -0.21 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2k4n s LYS 75 Cb -0.06 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 2k4n s LYS 75 CO -0.06 -0.05 -0.15 0.54 -0.92 0.00 0.00 175.35 174.71 2k4n s VAL 76 N -2.49 2.98 0.17 3.17 0.11 -0.82 -0.89 120.40 122.63 2k4n s VAL 76 Ca 0.44 -1.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.28 2k4n s VAL 76 Cb -0.10 -2.25 0.03 0.00 -1.53 0.00 0.00 36.38 32.53 2k4n s VAL 76 CO 0.39 0.39 0.48 -0.72 -3.33 0.00 0.00 175.10 172.30 2k4n s TYR 77 N -0.91 -0.16 0.04 1.54 1.13 0.94 -0.58 117.35 119.35 2k4n s TYR 77 Ca 0.15 -0.16 0.02 0.00 -1.41 0.00 0.00 57.07 55.66 2k4n s TYR 77 Cb -0.11 0.34 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 2k4n s TYR 77 CO 0.05 -0.83 -0.06 -0.59 -2.51 0.00 0.00 175.55 171.61 2k4n s PHE 78 N -3.84 0.56 -0.05 -3.49 -0.71 -0.88 -1.31 117.98 108.25 2k4n s PHE 78 Ca 0.07 -0.52 0.06 0.00 -1.04 0.00 0.00 56.93 55.50 2k4n s PHE 78 Cb 0.00 -0.35 -0.01 0.00 -1.21 0.00 0.00 43.02 41.45 2k4n s PHE 78 CO -0.07 -0.12 -0.24 -2.00 -1.34 0.00 0.00 175.22 171.45 2k4n s GLU 79 N -1.59 2.45 0.49 1.99 2.12 -1.26 -0.49 118.70 122.42 2k4n s GLU 79 Ca -0.11 -0.88 0.02 0.00 0.36 0.00 0.00 54.97 54.35 2k4n s GLU 79 Cb -0.10 -2.10 0.09 0.00 0.26 0.00 0.00 34.13 32.28 2k4n s GLU 79 CO -0.00 0.38 0.67 0.25 -0.54 0.00 0.00 175.26 176.03 2k4n n THR 80 N 2.92 0.00 0.27 -1.70 -2.24 -1.04 -4.95 114.28 107.55 2k4n n THR 80 Ca -0.17 -1.21 0.10 0.00 -2.27 0.00 0.00 64.05 60.49 2k4n n THR 80 Cb 0.52 -0.91 0.46 0.00 -2.10 0.00 0.00 70.33 68.30 2k4n n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k4n n LEU 81 N 0.00 0.49 0.00 3.22 4.32 -1.26 -1.17 117.00 122.60 2k4n n LEU 81 Ca 0.12 0.67 0.14 0.00 -0.02 0.00 0.00 56.01 56.91 2k4n n LEU 81 Cb 0.43 -0.66 0.63 0.00 -1.62 0.00 0.00 43.42 42.20 2k4n n LEU 81 CO 0.28 -0.67 0.96 0.47 -1.22 0.00 0.00 177.39 177.21 2k4n n ASP 82 N -2.09 0.00 -0.56 -1.43 9.92 -1.26 -4.87 116.55 116.25 2k4n n ASP 82 Ca 0.01 0.33 -0.07 0.00 -0.53 0.00 0.00 54.79 54.52 2k4n n ASP 82 Cb 0.12 -0.44 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 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 -1.44 -4.40 -4.65 -2.24 5.03 -0.32 -4.99 115.26 102.26 2k4n n ASN 83 Ca 0.09 0.18 -0.40 0.00 0.87 0.00 0.00 54.58 55.32 2k4n n ASN 83 Cb 0.30 -2.55 -0.06 0.00 -1.02 0.00 0.00 39.78 36.45 2k4n n ASN 83 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 2k4n s VAL 84 N -2.10 5.01 -0.32 2.41 1.01 -1.26 -4.77 120.40 120.37 2k4n s VAL 84 Ca 0.00 1.15 -0.12 0.00 0.00 0.00 0.00 61.98 63.00 2k4n s VAL 84 Cb 0.00 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 2k4n s VAL 84 CO 0.00 0.08 0.22 -0.13 0.00 0.00 0.00 175.10 175.27 2k4n s ARG 85 N 2.14 3.59 -0.57 2.72 0.52 0.12 -2.48 118.95 124.99 2k4n s ARG 85 Ca 0.27 -0.57 -0.24 0.00 -0.52 0.00 0.00 55.73 54.67 2k4n s ARG 85 Cb -0.16 -3.75 0.05 0.00 0.52 0.00 0.00 34.95 31.61 2k4n s ARG 85 CO 0.09 -0.38 0.96 0.08 0.02 0.00 0.00 175.30 176.08 2k4n s VAL 86 N 1.72 4.35 -0.06 3.52 1.01 0.36 -1.03 120.40 130.27 2k4n s VAL 86 Ca 0.06 0.19 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 2k4n s VAL 86 Cb -0.17 -4.58 -0.04 0.00 0.00 0.00 0.00 36.38 31.59 2k4n s VAL 86 CO 0.10 -1.19 0.12 -0.69 0.00 0.00 0.00 175.10 173.44 2k4n s VAL 87 N 4.04 5.20 0.07 2.92 1.01 0.24 -2.07 120.40 131.81 2k4n s VAL 87 Ca 0.29 -0.06 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2k4n s VAL 87 Cb -0.13 -3.32 0.02 0.00 0.00 0.00 0.00 36.38 32.95 2k4n s VAL 87 CO 0.18 0.49 0.33 -0.89 0.00 0.00 0.00 175.10 175.21 2k4n s THR 88 N -1.12 0.08 -0.09 3.92 2.01 0.26 -2.37 115.64 118.32 2k4n s THR 88 Ca 0.20 -0.69 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 2k4n s THR 88 Cb -0.12 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2k4n s THR 88 CO 0.10 -0.38 1.44 -0.62 -0.69 0.00 0.00 174.62 174.47 2k4n s ASP 89 N -2.38 6.82 0.28 3.53 -1.08 -1.26 -1.95 116.67 120.62 2k4n s ASP 89 Ca -0.01 1.99 0.14 0.00 -0.52 0.00 0.00 52.55 54.14 2k4n s ASP 89 Cb 0.01 -2.54 0.28 0.00 -1.46 0.00 0.00 42.92 39.21 2k4n s ASP 89 CO -0.07 -0.82 1.54 0.22 0.52 0.00 0.00 175.17 176.57 2k4n h TYR 90 N 8.66 0.00 -0.24 -5.34 3.20 -1.88 -0.99 116.97 120.39 2k4n h TYR 90 Ca -0.34 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.43 2k4n h TYR 90 Cb 1.15 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.41 2k4n h TYR 90 CO 0.83 0.59 -0.26 1.03 -1.64 0.00 0.00 178.16 178.70 2k4n h SER 91 N 0.00 0.64 -0.57 -2.11 0.87 -1.90 0.17 113.55 110.65 2k4n h SER 91 Ca -0.01 -0.49 -0.05 0.00 -1.23 0.00 0.00 61.79 60.02 2k4n h SER 91 Cb 1.24 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 63.00 2k4n h SER 91 CO 0.08 1.00 0.16 -0.33 -0.53 0.00 0.00 176.83 177.20 2k4n h GLU 92 N 0.30 0.89 -0.28 2.24 4.39 -1.95 -1.04 114.58 119.13 2k4n h GLU 92 Ca 0.03 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 2k4n h GLU 92 Cb 0.83 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 2k4n h GLU 92 CO 0.06 0.82 0.13 0.35 -1.16 0.00 0.00 179.01 179.21 2k4n h PHE 93 N 0.80 0.42 0.00 4.33 3.57 -1.03 -2.15 116.94 122.88 2k4n h PHE 93 Ca 0.18 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 2k4n h PHE 93 Cb 0.31 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 2k4n h PHE 93 CO 0.02 0.40 -0.27 1.96 -2.23 0.00 0.00 178.31 178.19 2k4n h GLN 94 N 0.32 0.00 -0.27 1.11 4.20 -0.60 -1.24 115.11 118.64 2k4n h GLN 94 Ca 0.10 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2k4n h GLN 94 Cb 0.15 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2k4n h GLN 94 CO -0.01 0.27 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.17 2k4n h LYS 95 N 0.00 0.41 -0.06 1.46 3.64 -0.63 0.36 116.57 121.75 2k4n h LYS 95 Ca -0.00 -0.08 -0.25 0.00 -1.27 0.00 0.00 60.65 59.04 2k4n h LYS 95 Cb 0.50 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2k4n h LYS 95 CO 0.04 0.47 -0.95 0.82 -2.27 0.00 0.00 179.45 177.55 2k4n h ILE 96 N 0.39 1.28 -0.04 2.00 2.04 -0.69 -2.24 117.51 120.25 2k4n h ILE 96 Ca 0.09 -2.15 -0.05 0.00 1.00 0.00 0.00 64.86 63.74 2k4n h ILE 96 Cb 0.32 2.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 2k4n h ILE 96 CO 0.01 0.67 -0.23 -0.07 0.00 0.00 0.00 178.15 178.53 2k4n h LEU 97 N 0.45 0.06 -0.73 1.44 3.38 -0.79 -0.56 115.31 118.55 2k4n h LEU 97 Ca -0.10 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.75 2k4n h LEU 97 Cb 1.59 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2k4n h LEU 97 CO 0.19 0.30 -0.20 0.50 0.09 0.00 0.00 178.44 179.32 2k4n h LYS 98 N 0.05 0.76 -0.18 1.13 3.64 -0.22 0.28 116.57 122.04 2k4n h LYS 98 Ca 0.01 -0.29 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2k4n h LYS 98 Cb 0.45 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 2k4n h LYS 98 CO 0.03 0.90 0.05 0.87 -2.27 0.00 0.00 179.45 179.02 2k4n h LYS 99 N 0.67 0.28 -0.39 1.90 1.57 -0.67 -3.17 116.57 116.76 2k4n h LYS 99 Ca 0.10 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2k4n h LYS 99 Cb 0.69 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 2k4n h LYS 99 CO 0.05 0.42 -0.29 -0.09 -0.57 0.00 0.00 179.45 178.97 2k4n h ARG 100 N 0.10 0.83 -0.64 3.15 2.43 -1.01 -3.48 114.38 115.78 2k4n h ARG 100 Ca 0.06 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 2k4n h ARG 100 Cb 0.26 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2k4n h ARG 100 CO -0.00 1.01 0.00 0.41 -1.51 0.00 0.00 179.97 179.88 2k4n n GLY 101 N -0.08 0.97 3.72 2.80 0.00 0.92 -5.02 105.19 108.50 2k4n n GLY 101 Ca -0.01 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 2k4n n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k4n s THR 102 N -2.62 2.47 0.04 2.61 2.01 -0.79 -4.88 115.64 114.48 2k4n s THR 102 Ca 0.00 0.34 0.31 0.00 0.31 0.00 0.00 61.69 62.64 2k4n s THR 102 Cb 0.00 -3.22 0.32 0.00 0.01 0.00 0.00 72.50 69.62 2k4n s THR 102 CO 0.00 0.03 1.93 0.50 -0.69 0.00 0.00 174.62 176.39 2k4n h LYS 103 N 6.74 0.00 -0.95 4.92 3.64 -1.93 -2.61 116.57 126.38 2k4n h LYS 103 Ca -0.43 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.02 2k4n h LYS 103 Cb 1.20 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.96 2k4n h LYS 103 CO 0.92 0.00 0.62 -0.07 -2.27 0.00 0.00 179.45 178.65 2k4n h LEU 104 N 0.00 0.96 0.00 5.20 3.38 -1.95 -3.03 115.31 119.87 2k4n h LEU 104 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k4n h LEU 104 Cb 0.16 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2k4n h LEU 104 CO 0.00 0.61 -0.40 -0.62 0.09 0.00 0.00 178.44 178.12 2k4n n GLU 105 N -4.50 0.32 -2.72 1.13 -0.58 -1.01 -4.72 120.64 108.57 2k4n n GLU 105 Ca 0.15 0.39 -0.42 0.00 -0.42 0.00 0.00 57.16 56.85 2k4n n GLU 105 Cb 0.20 -1.35 -0.03 0.00 -0.57 0.00 0.00 31.44 29.69 2k4n n GLU 105 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2k4n s HIS 106 N -1.93 2.70 0.27 -0.32 3.76 -1.08 -4.82 115.29 113.87 2k4n s HIS 106 Ca -0.12 -0.85 0.00 0.00 -0.15 0.00 0.00 55.06 53.94 2k4n s HIS 106 Cb 0.02 -4.50 0.38 0.00 1.11 0.00 0.00 32.58 29.59 2k4n s HIS 106 CO 0.17 -1.78 1.75 0.45 -0.85 0.00 0.00 174.74 174.49 2k4n h HIS 107 N 9.50 0.71 -3.64 1.40 3.86 -1.81 -3.36 115.15 121.81 2k4n h HIS 107 Ca 0.04 -0.12 -0.69 0.00 -1.16 0.00 0.00 60.37 58.45 2k4n h HIS 107 Cb 1.03 -0.19 -0.22 0.00 1.06 0.00 0.00 27.41 29.09 2k4n h HIS 107 CO 1.18 0.73 -0.52 -1.01 0.86 0.00 0.00 177.93 179.17 2k4n s HIS 108 N -4.79 3.21 0.00 2.45 3.76 -1.26 -4.99 115.29 113.66 2k4n s HIS 108 Ca -0.08 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.24 2k4n s HIS 108 Cb 0.14 -2.42 0.00 0.00 1.11 0.00 0.00 32.58 31.41 2k4n s HIS 108 CO 0.80 -0.49 0.91 1.58 -0.85 0.00 0.00 174.74 176.69 2k4n n HIS 109 N 5.03 0.00 0.00 1.40 -0.00 -1.26 -4.99 115.22 115.40 2k4n n HIS 109 Ca -0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.05 2k4n n HIS 109 Cb 0.48 -0.41 0.00 0.00 -0.12 0.00 0.00 29.99 29.94 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 -1.84 0.00 0.10 1.57 8.25 -1.26 -5.06 115.22 116.99 2k4n n HIS 110 Ca 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.47 2k4n n HIS 110 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56