#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 5.61 0.48 3.17 -0.87 -1.26 -4.46 114.94 117.60 2k4n s ASN 2 Ca 0.00 0.29 0.20 0.00 -1.57 0.00 0.00 52.86 51.78 2k4n s ASN 2 Cb 0.00 -1.38 1.19 0.00 -0.02 0.00 0.00 41.25 41.04 2k4n s ASN 2 CO 0.00 -0.91 2.03 0.28 -2.57 0.00 0.00 177.10 175.93 2k4n h SER 3 N 0.17 0.00 -0.17 -1.22 0.02 -1.98 -1.44 113.55 108.94 2k4n h SER 3 Ca -0.45 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 2k4n h SER 3 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 2k4n h SER 3 CO 0.57 0.16 0.02 -0.08 -1.14 0.00 0.00 176.83 176.36 2k4n h GLU 4 N 0.00 0.38 -0.54 3.45 4.81 -2.00 -1.67 114.58 119.01 2k4n h GLU 4 Ca -0.00 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.06 2k4n h GLU 4 Cb 0.32 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 2k4n h GLU 4 CO 0.02 0.39 -0.09 0.28 -0.73 0.00 0.00 179.01 178.88 2k4n h VAL 5 N 0.37 1.27 -0.78 0.32 2.07 -1.64 -2.30 116.25 115.55 2k4n h VAL 5 Ca 0.09 -1.24 -0.05 0.00 0.82 0.00 0.00 66.70 66.32 2k4n h VAL 5 Cb 0.21 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2k4n h VAL 5 CO 0.00 0.44 0.29 0.40 0.02 0.00 0.00 177.57 178.72 2k4n h ILE 6 N 0.89 1.26 -0.73 4.57 2.04 -1.26 0.47 117.51 124.75 2k4n h ILE 6 Ca 0.14 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.09 2k4n h ILE 6 Cb 0.65 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2k4n h ILE 6 CO 0.04 0.34 0.21 0.11 0.00 0.00 0.00 178.15 178.86 2k4n h LYS 7 N 1.15 1.14 -0.34 2.37 1.57 -1.17 -0.04 116.57 121.24 2k4n h LYS 7 Ca 0.26 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2k4n h LYS 7 Cb 0.24 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2k4n h LYS 7 CO -0.02 0.98 -0.27 0.93 -0.57 0.00 0.00 179.45 180.51 2k4n h GLU 8 N 1.08 0.69 -0.57 3.15 4.39 -1.00 -0.82 114.58 121.51 2k4n h GLU 8 Ca 0.23 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k4n h GLU 8 Cb 0.33 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.93 2k4n h GLU 8 CO -0.00 0.89 0.28 0.35 -1.16 0.00 0.00 179.01 179.37 2k4n h PHE 9 N 0.60 0.80 -0.16 4.33 3.57 -0.44 -1.48 116.94 124.17 2k4n h PHE 9 Ca 0.08 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 2k4n h PHE 9 Cb 0.77 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 2k4n h PHE 9 CO 0.04 0.61 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.48 2k4n h LEU 10 N 0.77 0.26 -0.22 0.59 3.38 -0.77 -1.82 115.31 117.50 2k4n h LEU 10 Ca 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 2k4n h LEU 10 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k4n h LEU 10 CO -0.03 0.46 0.09 -0.08 0.09 0.00 0.00 178.44 178.97 2k4n h GLU 11 N 0.25 0.32 0.19 1.13 4.81 -0.56 0.61 114.58 121.33 2k4n h GLU 11 Ca 0.05 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2k4n h GLU 11 Cb 0.46 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2k4n h GLU 11 CO 0.03 0.36 -0.09 0.22 -0.73 0.00 0.00 179.01 178.80 2k4n h ASP 12 N 0.21 -0.22 0.47 1.04 3.58 -0.93 -3.00 116.42 117.57 2k4n h ASP 12 Ca 0.07 -0.15 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 2k4n h ASP 12 Cb 0.16 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2k4n h ASP 12 CO -0.01 0.02 -0.28 0.16 -2.88 0.00 0.00 179.24 176.25 2k4n h ILE 13 N -0.46 0.95 -1.18 2.25 3.07 -1.37 -3.47 117.51 117.30 2k4n h ILE 13 Ca -0.03 -1.06 0.00 0.00 1.55 0.00 0.00 64.86 65.33 2k4n h ILE 13 Cb 0.35 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 2k4n h ILE 13 CO 0.04 0.27 0.00 0.61 -1.05 0.00 0.00 178.15 178.03 2k4n n GLY 14 N -0.41 0.84 3.04 0.16 0.00 -0.06 -5.09 105.19 103.66 2k4n n GLY 14 Ca -0.01 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.18 0.49 -0.05 1.61 2.56 0.01 -5.04 118.70 116.09 2k4n s GLU 15 Ca 0.00 -0.64 -0.12 0.00 0.00 0.00 0.00 54.97 54.21 2k4n s GLU 15 Cb 0.00 -0.28 -0.05 0.00 2.00 0.00 0.00 34.13 35.80 2k4n s GLU 15 CO 0.00 0.05 0.30 -0.51 -0.56 0.00 0.00 175.26 174.54 2k4n s ASP 16 N -1.31 6.65 -0.02 -1.70 1.01 -1.26 -4.48 116.67 115.56 2k4n s ASP 16 Ca -0.08 0.77 0.03 0.00 0.71 0.00 0.00 52.55 53.98 2k4n s ASP 16 Cb -0.09 -2.18 -0.03 0.00 1.01 0.00 0.00 42.92 41.63 2k4n s ASP 16 CO 0.00 0.36 -0.10 -0.72 0.21 0.00 0.00 175.17 174.92 2k4n s TYR 17 N -1.05 2.81 -0.62 4.23 -0.85 -1.26 -4.83 117.35 115.78 2k4n s TYR 17 Ca 0.20 -0.09 -0.14 0.00 -0.52 0.00 0.00 57.07 56.53 2k4n s TYR 17 Cb -0.15 -1.62 0.16 0.00 0.38 0.00 0.00 41.96 40.73 2k4n s TYR 17 CO 0.10 0.30 0.55 0.42 -1.52 0.00 0.00 175.55 175.40 2k4n s ILE 18 N -0.88 5.10 -0.25 -3.49 1.01 -0.96 -4.98 121.20 116.75 2k4n s ILE 18 Ca 0.14 -1.90 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 2k4n s ILE 18 Cb -0.11 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2k4n s ILE 18 CO 0.04 -0.90 0.29 -0.70 0.00 0.00 0.00 174.94 173.67 2k4n s GLU 19 N 1.06 4.04 -0.40 2.79 2.12 -1.26 0.04 118.70 127.08 2k4n s GLU 19 Ca 0.09 -0.07 0.05 0.00 0.36 0.00 0.00 54.97 55.39 2k4n s GLU 19 Cb -0.23 -3.61 0.51 0.00 0.26 0.00 0.00 34.13 31.06 2k4n s GLU 19 CO -0.01 -0.15 1.62 1.28 -0.54 0.00 0.00 175.26 177.45 2k4n n LEU 20 N 4.92 5.51 -2.02 2.70 4.77 0.17 -4.96 117.00 128.08 2k4n n LEU 20 Ca -0.11 -4.05 -0.03 0.00 -0.03 0.00 0.00 56.01 51.79 2k4n n LEU 20 Cb 0.51 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 2k4n n LEU 20 CO 0.36 1.44 -0.34 1.21 -1.33 0.00 0.00 177.39 178.73 2k4n n GLU 21 N -1.01 -2.43 -0.82 3.23 2.13 -1.26 -4.39 120.64 116.10 2k4n n GLU 21 Ca 0.46 2.06 0.00 0.00 0.66 0.00 0.00 57.16 60.34 2k4n n GLU 21 Cb 1.05 -3.06 0.00 0.00 0.27 0.00 0.00 31.44 29.70 2k4n n GLU 21 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2k4n n ASN 22 N 0.89 -1.71 -3.88 4.31 4.13 -1.26 -4.95 115.26 112.80 2k4n n ASN 22 Ca -0.20 0.00 -0.28 0.00 1.68 0.00 0.00 54.58 55.78 2k4n n ASN 22 Cb 0.31 -1.69 -0.16 0.00 -1.54 0.00 0.00 39.78 36.69 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 -0.77 1.35 -0.45 3.52 2.02 -1.26 0.25 118.70 123.37 2k4n s GLU 23 Ca 0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 54.97 54.32 2k4n s GLU 23 Cb 0.00 -2.09 0.10 0.00 0.10 0.00 0.00 34.13 32.24 2k4n s GLU 23 CO 0.00 -0.48 0.32 0.42 0.02 0.00 0.00 175.26 175.54 2k4n s ILE 24 N 1.63 4.34 -0.23 -1.63 1.01 0.07 0.43 121.20 126.81 2k4n s ILE 24 Ca -0.00 -1.54 -0.22 0.00 0.00 0.00 0.00 60.65 58.89 2k4n s ILE 24 Cb -0.16 -3.74 -0.02 0.00 0.01 0.00 0.00 42.46 38.55 2k4n s ILE 24 CO -0.07 -0.64 0.70 -1.00 0.00 0.00 0.00 174.94 173.93 2k4n s HIS 25 N 1.42 3.32 0.44 3.97 3.76 0.11 -0.67 115.29 127.64 2k4n s HIS 25 Ca 0.04 0.97 0.06 0.00 -0.15 0.00 0.00 55.06 55.97 2k4n s HIS 25 Cb -0.25 -2.91 -0.05 0.00 1.11 0.00 0.00 32.58 30.48 2k4n s HIS 25 CO 0.01 -0.31 0.07 -0.51 -0.85 0.00 0.00 174.74 173.16 2k4n s LEU 26 N 2.45 2.81 0.15 0.89 1.43 -0.62 -2.26 118.68 123.54 2k4n s LEU 26 Ca 0.30 -1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 51.76 2k4n s LEU 26 Cb -0.16 -1.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.98 2k4n s LEU 26 CO 0.09 -0.59 0.95 -0.54 0.23 0.00 0.00 176.35 176.49 2k4n s LYS 27 N -3.82 4.74 0.27 1.70 1.02 -1.26 -4.66 119.74 117.72 2k4n s LYS 27 Ca 0.31 1.45 -0.00 0.00 0.02 0.00 0.00 55.97 57.74 2k4n s LYS 27 Cb 0.06 -3.35 0.60 0.00 -0.52 0.00 0.00 37.83 34.62 2k4n s LYS 27 CO 0.16 0.30 1.70 -1.35 -0.92 0.00 0.00 175.35 175.25 2k4n h PRO 28 N 5.17 0.37 -0.35 -1.68 0.11 -1.96 0.27 132.00 133.94 2k4n h PRO 28 Ca -0.44 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.54 2k4n h PRO 28 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2k4n h PRO 28 CO 0.71 0.25 -0.24 0.93 -0.21 0.00 0.00 178.00 179.43 2k4n h GLU 29 N 0.38 0.69 -0.27 1.05 5.08 -1.95 -1.32 114.58 118.24 2k4n h GLU 29 Ca 0.49 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2k4n h GLU 29 Cb 0.87 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2k4n h GLU 29 CO -0.50 0.86 -0.18 0.28 -1.00 0.00 0.00 179.01 178.47 2k4n h VAL 30 N 0.60 1.30 -0.56 3.13 2.07 -1.40 -3.13 116.25 118.27 2k4n h VAL 30 Ca 0.08 -1.31 0.06 0.00 0.82 0.00 0.00 66.70 66.36 2k4n h VAL 30 Cb 0.72 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 2k4n h VAL 30 CO 0.06 0.41 0.25 0.15 0.02 0.00 0.00 177.57 178.46 2k4n h PHE 31 N 0.33 0.45 -0.97 1.57 3.57 -0.32 -0.15 116.94 121.43 2k4n h PHE 31 Ca 0.05 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.64 2k4n h PHE 31 Cb 0.72 -0.12 -0.06 0.00 2.79 0.00 0.00 35.95 39.28 2k4n h PHE 31 CO 0.07 0.18 0.63 -0.92 -2.23 0.00 0.00 178.31 176.04 2k4n h TYR 32 N 0.48 1.15 0.04 0.41 3.20 -1.23 0.33 116.97 121.35 2k4n h TYR 32 Ca 0.26 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.94 2k4n h TYR 32 Cb 0.23 -0.38 0.02 0.00 1.54 0.00 0.00 36.73 38.14 2k4n h TYR 32 CO -0.13 0.62 -0.88 0.93 -1.64 0.00 0.00 178.16 177.06 2k4n h GLU 33 N 1.14 0.52 -0.47 1.82 5.08 -1.33 -3.07 114.58 118.28 2k4n h GLU 33 Ca 0.41 -0.62 -0.08 0.00 -1.00 0.00 0.00 59.36 58.07 2k4n h GLU 33 Cb 0.14 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 2k4n h GLU 33 CO -0.15 1.24 -0.03 0.28 -1.00 0.00 0.00 179.01 179.35 2k4n h VAL 34 N 0.07 1.25 -0.01 3.13 2.07 -0.70 -0.50 116.25 121.56 2k4n h VAL 34 Ca -0.12 -1.06 0.03 0.00 0.82 0.00 0.00 66.70 66.37 2k4n h VAL 34 Cb 1.58 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 2k4n h VAL 34 CO 0.17 0.37 -0.25 -0.25 0.02 0.00 0.00 177.57 177.63 2k4n h TRP 35 N 0.74 -0.66 0.00 1.57 7.01 -0.39 -1.15 115.95 123.06 2k4n h TRP 35 Ca 0.14 0.02 -0.08 0.00 2.11 0.00 0.00 58.89 61.08 2k4n h TRP 35 Cb 0.50 0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.84 2k4n h TRP 35 CO 0.03 -0.34 -0.38 0.87 -2.79 0.00 0.00 178.44 175.82 2k4n h LYS 36 N -0.38 0.00 -0.68 2.65 1.57 -1.43 0.16 116.57 118.46 2k4n h LYS 36 Ca 0.06 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2k4n h LYS 36 Cb 0.47 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2k4n h LYS 36 CO -0.23 0.38 0.24 -0.92 -0.57 0.00 0.00 179.45 178.36 2k4n h TYR 37 N 0.00 1.05 -0.31 -1.35 3.20 -0.29 -2.38 116.97 116.90 2k4n h TYR 37 Ca -0.00 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.78 2k4n h TYR 37 Cb 0.89 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2k4n h TYR 37 CO 0.00 0.82 0.00 1.33 -1.64 0.00 0.00 178.16 178.67 2k4n n VAL 38 N -4.28 0.45 -0.01 1.81 0.24 -0.51 -4.84 118.33 111.20 2k4n n VAL 38 Ca 0.06 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.93 2k4n n VAL 38 Cb 0.20 0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 0.97 0.91 3.45 7.63 0.00 -0.89 -4.73 105.19 112.52 2k4n n GLY 39 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2k4n n GLY 39 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2k4n n GLU 40 N -2.01 -1.73 -0.35 1.61 0.28 0.56 -4.97 120.64 114.04 2k4n n GLU 40 Ca 0.00 1.36 0.00 0.00 -0.16 0.00 0.00 57.16 58.36 2k4n n GLU 40 Cb 0.00 -1.98 0.00 0.00 1.43 0.00 0.00 31.44 30.89 2k4n n GLU 40 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 2k4n n PRO 41 N 0.01 0.59 -2.53 3.44 -0.04 -1.26 -4.90 135.00 130.30 2k4n n PRO 41 Ca -0.07 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2k4n n PRO 41 Cb 0.66 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.07 2k4n n PRO 41 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2k4n s GLU 42 N -2.09 4.62 0.05 0.54 0.41 -1.26 -5.03 118.70 115.93 2k4n s GLU 42 Ca 0.00 1.70 -0.05 0.00 -0.41 0.00 0.00 54.97 56.21 2k4n s GLU 42 Cb 0.00 -3.27 -0.05 0.00 -1.78 0.00 0.00 34.13 29.03 2k4n s GLU 42 CO 0.00 0.12 0.30 -0.51 -0.49 0.00 0.00 175.26 174.68 2k4n s LEU 43 N -0.50 4.34 -0.24 1.80 1.43 -1.26 -4.91 118.68 119.34 2k4n s LEU 43 Ca 0.48 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 54.09 2k4n s LEU 43 Cb -0.29 -2.89 -0.00 0.00 0.03 0.00 0.00 46.19 43.04 2k4n s LEU 43 CO 0.35 0.19 -0.02 -0.75 0.23 0.00 0.00 176.35 176.35 2k4n s LYS 44 N -2.09 3.26 -0.06 1.70 2.20 0.18 -4.96 119.74 119.97 2k4n s LYS 44 Ca 0.32 -0.71 -0.02 0.00 -0.36 0.00 0.00 55.97 55.20 2k4n s LYS 44 Cb -0.13 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.07 2k4n s LYS 44 CO 0.20 -0.27 0.05 0.95 -0.36 0.00 0.00 175.35 175.91 2k4n s THR 45 N 1.47 4.60 0.09 3.43 -4.23 -1.26 -0.86 115.64 118.87 2k4n s THR 45 Ca 0.04 -0.25 0.05 0.00 -1.18 0.00 0.00 61.69 60.36 2k4n s THR 45 Cb -0.15 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.65 2k4n s THR 45 CO -0.02 0.52 -0.14 -0.72 -0.54 0.00 0.00 174.62 173.71 2k4n s TYR 46 N -1.01 1.30 -0.16 3.99 1.13 0.48 -4.97 117.35 118.10 2k4n s TYR 46 Ca 0.17 -0.49 -0.05 0.00 -1.41 0.00 0.00 57.07 55.29 2k4n s TYR 46 Cb -0.12 -0.71 -0.03 0.00 -1.10 0.00 0.00 41.96 40.00 2k4n s TYR 46 CO 0.07 0.09 -0.00 0.08 -2.51 0.00 0.00 175.55 173.27 2k4n s VAL 47 N -1.53 4.20 -0.22 -3.49 1.01 -1.26 -0.64 120.40 118.47 2k4n s VAL 47 Ca 0.02 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.75 2k4n s VAL 47 Cb -0.08 -2.86 0.05 0.00 0.00 0.00 0.00 36.38 33.49 2k4n s VAL 47 CO 0.02 0.48 -0.06 -0.51 0.00 0.00 0.00 175.10 175.03 2k4n s ILE 48 N 0.37 1.49 -0.79 2.22 2.07 -0.29 -4.97 121.20 121.30 2k4n s ILE 48 Ca -0.02 -1.08 -0.25 0.00 -1.41 0.00 0.00 60.65 57.89 2k4n s ILE 48 Cb -0.14 -1.69 0.04 0.00 0.13 0.00 0.00 42.46 40.80 2k4n s ILE 48 CO 0.02 -0.00 1.27 -1.61 -1.91 0.00 0.00 174.94 172.70 2k4n s GLU 49 N 1.43 3.27 -0.29 3.50 8.01 -1.26 -1.76 118.70 131.61 2k4n s GLU 49 Ca -0.04 -0.54 -0.08 0.00 0.01 0.00 0.00 54.97 54.32 2k4n s GLU 49 Cb -0.18 -4.45 -0.00 0.00 -4.31 0.00 0.00 34.13 25.20 2k4n s GLU 49 CO -0.07 -2.11 0.10 0.34 0.01 0.00 0.00 175.26 173.54 2k4n s ASP 50 N 3.98 5.27 -0.06 -0.19 2.15 0.94 -4.86 116.67 123.90 2k4n s ASP 50 Ca 0.35 -0.58 -0.21 0.00 0.43 0.00 0.00 52.55 52.55 2k4n s ASP 50 Cb -0.07 -1.93 -0.04 0.00 -0.30 0.00 0.00 42.92 40.57 2k4n s ASP 50 CO 0.09 -0.17 0.59 -1.61 -0.17 0.00 0.00 175.17 173.90 2k4n s GLU 51 N 1.55 4.36 -0.15 4.34 2.02 -1.26 -1.21 118.70 128.35 2k4n s GLU 51 Ca 0.04 0.70 -0.23 0.00 0.02 0.00 0.00 54.97 55.49 2k4n s GLU 51 Cb -0.17 -3.40 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2k4n s GLU 51 CO 0.04 0.21 0.73 -1.50 0.02 0.00 0.00 175.26 174.76 2k4n s ILE 52 N 0.35 4.97 0.49 -1.63 2.07 0.56 -4.90 121.20 123.11 2k4n s ILE 52 Ca 0.32 1.44 -0.02 0.00 -1.41 0.00 0.00 60.65 60.98 2k4n s ILE 52 Cb -0.17 -4.05 -0.00 0.00 0.13 0.00 0.00 42.46 38.37 2k4n s ILE 52 CO 0.15 0.12 0.75 0.54 -1.91 0.00 0.00 174.94 174.59 2k4n s VAL 53 N 1.66 3.95 -0.01 4.00 0.11 -1.26 -2.01 120.40 126.84 2k4n s VAL 53 Ca 0.35 -0.30 -0.22 0.00 -2.93 0.00 0.00 61.98 58.88 2k4n s VAL 53 Cb -0.17 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.14 2k4n s VAL 53 CO 0.14 -0.41 0.66 -1.83 -3.33 0.00 0.00 175.10 170.33 2k4n s GLU 54 N -4.70 4.39 -0.00 1.54 -1.05 -1.26 -4.98 118.70 112.64 2k4n s GLU 54 Ca 0.50 0.84 -0.05 0.00 -0.15 0.00 0.00 54.97 56.11 2k4n s GLU 54 Cb -0.10 -3.38 -0.03 0.00 -0.44 0.00 0.00 34.13 30.18 2k4n s GLU 54 CO 0.40 0.27 0.62 -1.00 0.95 0.00 0.00 175.26 176.50 2k4n h PRO 55 N 5.95 -0.19 0.00 -4.83 0.13 -2.00 -3.48 132.00 127.59 2k4n h PRO 55 Ca -0.44 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2k4n h PRO 55 Cb 1.20 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k4n h PRO 55 CO 0.72 -0.12 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 2k4n n GLY 56 N 0.26 0.00 3.62 1.56 0.00 -1.26 -5.12 105.19 104.25 2k4n n GLY 56 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 3.40 -1.03 1.61 2.02 -1.26 -4.91 118.70 118.54 2k4n s GLU 57 Ca 0.00 2.11 -0.14 0.00 0.02 0.00 0.00 54.97 56.96 2k4n s GLU 57 Cb 0.00 -4.30 0.20 0.00 0.10 0.00 0.00 34.13 30.13 2k4n s GLU 57 CO 0.00 -1.79 1.12 0.71 0.02 0.00 0.00 175.26 175.32 2k4n s TYR 58 N 7.19 3.68 0.09 1.61 2.02 -1.26 -4.50 117.35 126.19 2k4n s TYR 58 Ca 0.95 -2.08 0.00 0.00 -0.37 0.00 0.00 57.07 55.57 2k4n s TYR 58 Cb -0.34 -4.06 0.00 0.00 -0.40 0.00 0.00 41.96 37.15 2k4n s TYR 58 CO 0.36 -1.20 0.00 -3.47 -1.57 0.00 0.00 175.55 169.67 2k4n n ASP 59 N 4.68 -0.12 -4.75 2.29 2.03 -1.26 -5.08 116.55 114.33 2k4n n ASP 59 Ca 0.25 0.15 -0.40 0.00 0.52 0.00 0.00 54.79 55.31 2k4n n ASP 59 Cb 0.44 0.20 -0.05 0.00 -0.72 0.00 0.00 41.12 40.99 2k4n n ASP 59 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2k4n s PRO 60 N -2.00 4.79 0.58 -0.67 0.04 -1.26 -5.03 135.00 131.45 2k4n s PRO 60 Ca 0.00 1.59 -0.20 0.00 0.04 0.00 0.00 61.00 62.43 2k4n s PRO 60 Cb 0.00 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2k4n s PRO 60 CO 0.00 0.42 1.26 -2.30 0.04 0.00 0.00 177.00 176.42 2k4n n PRO 61 N 1.39 1.36 -2.05 0.56 -0.02 -1.26 -4.84 135.00 130.14 2k4n n PRO 61 Ca -0.02 0.51 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 2k4n n PRO 61 Cb 0.46 -2.48 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 2k4n n PRO 61 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2k4n s GLU 62 N -2.99 2.52 0.00 -0.52 2.02 -1.26 -3.34 118.70 115.13 2k4n s GLU 62 Ca 0.76 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 55.24 2k4n s GLU 62 Cb -0.41 -5.11 0.00 0.00 0.10 0.00 0.00 34.13 28.71 2k4n s GLU 62 CO 0.46 -3.56 0.00 -0.12 0.02 0.00 0.00 175.26 172.06 2k4n n MET 63 N 8.70 0.00 -2.39 1.61 1.56 -1.26 -5.11 117.12 120.23 2k4n n MET 63 Ca 0.41 0.00 -0.32 0.00 -0.27 0.00 0.00 57.70 57.52 2k4n n MET 63 Cb 0.47 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.81 2k4n n MET 63 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2k4n s LYS 64 N -1.56 3.90 -0.21 2.12 1.02 -1.21 -5.06 119.74 118.73 2k4n s LYS 64 Ca 0.00 1.01 0.02 0.00 0.02 0.00 0.00 55.97 57.01 2k4n s LYS 64 Cb 0.00 -2.13 0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2k4n s LYS 64 CO 0.00 -0.32 -0.15 -0.47 -0.92 0.00 0.00 175.35 173.49 2k4n s TYR 65 N -2.55 2.91 0.69 3.18 5.04 -1.26 -4.97 117.35 120.37 2k4n s TYR 65 Ca 0.60 -1.90 -0.17 0.00 -2.44 0.00 0.00 57.07 53.16 2k4n s TYR 65 Cb -0.11 -1.88 0.01 0.00 0.35 0.00 0.00 41.96 40.34 2k4n s TYR 65 CO 0.30 -0.82 1.28 0.95 -1.34 0.00 0.00 175.55 175.92 2k4n s THR 66 N 1.24 2.00 0.04 4.34 -4.23 -1.26 -5.02 115.64 112.75 2k4n s THR 66 Ca -0.01 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 60.58 2k4n s THR 66 Cb -0.16 -2.86 -0.03 0.00 1.34 0.00 0.00 72.50 70.79 2k4n s THR 66 CO -0.09 -0.00 -0.22 0.54 -0.54 0.00 0.00 174.62 174.31 2k4n s ASN 67 N -1.55 2.67 0.47 3.99 4.22 -1.26 -5.04 114.94 118.44 2k4n s ASN 67 Ca 0.81 -0.54 -0.18 0.00 -2.14 0.00 0.00 52.86 50.81 2k4n s ASN 67 Cb -0.36 -0.23 -0.09 0.00 1.28 0.00 0.00 41.25 41.85 2k4n s ASN 67 CO 0.42 0.19 0.95 0.68 -2.04 0.00 0.00 177.10 177.30 2k4n s VAL 68 N -0.80 4.50 -0.09 3.54 -7.23 -1.26 -4.80 120.40 114.26 2k4n s VAL 68 Ca 0.09 1.27 0.03 0.00 -1.81 0.00 0.00 61.98 61.56 2k4n s VAL 68 Cb -0.09 -3.67 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 2k4n s VAL 68 CO 0.02 -0.53 -0.18 -0.54 -0.31 0.00 0.00 175.10 173.56 2k4n s LYS 69 N -3.70 2.98 -0.59 4.82 1.02 -0.85 -4.94 119.74 118.48 2k4n s LYS 69 Ca 0.59 -0.78 -0.21 0.00 0.02 0.00 0.00 55.97 55.59 2k4n s LYS 69 Cb -0.10 -2.41 0.07 0.00 -0.52 0.00 0.00 37.83 34.87 2k4n s LYS 69 CO 0.24 0.31 0.83 0.21 -0.92 0.00 0.00 175.35 176.03 2k4n s LYS 70 N 0.05 3.14 -0.61 1.68 2.20 -1.26 -0.33 119.74 124.60 2k4n s LYS 70 Ca -0.07 -0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 54.49 2k4n s LYS 70 Cb -0.15 -4.18 0.09 0.00 -1.51 0.00 0.00 37.83 32.09 2k4n s LYS 70 CO 0.05 -1.57 0.79 0.08 -0.36 0.00 0.00 175.35 174.34 2k4n s VAL 71 N 3.44 4.65 -0.68 4.02 1.01 -0.35 -4.90 120.40 127.58 2k4n s VAL 71 Ca 0.20 -0.78 -0.22 0.00 0.00 0.00 0.00 61.98 61.18 2k4n s VAL 71 Cb -0.18 -4.55 0.08 0.00 0.00 0.00 0.00 36.38 31.72 2k4n s VAL 71 CO 0.11 -1.24 0.98 -1.59 0.00 0.00 0.00 175.10 173.37 2k4n s LYS 72 N 3.15 3.15 -0.11 2.72 -2.85 -1.26 -0.04 119.74 124.50 2k4n s LYS 72 Ca 0.15 -0.93 -0.04 0.00 -1.00 0.00 0.00 55.97 54.16 2k4n s LYS 72 Cb -0.22 -4.30 -0.03 0.00 -2.06 0.00 0.00 37.83 31.22 2k4n s LYS 72 CO 0.08 -1.81 0.02 -1.50 0.10 0.00 0.00 175.35 172.24 2k4n s ILE 73 N 3.93 4.49 -0.20 3.79 2.07 -0.72 -4.90 121.20 129.65 2k4n s ILE 73 Ca 0.23 -0.17 -0.15 0.00 -1.41 0.00 0.00 60.65 59.15 2k4n s ILE 73 Cb -0.16 -2.93 -0.04 0.00 0.13 0.00 0.00 42.46 39.46 2k4n s ILE 73 CO 0.08 0.57 0.35 -0.75 -1.91 0.00 0.00 174.94 173.28 2k4n s LYS 74 N -0.54 4.17 0.21 3.50 2.20 -1.26 -1.13 119.74 126.88 2k4n s LYS 74 Ca 0.10 0.11 0.09 0.00 -0.36 0.00 0.00 55.97 55.90 2k4n s LYS 74 Cb -0.12 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 2k4n s LYS 74 CO 0.02 0.01 -0.16 0.15 -0.36 0.00 0.00 175.35 175.01 2k4n s LYS 75 N 1.17 1.37 0.07 4.03 1.02 0.19 -3.35 119.74 124.25 2k4n s LYS 75 Ca 0.17 -1.57 0.09 0.00 0.02 0.00 0.00 55.97 54.68 2k4n s LYS 75 Cb -0.14 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.85 2k4n s LYS 75 CO 0.07 0.23 -0.24 0.54 -0.92 0.00 0.00 175.35 175.03 2k4n s VAL 76 N -2.64 1.99 0.18 3.17 0.11 -0.57 -0.39 120.40 122.26 2k4n s VAL 76 Ca 0.22 -1.46 -0.14 0.00 -2.93 0.00 0.00 61.98 57.67 2k4n s VAL 76 Cb -0.03 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.10 2k4n s VAL 76 CO 0.08 0.19 0.43 -0.72 -3.33 0.00 0.00 175.10 171.75 2k4n s TYR 77 N -0.92 0.05 0.05 1.54 -0.85 -0.04 -0.18 117.35 116.99 2k4n s TYR 77 Ca 0.10 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.29 2k4n s TYR 77 Cb -0.10 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.45 2k4n s TYR 77 CO 0.03 -0.83 -0.11 -0.59 -1.52 0.00 0.00 175.55 172.53 2k4n s PHE 78 N -3.90 0.99 -0.16 -3.49 -0.71 -0.95 -0.64 117.98 109.12 2k4n s PHE 78 Ca 0.11 -0.41 -0.06 0.00 -1.04 0.00 0.00 56.93 55.53 2k4n s PHE 78 Cb 0.01 -0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 41.20 2k4n s PHE 78 CO -0.03 0.00 0.05 -1.21 -1.34 0.00 0.00 175.22 172.70 2k4n s GLU 79 N -1.38 3.78 0.51 1.99 2.02 -1.26 -0.86 118.70 123.49 2k4n s GLU 79 Ca -0.03 -0.35 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 2k4n s GLU 79 Cb -0.09 -3.13 0.11 0.00 0.10 0.00 0.00 34.13 31.12 2k4n s GLU 79 CO 0.01 0.37 0.69 0.25 0.02 0.00 0.00 175.26 176.61 2k4n n THR 80 N 3.21 0.00 0.29 3.63 -2.24 -0.47 -4.90 114.28 113.80 2k4n n THR 80 Ca -0.17 -0.71 0.18 0.00 -2.27 0.00 0.00 64.05 61.08 2k4n n THR 80 Cb 0.53 -1.46 0.83 0.00 -2.10 0.00 0.00 70.33 68.12 2k4n n THR 80 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k4n h LEU 81 N 0.00 0.00 -1.49 3.22 4.07 -1.90 -1.59 115.31 117.62 2k4n h LEU 81 Ca -0.23 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.73 2k4n h LEU 81 Cb 0.70 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.44 2k4n h LEU 81 CO 0.19 0.03 0.00 0.47 -1.08 0.00 0.00 178.44 178.05 2k4n n ASP 82 N -3.17 2.21 -1.40 -0.43 8.00 -1.26 -4.89 116.55 115.61 2k4n n ASP 82 Ca -0.01 -1.86 -0.16 0.00 0.71 0.00 0.00 54.79 53.47 2k4n n ASP 82 Cb 0.24 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.12 41.09 2k4n n ASP 82 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k4n n ASN 83 N 0.68 -4.85 -4.69 -2.24 3.02 -0.60 -4.98 115.26 101.61 2k4n n ASN 83 Ca 0.16 0.26 -0.40 0.00 -0.03 0.00 0.00 54.58 54.58 2k4n n ASN 83 Cb 0.39 -3.82 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 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 -2.65 5.03 -0.41 2.41 1.01 -1.26 -4.79 120.40 119.74 2k4n s VAL 84 Ca 0.00 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.13 2k4n s VAL 84 Cb 0.00 -3.99 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2k4n s VAL 84 CO 0.00 0.17 0.42 -0.13 0.00 0.00 0.00 175.10 175.57 2k4n s ARG 85 N 1.41 3.19 -0.63 2.72 0.52 0.14 -1.37 118.95 124.94 2k4n s ARG 85 Ca 0.33 -0.68 -0.26 0.00 -0.52 0.00 0.00 55.73 54.60 2k4n s ARG 85 Cb -0.16 -3.93 0.04 0.00 0.52 0.00 0.00 34.95 31.41 2k4n s ARG 85 CO 0.13 -0.79 1.10 0.08 0.02 0.00 0.00 175.30 175.84 2k4n s VAL 86 N 2.12 4.11 -0.03 3.52 1.01 -0.04 -0.75 120.40 130.33 2k4n s VAL 86 Ca 0.12 0.35 -0.05 0.00 0.00 0.00 0.00 61.98 62.41 2k4n s VAL 86 Cb -0.17 -4.71 -0.04 0.00 0.00 0.00 0.00 36.38 31.46 2k4n s VAL 86 CO 0.13 -1.43 0.20 -0.69 0.00 0.00 0.00 175.10 173.32 2k4n s VAL 87 N 4.68 5.41 -0.03 2.92 1.01 0.16 -2.24 120.40 132.31 2k4n s VAL 87 Ca 0.33 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.18 2k4n s VAL 87 Cb -0.11 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.79 2k4n s VAL 87 CO 0.18 0.41 0.38 -0.89 0.00 0.00 0.00 175.10 175.18 2k4n s THR 88 N -1.24 0.04 -0.20 3.92 2.01 0.74 -1.59 115.64 119.33 2k4n s THR 88 Ca 0.24 -0.35 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2k4n s THR 88 Cb -0.13 -0.67 -0.08 0.00 0.01 0.00 0.00 72.50 71.64 2k4n s THR 88 CO 0.14 -0.19 2.15 0.47 -0.69 0.00 0.00 174.62 176.50 2k4n n ASP 89 N 1.38 3.17 0.14 3.53 8.00 -1.26 -1.51 116.55 130.00 2k4n n ASP 89 Ca -0.20 0.42 -0.01 0.00 0.71 0.00 0.00 54.79 55.70 2k4n n ASP 89 Cb 0.56 -1.47 0.18 0.00 -0.02 0.00 0.00 41.12 40.37 2k4n n ASP 89 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2k4n h TYR 90 N 13.33 0.01 -0.26 1.24 3.20 -1.86 0.76 116.97 133.39 2k4n h TYR 90 Ca -0.40 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.46 2k4n h TYR 90 Cb 1.26 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 2k4n h TYR 90 CO 0.94 0.61 0.15 0.66 -1.64 0.00 0.00 178.16 178.88 2k4n h SER 91 N 0.01 0.31 0.10 -2.11 4.64 -1.89 -0.38 113.55 114.23 2k4n h SER 91 Ca -0.01 -0.05 -0.17 0.00 -0.47 0.00 0.00 61.79 61.09 2k4n h SER 91 Cb 1.06 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 63.07 2k4n h SER 91 CO 0.08 0.27 -0.63 -0.08 -0.87 0.00 0.00 176.83 175.60 2k4n h GLU 92 N 0.32 0.52 0.26 4.77 4.57 -1.89 -2.42 114.58 120.70 2k4n h GLU 92 Ca 0.09 -0.36 -0.01 0.00 -1.18 0.00 0.00 59.36 57.90 2k4n h GLU 92 Cb 0.02 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2k4n h GLU 92 CO -0.02 0.98 -0.12 0.35 -1.18 0.00 0.00 179.01 179.02 2k4n h PHE 93 N 0.38 -0.32 -0.12 0.92 3.57 -0.58 -0.10 116.94 120.68 2k4n h PHE 93 Ca -0.01 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2k4n h PHE 93 Cb 1.19 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 40.03 2k4n h PHE 93 CO 0.05 -0.18 -0.18 1.96 -2.23 0.00 0.00 178.31 177.73 2k4n h GLN 94 N -0.37 0.20 -0.84 1.11 4.20 -1.13 0.04 115.11 118.31 2k4n h GLN 94 Ca -0.04 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.64 2k4n h GLN 94 Cb 0.28 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 2k4n h GLN 94 CO 0.06 0.37 0.55 -0.22 -0.67 0.00 0.00 178.83 178.92 2k4n h LYS 95 N 0.18 1.07 -0.17 1.46 3.64 -0.90 0.18 116.57 122.04 2k4n h LYS 95 Ca 0.04 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.17 2k4n h LYS 95 Cb 0.42 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2k4n h LYS 95 CO 0.03 0.71 -0.64 0.82 -2.27 0.00 0.00 179.45 178.10 2k4n h ILE 96 N 1.10 1.32 -0.14 2.00 2.04 -0.24 -1.83 117.51 121.75 2k4n h ILE 96 Ca 0.32 -1.91 0.01 0.00 1.00 0.00 0.00 64.86 64.28 2k4n h ILE 96 Cb -0.07 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.87 2k4n h ILE 96 CO -0.09 0.59 0.06 -0.07 0.00 0.00 0.00 178.15 178.65 2k4n h LEU 97 N 0.44 0.08 -1.51 1.44 3.38 -0.42 -0.54 115.31 118.18 2k4n h LEU 97 Ca -0.01 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2k4n h LEU 97 Cb 1.21 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 2k4n h LEU 97 CO 0.12 0.07 -0.25 0.11 0.09 0.00 0.00 178.44 178.58 2k4n h LYS 98 N 0.14 0.00 0.12 1.13 1.57 -0.65 0.27 116.57 119.15 2k4n h LYS 98 Ca 0.06 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2k4n h LYS 98 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2k4n h LYS 98 CO -0.05 0.25 -0.06 -0.22 -0.57 0.00 0.00 179.45 178.80 2k4n h LYS 99 N 0.00 -0.15 0.00 3.15 3.64 -0.60 -3.15 116.57 119.45 2k4n h LYS 99 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2k4n h LYS 99 Cb 0.46 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2k4n h LYS 99 CO 0.03 0.24 -0.14 0.54 -2.27 0.00 0.00 179.45 177.85 2k4n n ARG 100 N -4.97 0.02 -2.37 1.90 1.74 -0.28 -4.92 116.66 107.79 2k4n n ARG 100 Ca -0.09 0.01 -0.06 0.00 -0.77 0.00 0.00 57.85 56.94 2k4n n ARG 100 Cb 0.24 -1.52 0.01 0.00 -1.02 0.00 0.00 32.46 30.17 2k4n n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k4n n GLY 101 N 1.49 0.27 3.56 -0.13 0.00 0.69 -4.96 105.19 106.10 2k4n n GLY 101 Ca 0.06 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.59 3.71 -0.20 2.61 2.01 0.35 -4.98 115.64 116.56 2k4n s THR 102 Ca 0.06 0.47 -0.26 0.00 0.31 0.00 0.00 61.69 62.27 2k4n s THR 102 Cb -0.03 -4.71 -0.01 0.00 0.01 0.00 0.00 72.50 67.77 2k4n s THR 102 CO 0.08 -1.59 0.86 -0.75 -0.69 0.00 0.00 174.62 172.52 2k4n s LYS 103 N 5.80 4.26 -0.39 4.92 2.20 -1.26 -4.72 119.74 130.55 2k4n s LYS 103 Ca 0.42 1.04 -0.25 0.00 -0.36 0.00 0.00 55.97 56.83 2k4n s LYS 103 Cb -0.09 -3.60 0.02 0.00 -1.51 0.00 0.00 37.83 32.64 2k4n s LYS 103 CO 0.18 -0.42 0.90 -0.51 -0.36 0.00 0.00 175.35 175.13 2k4n s LEU 104 N 2.48 4.03 0.71 5.43 1.43 -1.26 -5.03 118.68 126.47 2k4n s LEU 104 Ca 0.38 0.40 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 2k4n s LEU 104 Cb -0.16 -3.19 0.03 0.00 0.03 0.00 0.00 46.19 42.89 2k4n s LEU 104 CO 0.10 -0.88 1.15 -1.61 0.23 0.00 0.00 176.35 175.34 2k4n s GLU 105 N 3.47 2.41 0.26 1.70 2.02 -1.26 -4.94 118.70 122.36 2k4n s GLU 105 Ca 0.36 1.56 0.12 0.00 0.02 0.00 0.00 54.97 57.03 2k4n s GLU 105 Cb -0.12 -1.89 0.27 0.00 0.10 0.00 0.00 34.13 32.50 2k4n s GLU 105 CO 0.20 -1.59 1.55 0.45 0.02 0.00 0.00 175.26 175.90 2k4n h HIS 106 N -0.24 0.00 -3.56 1.61 3.86 -2.07 -3.39 115.15 111.37 2k4n h HIS 106 Ca -0.47 0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.12 2k4n h HIS 106 Cb 1.27 0.00 -0.37 0.00 1.06 0.00 0.00 27.41 29.36 2k4n h HIS 106 CO 0.51 0.65 -0.80 -1.58 0.86 0.00 0.00 177.93 177.57 2k4n s HIS 107 N -3.36 2.49 0.39 2.45 5.65 -1.26 -5.12 115.29 116.52 2k4n s HIS 107 Ca -0.00 -1.73 -0.24 0.00 0.25 0.00 0.00 55.06 53.34 2k4n s HIS 107 Cb 0.11 -1.64 -0.10 0.00 -1.18 0.00 0.00 32.58 29.77 2k4n s HIS 107 CO 0.76 -0.77 0.99 -1.01 -0.65 0.00 0.00 174.74 174.06 2k4n s HIS 108 N 1.37 3.39 -0.03 3.88 0.09 -1.26 -4.92 115.29 117.80 2k4n s HIS 108 Ca -0.04 1.68 -0.00 0.00 -0.00 0.00 0.00 55.06 56.70 2k4n s HIS 108 Cb -0.18 -3.00 0.03 0.00 -0.00 0.00 0.00 32.58 29.43 2k4n s HIS 108 CO -0.07 -0.27 1.83 0.72 -0.00 0.00 0.00 174.74 176.95 2k4n n HIS 109 N -0.05 0.17 -1.57 1.40 8.25 -1.26 -3.07 115.22 119.08 2k4n n HIS 109 Ca 0.05 -1.01 0.01 0.00 -0.26 0.00 0.00 57.72 56.50 2k4n n HIS 109 Cb 0.51 -0.50 0.01 0.00 1.12 0.00 0.00 29.99 31.12 2k4n n HIS 109 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k4n n HIS 110 N 1.20 0.00 -1.34 4.41 8.25 -1.26 -5.21 115.22 121.27 2k4n n HIS 110 Ca 0.03 -0.08 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 2k4n n HIS 110 Cb 0.52 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2k4n n HIS 110 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56