#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k75 n GLU 3 N 0.00 2.58 -2.76 -0.52 1.02 -1.26 -1.73 120.64 117.98 3k75 n GLU 3 Ca 0.00 0.93 -0.35 0.00 -0.02 0.00 0.00 57.16 57.72 3k75 n GLU 3 Cb 0.00 -2.78 -0.06 0.00 -0.02 0.00 0.00 31.44 28.58 3k75 n GLU 3 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3k75 s ILE 4 N 1.75 4.19 -0.21 -3.67 1.01 0.55 -4.87 121.20 119.95 3k75 s ILE 4 Ca 0.79 1.62 -0.13 0.00 0.00 0.00 0.00 60.65 62.93 3k75 s ILE 4 Cb -0.56 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3k75 s ILE 4 CO 0.36 -0.05 0.28 -0.13 0.00 0.00 0.00 174.94 175.41 3k75 s ARG 5 N -2.54 4.15 -0.06 2.79 0.52 -1.26 -4.70 118.95 117.84 3k75 s ARG 5 Ca 0.56 -0.00 -0.24 0.00 -0.52 0.00 0.00 55.73 55.52 3k75 s ARG 5 Cb -0.16 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 3k75 s ARG 5 CO 0.20 0.05 0.73 -0.51 0.02 0.00 0.00 175.30 175.80 3k75 s LEU 6 N 1.06 4.32 0.00 2.53 1.43 -1.26 -3.05 118.68 123.71 3k75 s LEU 6 Ca 0.14 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3k75 s LEU 6 Cb -0.14 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 42.94 3k75 s LEU 6 CO 0.06 -0.14 0.00 -1.14 0.23 0.00 0.00 176.35 175.36 3k75 n ARG 7 N 3.82 0.00 -2.68 1.70 0.63 -0.82 -4.82 116.66 114.49 3k75 n ARG 7 Ca -0.00 0.27 -0.07 0.00 -0.92 0.00 0.00 57.85 57.12 3k75 n ARG 7 Cb 0.51 -0.77 -0.02 0.00 0.45 0.00 0.00 32.46 32.64 3k75 n ARG 7 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 3k75 n HIS 8 N -1.30 -0.81 -3.57 -0.14 1.44 -1.20 -5.01 115.22 104.63 3k75 n HIS 8 Ca 0.00 -1.06 -0.40 0.00 -2.01 0.00 0.00 57.72 54.25 3k75 n HIS 8 Cb 0.00 0.23 -0.11 0.00 0.12 0.00 0.00 29.99 30.23 3k75 n HIS 8 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 3k75 s VAL 9 N -2.60 5.13 0.06 0.61 1.01 -1.26 -1.32 120.40 122.02 3k75 s VAL 9 Ca 0.13 -0.22 -0.17 0.00 0.00 0.00 0.00 61.98 61.72 3k75 s VAL 9 Cb -0.00 -3.61 -0.15 0.00 0.00 0.00 0.00 36.38 32.62 3k75 s VAL 9 CO 0.10 0.04 1.29 0.58 0.00 0.00 0.00 175.10 177.10 3k75 h VAL 10 N 5.52 1.35 -3.31 2.92 2.07 0.13 -3.47 116.25 121.45 3k75 h VAL 10 Ca -0.32 -1.70 -0.02 0.00 0.82 0.00 0.00 66.70 65.49 3k75 h VAL 10 Cb 1.16 2.02 -0.10 0.00 -1.52 0.00 0.00 31.29 32.85 3k75 h VAL 10 CO 0.62 0.52 0.03 -0.44 0.02 0.00 0.00 177.57 178.32 3k75 s SER 11 N -6.61 -0.25 -0.30 0.57 0.01 -0.93 -4.94 113.70 101.25 3k75 s SER 11 Ca -0.13 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 56.53 3k75 s SER 11 Cb 0.06 0.59 0.17 0.00 0.21 0.00 0.00 66.02 67.05 3k75 s SER 11 CO 0.82 -1.08 0.76 0.00 0.41 0.00 0.00 173.24 174.15 3k75 h SER 13 N 7.90 0.87 -3.42 0.00 4.64 -1.61 -3.44 113.55 118.50 3k75 h SER 13 Ca -0.19 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 3k75 h SER 13 Cb 1.14 -0.21 -0.23 0.00 -0.31 0.00 0.00 62.40 62.78 3k75 h SER 13 CO 0.12 0.62 -0.10 -0.55 -0.87 0.00 0.00 176.83 176.05 3k75 s SER 14 N -6.28 -0.69 -0.12 4.97 0.15 -1.26 -4.94 113.70 105.52 3k75 s SER 14 Ca -0.11 1.19 -0.17 0.00 0.70 0.00 0.00 55.95 57.56 3k75 s SER 14 Cb 0.18 1.12 0.04 0.00 -1.71 0.00 0.00 66.02 65.65 3k75 s SER 14 CO 0.79 -0.21 0.45 0.00 1.20 0.00 0.00 173.24 175.46 3k75 s GLN 15 N 1.07 0.61 0.60 5.44 -2.07 -1.26 -4.42 119.66 119.65 3k75 s GLN 15 Ca -0.06 0.42 -0.15 0.00 -1.82 0.00 0.00 55.36 53.75 3k75 s GLN 15 Cb -0.06 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 32.12 3k75 s GLN 15 CO -0.10 -0.12 1.05 0.34 -1.32 0.00 0.00 175.29 175.14 3k75 s ASP 16 N -0.24 5.80 0.12 12.60 3.68 0.25 -3.99 116.67 134.89 3k75 s ASP 16 Ca -0.04 1.75 -0.25 0.00 2.13 0.00 0.00 52.55 56.15 3k75 s ASP 16 Cb -0.03 -2.52 -0.04 0.00 -1.45 0.00 0.00 42.92 38.87 3k75 s ASP 16 CO 0.02 -1.15 1.65 0.28 0.13 0.00 0.00 175.17 176.10 3k75 h SER 17 N 0.28 -0.66 0.55 -0.34 0.02 -1.93 -2.71 113.55 108.75 3k75 h SER 17 Ca -0.46 0.10 -0.18 0.00 -0.84 0.00 0.00 61.79 60.40 3k75 h SER 17 Cb 1.21 0.28 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 3k75 h SER 17 CO 0.58 -0.28 -1.59 0.35 -1.14 0.00 0.00 176.83 174.74 3k75 n THR 18 N -5.35 1.11 -2.75 -2.27 -2.24 -1.26 -4.28 114.28 97.24 3k75 n THR 18 Ca -0.04 -0.70 -0.38 0.00 -2.27 0.00 0.00 64.05 60.66 3k75 n THR 18 Cb 0.26 -0.64 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 3k75 n THR 18 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3k75 n HIS 19 N -2.82 2.99 -2.11 4.78 8.25 -1.18 -4.78 115.22 120.35 3k75 n HIS 19 Ca -0.12 -2.88 -0.28 0.00 -0.26 0.00 0.00 57.72 54.18 3k75 n HIS 19 Cb 0.86 -1.05 0.17 0.00 1.12 0.00 0.00 29.99 31.08 3k75 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k75 h ALA 21 N -1.36 0.90 0.00 0.00 0.00 -1.85 -3.08 119.26 113.87 3k75 h ALA 21 Ca -0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 3k75 h ALA 21 Cb 1.24 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 3k75 h ALA 21 CO 0.38 0.44 -0.12 0.93 0.00 0.00 0.00 179.25 180.87 3k75 h GLU 22 N 0.00 0.00 0.00 0.00 3.07 -1.93 -2.24 114.58 113.48 3k75 h GLU 22 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3k75 h GLU 22 Cb 0.99 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.90 3k75 h GLU 22 CO 0.05 0.12 0.00 0.09 -1.40 0.00 0.00 179.01 177.87 3k75 n ASN 23 N -3.57 0.37 0.00 1.42 4.13 -1.16 -0.67 115.26 115.78 3k75 n ASN 23 Ca -0.02 0.65 0.09 0.00 1.68 0.00 0.00 54.58 56.98 3k75 n ASN 23 Cb 0.26 -0.70 0.53 0.00 -1.54 0.00 0.00 39.78 38.32 3k75 n ASN 23 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k75 n LEU 24 N -1.97 0.00 -0.12 3.41 4.77 -0.84 -2.75 117.00 119.51 3k75 n LEU 24 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.78 3k75 n LEU 24 Cb 0.07 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 3k75 n LEU 24 CO 0.09 0.00 -1.28 0.18 -1.33 0.00 0.00 177.39 175.05 3k75 n LEU 25 N -0.87 2.40 -4.74 2.23 4.77 0.16 -4.75 117.00 116.20 3k75 n LEU 25 Ca 0.13 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.77 3k75 n LEU 25 Cb 0.06 -0.75 -0.03 0.00 -2.33 0.00 0.00 43.42 40.37 3k75 n LEU 25 CO 0.10 0.71 0.99 -0.54 -1.33 0.00 0.00 177.39 177.32 3k75 s LYS 26 N -2.45 4.38 -0.27 3.23 1.02 -1.11 -4.98 119.74 119.57 3k75 s LYS 26 Ca -0.32 2.09 -0.22 0.00 0.02 0.00 0.00 55.97 57.54 3k75 s LYS 26 Cb 0.10 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 3k75 s LYS 26 CO 0.48 -0.23 0.74 0.00 -0.92 0.00 0.00 175.35 175.41 3k75 s ALA 27 N -0.18 3.60 0.00 5.17 0.00 -1.26 -4.87 121.76 124.22 3k75 s ALA 27 Ca 0.55 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.16 3k75 s ALA 27 Cb -0.37 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3k75 s ALA 27 CO 0.41 -0.96 0.00 -3.47 0.00 0.00 0.00 175.76 171.74 3k75 n ASP 28 N 5.94 0.00 -3.15 0.00 4.64 -1.26 -5.18 116.55 117.54 3k75 n ASP 28 Ca 0.03 0.00 0.05 0.00 -1.38 0.00 0.00 54.79 53.49 3k75 n ASP 28 Cb 0.48 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.56 3k75 n ASP 28 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3k75 s THR 29 N -2.77 -0.41 0.00 5.18 -1.32 -1.26 -4.78 115.64 110.28 3k75 s THR 29 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3k75 s THR 29 Cb 0.00 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 3k75 s THR 29 CO 0.00 0.00 0.00 -2.11 -2.21 0.00 0.00 174.62 170.30 3k75 n ARG 31 N 5.23 0.00 -4.32 7.08 1.85 -1.26 -5.16 116.66 120.08 3k75 n ARG 31 Ca 0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 57.85 56.74 3k75 n ARG 31 Cb 0.56 -2.10 -0.10 0.00 -1.05 0.00 0.00 32.46 29.77 3k75 n ARG 31 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 3k75 s LYS 32 N -3.52 1.30 -0.19 2.89 1.02 -1.26 -4.83 119.74 115.14 3k75 s LYS 32 Ca 0.00 -1.65 -0.06 0.00 0.02 0.00 0.00 55.97 54.28 3k75 s LYS 32 Cb 0.00 -0.59 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 3k75 s LYS 32 CO 0.00 -0.09 0.03 -0.46 -0.92 0.00 0.00 175.35 173.91 3k75 s TRP 33 N -3.43 3.13 0.02 3.18 -0.00 -0.28 -3.30 118.94 118.26 3k75 s TRP 33 Ca 0.27 -0.19 -0.03 0.00 -0.00 0.00 0.00 56.10 56.15 3k75 s TRP 33 Cb 0.05 -2.07 -0.02 0.00 -0.00 0.00 0.00 33.47 31.43 3k75 s TRP 33 CO 0.08 -0.05 0.03 1.03 -0.00 0.00 0.00 176.95 178.04 3k75 s ARG 34 N 0.68 0.45 0.23 5.86 0.52 -0.33 -0.28 118.95 126.08 3k75 s ARG 34 Ca 0.01 -0.68 -0.31 0.00 -0.52 0.00 0.00 55.73 54.23 3k75 s ARG 34 Cb -0.14 0.17 -0.11 0.00 0.52 0.00 0.00 34.95 35.39 3k75 s ARG 34 CO 0.02 -0.09 1.64 0.00 0.02 0.00 0.00 175.30 176.89 3k75 s ALA 35 N -2.03 3.84 0.19 2.13 0.00 -0.11 -0.58 121.76 125.19 3k75 s ALA 35 Ca -0.10 1.53 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 3k75 s ALA 35 Cb -0.05 -3.66 0.15 0.00 0.00 0.00 0.00 23.12 19.56 3k75 s ALA 35 CO -0.03 -0.90 1.60 0.00 0.00 0.00 0.00 175.76 176.43 3k75 h ALA 36 N 6.14 0.06 -3.16 0.00 0.00 -1.77 -3.35 119.26 117.18 3k75 h ALA 36 Ca -0.44 0.18 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 3k75 h ALA 36 Cb 1.21 0.71 -0.33 0.00 0.00 0.00 0.00 17.79 19.37 3k75 h ALA 36 CO 0.89 -0.62 -0.81 0.15 0.00 0.00 0.00 179.25 178.86 3k75 s LYS 37 N -6.06 2.96 1.02 0.00 -0.14 -1.26 -4.80 119.74 111.47 3k75 s LYS 37 Ca -0.14 -0.87 -0.13 0.00 -1.36 0.00 0.00 55.97 53.47 3k75 s LYS 37 Cb 0.17 -2.75 0.13 0.00 -1.68 0.00 0.00 37.83 33.69 3k75 s LYS 37 CO 0.70 -0.27 0.62 0.00 -0.76 0.00 0.00 175.35 175.64 3k75 n ALA 38 N 4.64 -2.56 0.00 5.17 0.00 -1.26 -2.18 120.51 124.33 3k75 n ALA 38 Ca -0.19 -0.85 0.00 0.00 0.00 0.00 0.00 53.44 52.40 3k75 n ALA 38 Cb 0.49 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3k75 n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k75 n GLY 39 N 1.22 2.93 3.74 0.00 0.00 -1.23 -4.91 105.19 106.95 3k75 n GLY 39 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3k75 n GLY 39 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k75 s GLU 40 N -0.10 2.44 -0.15 1.61 2.02 -0.92 -4.90 118.70 118.69 3k75 s GLU 40 Ca 0.00 1.60 0.10 0.00 0.02 0.00 0.00 54.97 56.69 3k75 s GLU 40 Cb 0.00 -1.89 -0.16 0.00 0.10 0.00 0.00 34.13 32.18 3k75 s GLU 40 CO 0.00 -1.57 0.00 1.63 0.02 0.00 0.00 175.26 175.34 3k75 n LYS 41 N -2.56 1.44 -3.94 1.61 5.02 -1.26 -4.80 118.16 113.67 3k75 n LYS 41 Ca 0.12 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.33 3k75 n LYS 41 Cb 0.51 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 3k75 n LYS 41 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3k75 s THR 42 N -2.34 0.13 0.12 -0.18 -4.23 -1.26 -0.62 115.64 107.25 3k75 s THR 42 Ca -0.11 -1.06 0.01 0.00 -1.18 0.00 0.00 61.69 59.35 3k75 s THR 42 Cb 0.05 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.08 3k75 s THR 42 CO 0.54 -0.59 -0.02 0.27 -0.54 0.00 0.00 174.62 174.29 3k75 s ILE 43 N -2.33 0.53 0.02 2.99 -4.36 0.24 -4.96 121.20 113.33 3k75 s ILE 43 Ca -0.07 -1.93 -0.08 0.00 -0.26 0.00 0.00 60.65 58.31 3k75 s ILE 43 Cb -0.03 -1.87 -0.00 0.00 1.25 0.00 0.00 42.46 41.81 3k75 s ILE 43 CO -0.03 -0.69 0.15 -0.55 0.24 0.00 0.00 174.94 174.06 3k75 s SER 44 N -3.07 0.06 0.04 4.36 0.15 -1.26 -0.99 113.70 112.99 3k75 s SER 44 Ca 0.17 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.47 3k75 s SER 44 Cb 0.06 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 3k75 s SER 44 CO -0.01 -0.45 0.04 0.68 1.20 0.00 0.00 173.24 174.69 3k75 s VAL 45 N -1.98 0.16 -0.15 4.45 -7.23 -0.94 -1.35 120.40 113.37 3k75 s VAL 45 Ca -0.10 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3k75 s VAL 45 Cb -0.04 -1.05 0.02 0.00 0.56 0.00 0.00 36.38 35.87 3k75 s VAL 45 CO -0.01 -0.74 -0.14 -0.69 -0.31 0.00 0.00 175.10 173.21 3k75 s VAL 46 N -3.00 1.56 -0.13 1.32 1.01 -0.66 -1.50 120.40 118.99 3k75 s VAL 46 Ca -0.02 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 3k75 s VAL 46 Cb 0.01 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.89 3k75 s VAL 46 CO -0.06 0.45 0.02 -0.76 0.00 0.00 0.00 175.10 174.75 3k75 s LEU 47 N 1.49 3.64 0.27 3.92 1.43 -0.96 0.85 118.68 129.31 3k75 s LEU 47 Ca 0.05 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 3k75 s LEU 47 Cb -0.13 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.13 3k75 s LEU 47 CO -0.11 0.27 0.69 0.00 0.23 0.00 0.00 176.35 177.44 3k75 s GLN 48 N -0.22 4.05 0.28 1.70 1.03 -0.44 -1.36 119.66 124.69 3k75 s GLN 48 Ca 0.06 0.67 0.02 0.00 0.04 0.00 0.00 55.36 56.15 3k75 s GLN 48 Cb -0.12 -2.64 -0.03 0.00 0.03 0.00 0.00 33.01 30.25 3k75 s GLN 48 CO 0.02 0.28 0.44 -0.51 -2.54 0.00 0.00 175.29 172.98 3k75 s LEU 49 N -2.57 4.18 0.40 2.60 1.43 0.10 -1.94 118.68 122.88 3k75 s LEU 49 Ca 0.49 0.28 0.11 0.00 -1.03 0.00 0.00 54.13 53.98 3k75 s LEU 49 Cb -0.13 -3.10 0.83 0.00 0.03 0.00 0.00 46.19 43.82 3k75 s LEU 49 CO 0.19 -0.16 1.92 -0.33 0.23 0.00 0.00 176.35 178.20 3k75 h GLU 50 N 1.15 0.13 -2.58 1.70 5.08 -1.86 -3.42 114.58 114.79 3k75 h GLU 50 Ca -0.50 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 3k75 h GLU 50 Cb 1.22 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 30.29 3k75 h GLU 50 CO 0.62 0.33 0.14 0.21 -1.00 0.00 0.00 179.01 179.31 3k75 s LYS 51 N -4.60 1.12 -0.21 2.33 2.20 -1.26 -5.04 119.74 114.27 3k75 s LYS 51 Ca -0.05 -0.14 -0.34 0.00 -0.36 0.00 0.00 55.97 55.09 3k75 s LYS 51 Cb 0.15 0.52 -0.11 0.00 -1.51 0.00 0.00 37.83 36.88 3k75 s LYS 51 CO 0.72 -0.41 2.03 0.39 -0.36 0.00 0.00 175.35 177.72 3k75 n GLU 52 N 0.34 1.71 -4.09 4.03 1.02 -1.26 -4.69 120.64 117.69 3k75 n GLU 52 Ca -0.18 0.56 -0.10 0.00 -0.02 0.00 0.00 57.16 57.42 3k75 n GLU 52 Cb 0.61 -2.64 -0.08 0.00 -0.02 0.00 0.00 31.44 29.30 3k75 n GLU 52 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3k75 s GLU 53 N 5.12 1.29 -0.05 3.49 -1.05 -0.30 -4.88 118.70 122.32 3k75 s GLU 53 Ca 1.00 -1.42 -0.16 0.00 -0.15 0.00 0.00 54.97 54.24 3k75 s GLU 53 Cb -0.72 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.27 3k75 s GLU 53 CO 0.49 -0.47 0.44 -1.14 0.95 0.00 0.00 175.26 175.53 3k75 s GLN 54 N -4.07 4.14 -0.22 -4.83 0.74 -1.26 -1.89 119.66 112.26 3k75 s GLN 54 Ca 0.29 0.43 -0.19 0.00 0.05 0.00 0.00 55.36 55.94 3k75 s GLN 54 Cb 0.04 -3.32 -0.03 0.00 1.10 0.00 0.00 33.01 30.80 3k75 s GLN 54 CO 0.08 0.44 0.55 0.42 -0.55 0.00 0.00 175.29 176.23 3k75 s ILE 55 N -0.29 5.07 -0.25 -2.34 1.01 -1.26 -4.09 121.20 119.06 3k75 s ILE 55 Ca 0.25 0.99 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3k75 s ILE 55 Cb -0.16 -3.86 -0.16 0.00 0.01 0.00 0.00 42.46 38.29 3k75 s ILE 55 CO 0.12 0.12 -0.23 1.57 0.00 0.00 0.00 174.94 176.52 3k75 n HIS 56 N 5.14 0.00 -3.77 3.97 -0.00 0.44 -4.86 115.22 116.14 3k75 n HIS 56 Ca -0.04 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.55 3k75 n HIS 56 Cb 0.50 -0.94 -0.09 0.00 -0.00 0.00 0.00 29.99 29.45 3k75 n HIS 56 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 3k75 s SER 57 N -6.49 -0.21 -0.06 0.26 0.15 -1.07 -3.00 113.70 103.28 3k75 s SER 57 Ca -0.34 0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.56 3k75 s SER 57 Cb 0.09 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 3k75 s SER 57 CO 0.55 -0.34 -0.12 -0.69 1.20 0.00 0.00 173.24 173.84 3k75 s VAL 58 N -0.90 1.13 -0.04 4.45 1.01 -0.79 0.20 120.40 125.47 3k75 s VAL 58 Ca -0.10 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 3k75 s VAL 58 Cb -0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3k75 s VAL 58 CO 0.03 0.35 0.07 -1.81 0.00 0.00 0.00 175.10 173.74 3k75 s ASP 59 N 0.54 5.65 -0.09 3.32 1.01 0.20 0.53 116.67 127.83 3k75 s ASP 59 Ca -0.12 0.18 0.01 0.00 0.71 0.00 0.00 52.55 53.33 3k75 s ASP 59 Cb -0.14 -1.64 0.02 0.00 1.01 0.00 0.00 42.92 42.16 3k75 s ASP 59 CO 0.03 0.31 -0.11 -0.63 0.21 0.00 0.00 175.17 174.98 3k75 s ILE 60 N -1.10 1.14 -0.37 0.77 -1.09 -0.46 -1.33 121.20 118.76 3k75 s ILE 60 Ca 0.20 -0.43 -0.10 0.00 -2.23 0.00 0.00 60.65 58.09 3k75 s ILE 60 Cb -0.12 -1.08 0.03 0.00 -1.58 0.00 0.00 42.46 39.71 3k75 s ILE 60 CO 0.10 0.37 0.18 -0.83 -1.23 0.00 0.00 174.94 173.53 3k75 s GLY 61 N 1.07 1.91 0.38 6.18 0.00 0.13 -1.98 107.32 115.01 3k75 s GLY 61 Ca -0.07 -1.74 -0.17 0.00 0.00 0.00 0.00 44.72 42.74 3k75 s GLY 61 CO -0.01 0.83 0.84 0.21 0.00 0.00 0.00 173.10 174.96 3k75 s ASN 62 N 1.52 6.81 -0.41 1.64 2.47 -1.00 0.20 114.94 126.16 3k75 s ASN 62 Ca 0.01 1.45 0.05 0.00 0.42 0.00 0.00 52.86 54.79 3k75 s ASN 62 Cb -0.19 -2.44 0.20 0.00 -1.45 0.00 0.00 41.25 37.36 3k75 s ASN 62 CO 0.06 -0.30 0.44 -0.67 -3.72 0.00 0.00 177.10 172.90 3k75 n ASP 63 N -0.61 -0.60 0.00 -4.21 2.03 -0.95 -3.89 116.55 108.32 3k75 n ASP 63 Ca 0.05 -2.53 0.00 0.00 0.52 0.00 0.00 54.79 52.83 3k75 n ASP 63 Cb 0.54 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 3k75 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3k75 n GLY 64 N 2.41 0.82 3.82 0.27 0.00 -0.54 0.12 105.19 112.08 3k75 n GLY 64 Ca 0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3k75 n GLY 64 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k75 s SER 65 N -2.80 7.05 0.01 1.61 0.01 -1.25 -4.70 113.70 113.63 3k75 s SER 65 Ca 0.00 1.47 0.14 0.00 1.31 0.00 0.00 55.95 58.88 3k75 s SER 65 Cb 0.00 -2.44 -0.19 0.00 0.21 0.00 0.00 66.02 63.60 3k75 s SER 65 CO 0.00 -0.04 0.76 0.00 0.41 0.00 0.00 173.24 174.36 3k75 h ALA 66 N 3.11 0.71 -2.60 1.44 0.00 -0.29 -3.36 119.26 118.27 3k75 h ALA 66 Ca -0.48 -1.18 -0.12 0.00 0.00 0.00 0.00 54.91 53.14 3k75 h ALA 66 Cb 1.19 0.38 -0.18 0.00 0.00 0.00 0.00 17.79 19.17 3k75 h ALA 66 CO 0.65 1.28 -0.38 -0.06 0.00 0.00 0.00 179.25 180.74 3k75 s PHE 67 N -2.75 -0.00 -0.02 0.00 0.08 -0.92 -2.96 117.98 111.41 3k75 s PHE 67 Ca -0.04 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.88 3k75 s PHE 67 Cb 0.08 -0.00 0.02 0.00 -0.57 0.00 0.00 43.02 42.55 3k75 s PHE 67 CO 0.82 -0.40 0.01 0.08 -0.10 0.00 0.00 175.22 175.64 3k75 s VAL 68 N -2.09 0.03 0.03 -0.44 1.01 -0.06 -1.29 120.40 117.60 3k75 s VAL 68 Ca -0.09 0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3k75 s VAL 68 Cb -0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 3k75 s VAL 68 CO -0.01 0.09 -0.16 -0.70 0.00 0.00 0.00 175.10 174.32 3k75 s GLU 69 N 0.84 1.10 -0.15 2.72 2.12 -0.24 -0.05 118.70 125.03 3k75 s GLU 69 Ca -0.07 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.51 3k75 s GLU 69 Cb -0.11 -1.12 0.03 0.00 0.26 0.00 0.00 34.13 33.19 3k75 s GLU 69 CO -0.02 0.29 -0.12 0.08 -0.54 0.00 0.00 175.26 174.95 3k75 s VAL 70 N -0.73 1.49 0.39 3.70 1.01 -0.64 -0.80 120.40 124.81 3k75 s VAL 70 Ca 0.04 -0.65 0.08 0.00 0.00 0.00 0.00 61.98 61.44 3k75 s VAL 70 Cb -0.08 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3k75 s VAL 70 CO 0.01 0.38 0.26 -0.76 0.00 0.00 0.00 175.10 174.99 3k75 s LEU 71 N 1.51 3.31 0.09 3.92 1.02 0.17 -1.02 118.68 127.67 3k75 s LEU 71 Ca 0.04 -0.82 0.01 0.00 0.02 0.00 0.00 54.13 53.38 3k75 s LEU 71 Cb -0.13 -1.82 -0.04 0.00 0.02 0.00 0.00 46.19 44.21 3k75 s LEU 71 CO -0.10 -0.51 -0.06 0.68 0.02 0.00 0.00 176.35 176.38 3k75 s VAL 72 N -2.48 0.62 0.08 -1.59 -7.23 0.10 -1.42 120.40 108.48 3k75 s VAL 72 Ca 0.43 -1.84 -0.06 0.00 -1.81 0.00 0.00 61.98 58.70 3k75 s VAL 72 Cb -0.01 -1.56 0.02 0.00 0.56 0.00 0.00 36.38 35.39 3k75 s VAL 72 CO 0.25 -0.84 0.29 0.61 -0.31 0.00 0.00 175.10 175.10 3k75 n GLY 73 N 0.12 1.30 3.40 2.32 0.00 -0.65 -1.04 105.19 110.63 3k75 n GLY 73 Ca -0.13 -1.02 -0.20 0.00 0.00 0.00 0.00 46.02 44.66 3k75 n GLY 73 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k75 s SER 74 N -1.70 2.41 0.04 1.61 0.15 -1.26 -0.61 113.70 114.33 3k75 s SER 74 Ca 0.06 -1.22 -0.18 0.00 0.70 0.00 0.00 55.95 55.31 3k75 s SER 74 Cb -0.01 -0.10 -0.18 0.00 -1.71 0.00 0.00 66.02 64.02 3k75 s SER 74 CO 0.02 -0.43 1.22 0.77 1.20 0.00 0.00 173.24 176.02 3k75 h SER 75 N 2.33 0.60 -4.01 5.45 4.64 -1.86 -3.44 113.55 117.26 3k75 h SER 75 Ca -0.39 -0.65 -0.53 0.00 -0.47 0.00 0.00 61.79 59.75 3k75 h SER 75 Cb 1.23 -0.18 0.10 0.00 -0.31 0.00 0.00 62.40 63.24 3k75 h SER 75 CO 0.67 1.15 0.57 0.00 -0.87 0.00 0.00 176.83 178.35 3k75 s ALA 76 N -3.65 2.97 0.00 5.18 0.00 -1.26 -3.09 121.76 121.91 3k75 s ALA 76 Ca -0.13 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3k75 s ALA 76 Cb 0.05 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3k75 s ALA 76 CO 0.82 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.96 3k75 n GLY 77 N 0.61 0.48 7.00 0.00 0.00 -1.26 -4.87 105.19 107.15 3k75 n GLY 77 Ca 0.08 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.58 3k75 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k75 n GLY 78 N -2.94 -1.58 3.15 -0.02 0.00 -1.18 -4.91 105.19 97.71 3k75 n GLY 78 Ca 0.00 -1.24 0.04 0.00 0.00 0.00 0.00 46.02 44.83 3k75 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k75 s ALA 79 N -1.44 -2.77 0.00 4.61 0.00 -1.26 -4.70 121.76 116.20 3k75 s ALA 79 Ca 0.00 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.10 3k75 s ALA 79 Cb 0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 3k75 s ALA 79 CO 0.00 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.29 3k75 n GLY 80 N 5.35 5.02 0.00 0.00 0.00 -1.26 -5.03 105.19 109.27 3k75 n GLY 80 Ca 0.06 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.25 3k75 n GLY 80 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3k75 n GLU 81 N 0.00 0.00 -1.09 1.61 -0.58 -1.26 -3.96 120.64 115.36 3k75 n GLU 81 Ca 0.00 0.13 -0.24 0.00 -0.42 0.00 0.00 57.16 56.63 3k75 n GLU 81 Cb 0.00 -1.03 0.11 0.00 -0.57 0.00 0.00 31.44 29.94 3k75 n GLU 81 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3k75 n GLN 82 N -0.88 2.19 0.04 3.49 6.02 -1.26 -3.57 117.38 123.41 3k75 n GLN 82 Ca 0.00 -2.57 0.13 0.00 -0.01 0.00 0.00 57.00 54.55 3k75 n GLN 82 Cb 0.00 -2.01 0.37 0.00 1.02 0.00 0.00 30.24 29.62 3k75 n GLN 82 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3k75 n ASP 83 N -0.67 0.50 -4.90 1.08 4.64 -1.25 -4.91 116.55 111.03 3k75 n ASP 83 Ca 0.50 0.27 -0.34 0.00 -1.38 0.00 0.00 54.79 53.84 3k75 n ASP 83 Cb 1.07 -0.25 -0.05 0.00 -1.04 0.00 0.00 41.12 40.84 3k75 n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 3k75 s TYR 84 N -3.07 3.55 0.04 -0.67 1.51 -1.23 -4.88 117.35 112.60 3k75 s TYR 84 Ca 0.10 0.45 0.01 0.00 -1.01 0.00 0.00 57.07 56.62 3k75 s TYR 84 Cb 0.15 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 3k75 s TYR 84 CO 0.63 0.62 0.10 -2.00 -1.11 0.00 0.00 175.55 173.79 3k75 s GLU 85 N -1.94 3.06 -0.47 -0.62 2.56 -0.21 -4.88 118.70 116.19 3k75 s GLU 85 Ca 0.29 -0.56 -0.27 0.00 0.00 0.00 0.00 54.97 54.43 3k75 s GLU 85 Cb -0.13 -2.84 0.03 0.00 2.00 0.00 0.00 34.13 33.19 3k75 s GLU 85 CO 0.18 0.61 1.01 0.08 -0.56 0.00 0.00 175.26 176.59 3k75 s VAL 86 N -1.33 4.36 -0.10 3.70 1.01 -1.26 0.01 120.40 126.79 3k75 s VAL 86 Ca 0.27 0.94 -0.00 0.00 0.00 0.00 0.00 61.98 63.19 3k75 s VAL 86 Cb -0.12 -4.51 -0.00 0.00 0.00 0.00 0.00 36.38 31.75 3k75 s VAL 86 CO 0.20 -0.91 0.00 0.25 0.00 0.00 0.00 175.10 174.64 3k75 h LEU 87 N 10.84 0.00 -8.65 3.92 5.85 -1.61 -3.42 115.31 122.24 3k75 h LEU 87 Ca -0.24 -0.01 -0.65 0.00 0.84 0.00 0.00 57.88 57.83 3k75 h LEU 87 Cb 1.07 0.00 -0.24 0.00 0.37 0.00 0.00 40.66 41.86 3k75 h LEU 87 CO 1.07 0.51 -0.68 -0.22 -0.34 0.00 0.00 178.44 178.77 3k75 s LEU 88 N -8.54 3.14 0.53 2.25 2.96 -0.19 -0.56 118.68 118.26 3k75 s LEU 88 Ca -0.00 -0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 53.51 3k75 s LEU 88 Cb 0.00 -1.78 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3k75 s LEU 88 CO 0.01 0.07 0.99 0.54 -1.32 0.00 0.00 176.35 176.63 3k75 s VAL 89 N 0.95 4.57 -0.38 1.68 0.11 -1.26 -1.63 120.40 124.44 3k75 s VAL 89 Ca 0.01 1.14 -0.44 0.00 -2.93 0.00 0.00 61.98 59.75 3k75 s VAL 89 Cb -0.14 -3.75 -0.18 0.00 -1.53 0.00 0.00 36.38 30.77 3k75 s VAL 89 CO 0.01 -0.76 1.62 0.41 -3.33 0.00 0.00 175.10 173.05 3k75 n THR 90 N -1.77 0.11 -4.40 5.04 -1.04 -1.26 -4.76 114.28 106.20 3k75 n THR 90 Ca 0.06 -0.02 -0.27 0.00 -2.04 0.00 0.00 64.05 61.79 3k75 n THR 90 Cb 0.54 -0.73 -0.11 0.00 -1.82 0.00 0.00 70.33 68.21 3k75 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3k75 s SER 91 N 2.97 3.59 -0.10 8.00 0.01 0.92 -4.91 113.70 124.18 3k75 s SER 91 Ca 1.01 -0.82 -0.14 0.00 1.31 0.00 0.00 55.95 57.31 3k75 s SER 91 Cb -1.33 -0.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.52 3k75 s SER 91 CO 0.74 0.11 0.35 -0.55 0.41 0.00 0.00 173.24 174.31 3k75 s SER 92 N -2.74 6.59 0.00 2.44 0.15 -1.26 -0.88 113.70 118.00 3k75 s SER 92 Ca 0.22 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.56 3k75 s SER 92 Cb -0.08 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 3k75 s SER 92 CO 0.11 0.17 0.08 0.49 1.20 0.00 0.00 173.24 175.29 3k75 n PHE 93 N 2.97 0.00 -3.33 3.44 3.72 -1.16 -4.98 117.46 118.12 3k75 n PHE 93 Ca -0.12 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.30 3k75 n PHE 93 Cb 0.52 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.02 3k75 n PHE 93 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 3k75 s MET 94 N -0.44 0.23 0.89 -1.08 1.75 -1.25 -4.70 119.30 114.71 3k75 s MET 94 Ca 0.00 0.57 -0.12 0.00 -1.25 0.00 0.00 55.69 54.90 3k75 s MET 94 Cb 0.00 0.34 0.13 0.00 2.84 0.00 0.00 34.83 38.14 3k75 s MET 94 CO 0.00 -0.10 1.09 -1.54 -0.65 0.00 0.00 175.02 173.83 3k75 s SER 95 N 2.41 3.53 0.25 1.11 1.04 -1.26 -4.64 113.70 116.14 3k75 s SER 95 Ca -0.02 1.47 -0.04 0.00 0.48 0.00 0.00 55.95 57.84 3k75 s SER 95 Cb -0.05 -2.15 0.37 0.00 0.10 0.00 0.00 66.02 64.29 3k75 s SER 95 CO -0.17 -2.60 1.83 -0.65 0.98 0.00 0.00 173.24 172.64 3k75 h PRO 96 N -1.52 0.88 -0.36 4.02 0.11 -1.98 0.19 132.00 133.35 3k75 h PRO 96 Ca -0.49 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 3k75 h PRO 96 Cb 1.28 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3k75 h PRO 96 CO 0.55 0.58 -0.09 0.77 -0.21 0.00 0.00 178.00 179.60 3k75 h SER 97 N 0.90 0.69 -0.39 -2.05 0.02 -1.96 0.20 113.55 110.96 3k75 h SER 97 Ca 0.39 -0.36 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 3k75 h SER 97 Cb 0.27 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 3k75 h SER 97 CO -0.21 0.90 -0.21 -0.33 -1.14 0.00 0.00 176.83 175.84 3k75 h GLU 98 N 0.48 0.89 -0.47 3.45 5.08 -1.83 -2.81 114.58 119.36 3k75 h GLU 98 Ca 0.09 -0.36 -0.10 0.00 -1.00 0.00 0.00 59.36 57.99 3k75 h GLU 98 Cb 0.59 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 3k75 h GLU 98 CO 0.04 1.01 -0.09 0.77 -1.00 0.00 0.00 179.01 179.73 3k75 h SER 99 N 0.77 0.90 0.52 1.42 0.02 -0.80 0.24 113.55 116.62 3k75 h SER 99 Ca 0.11 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3k75 h SER 99 Cb 0.75 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3k75 h SER 99 CO 0.06 1.04 0.00 0.03 -1.14 0.00 0.00 176.83 176.82 3k75 h ARG 100 N 0.74 0.00 0.00 3.45 3.08 -0.85 -2.99 114.38 117.81 3k75 h ARG 100 Ca 0.12 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.12 3k75 h ARG 100 Cb 0.63 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.56 3k75 h ARG 100 CO 0.04 0.00 -0.58 -1.13 -1.07 0.00 0.00 179.97 177.23 3k75 n SER 101 N -2.58 1.27 -4.29 7.04 3.41 -0.75 -5.01 113.62 112.70 3k75 n SER 101 Ca 0.00 -2.78 -0.32 0.00 -0.26 0.00 0.00 58.87 55.51 3k75 n SER 101 Cb 0.18 -0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 63.66 3k75 n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k75 n GLY 102 N -0.45 -0.16 3.54 5.00 0.00 0.63 -4.92 105.19 108.83 3k75 n GLY 102 Ca 0.11 0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 3k75 n GLY 102 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k75 s SER 103 N -4.17 4.61 -1.17 1.61 0.01 0.02 -4.68 113.70 109.94 3k75 s SER 103 Ca 0.13 -0.08 -0.10 0.00 1.31 0.00 0.00 55.95 57.21 3k75 s SER 103 Cb -0.07 -1.35 -0.02 0.00 0.21 0.00 0.00 66.02 64.78 3k75 s SER 103 CO 0.97 0.30 0.81 0.59 0.41 0.00 0.00 173.24 176.32 3k75 n ASN 104 N 2.66 -4.34 0.07 2.44 4.13 -1.26 -4.62 115.26 114.34 3k75 n ASN 104 Ca -0.18 -0.86 0.12 0.00 1.68 0.00 0.00 54.58 55.34 3k75 n ASN 104 Cb 0.53 -4.18 0.46 0.00 -1.54 0.00 0.00 39.78 35.04 3k75 n ASN 104 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3k75 n PRO 105 N -3.93 0.14 -0.86 3.52 -0.02 -1.26 -4.03 135.00 128.55 3k75 n PRO 105 Ca -0.16 0.24 -0.02 0.00 -2.02 0.00 0.00 63.50 61.54 3k75 n PRO 105 Cb 0.63 -1.70 0.29 0.00 -0.02 0.00 0.00 33.50 32.70 3k75 n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3k75 n ASN 106 N -1.95 4.39 -4.77 2.55 5.03 -1.26 -1.47 115.26 117.78 3k75 n ASN 106 Ca 0.04 -3.24 -0.40 0.00 0.87 0.00 0.00 54.58 51.86 3k75 n ASN 106 Cb 0.30 -0.69 -0.01 0.00 -1.02 0.00 0.00 39.78 38.37 3k75 n ASN 106 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 3k75 s ARG 107 N -2.98 4.11 0.05 3.52 3.52 -1.26 -4.69 118.95 121.22 3k75 s ARG 107 Ca 0.51 2.23 0.07 0.00 -0.13 0.00 0.00 55.73 58.41 3k75 s ARG 107 Cb 0.41 -2.89 -0.02 0.00 -1.56 0.00 0.00 34.95 30.89 3k75 s ARG 107 CO 0.11 -0.40 -0.19 0.54 -0.81 0.00 0.00 175.30 174.55 3k75 s VAL 108 N -1.20 1.56 0.02 7.11 0.11 -1.26 -2.37 120.40 124.37 3k75 s VAL 108 Ca 0.54 -1.17 0.00 0.00 -2.93 0.00 0.00 61.98 58.41 3k75 s VAL 108 Cb -0.40 -1.37 -0.02 0.00 -1.53 0.00 0.00 36.38 33.07 3k75 s VAL 108 CO 0.52 0.15 -0.03 -0.13 -3.33 0.00 0.00 175.10 172.28 3k75 s ARG 109 N -1.20 0.30 -0.04 1.54 0.52 -0.84 -5.02 118.95 114.21 3k75 s ARG 109 Ca 0.06 -0.55 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3k75 s ARG 109 Cb -0.09 0.05 -0.03 0.00 0.52 0.00 0.00 34.95 35.41 3k75 s ARG 109 CO 0.02 -0.03 -0.04 -1.64 0.02 0.00 0.00 175.30 173.62 3k75 s MET 110 N -1.30 2.74 -0.45 3.54 -1.94 -1.26 -1.35 119.30 119.28 3k75 s MET 110 Ca -0.14 -0.59 0.02 0.00 -1.71 0.00 0.00 55.69 53.28 3k75 s MET 110 Cb -0.09 -2.61 0.13 0.00 2.01 0.00 0.00 34.83 34.27 3k75 s MET 110 CO -0.01 0.65 0.24 -0.06 -0.01 0.00 0.00 175.02 175.83 3k75 s PHE 111 N -0.93 2.09 1.15 -0.03 0.40 0.19 -4.99 117.98 115.86 3k75 s PHE 111 Ca 0.15 -2.49 -0.16 0.00 -0.60 0.00 0.00 56.93 53.83 3k75 s PHE 111 Cb -0.11 -1.97 0.26 0.00 0.51 0.00 0.00 43.02 41.71 3k75 s PHE 111 CO 0.05 -0.78 1.06 0.20 0.70 0.00 0.00 175.22 176.45 3k75 s GLY 112 N 0.30 1.54 0.21 4.36 0.00 -1.26 -1.88 107.32 110.58 3k75 s GLY 112 Ca 0.18 -0.52 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 3k75 s GLY 112 CO 0.00 0.24 1.66 -2.55 0.00 0.00 0.00 173.10 172.46 3k75 h PRO 113 N -2.48 0.11 -0.64 2.90 0.11 -1.94 0.27 132.00 130.33 3k75 h PRO 113 Ca -0.53 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.64 3k75 h PRO 113 Cb 1.33 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.37 3k75 h PRO 113 CO 0.47 0.07 0.42 0.38 -0.21 0.00 0.00 178.00 179.14 3k75 h ASP 114 N 0.12 0.53 -0.06 -2.05 -0.00 -1.91 -1.40 116.42 111.65 3k75 h ASP 114 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 3k75 h ASP 114 Cb 0.51 -0.11 0.00 0.00 -0.00 0.00 0.00 39.33 39.73 3k75 h ASP 114 CO -0.52 0.34 0.00 0.29 -0.00 0.00 0.00 179.24 179.35 3k75 n LYS 115 N -4.48 1.19 -4.05 4.15 5.02 0.08 -4.78 118.16 115.28 3k75 n LYS 115 Ca 0.09 -0.28 -0.26 0.00 -2.02 0.00 0.00 58.31 55.84 3k75 n LYS 115 Cb 0.26 -1.22 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 3k75 n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3k75 s LEU 116 N -1.36 3.92 -0.40 -0.35 1.43 -0.53 -4.75 118.68 116.64 3k75 s LEU 116 Ca 0.20 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.95 3k75 s LEU 116 Cb 0.10 -2.52 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 3k75 s LEU 116 CO 0.15 0.06 1.72 0.68 0.23 0.00 0.00 176.35 179.20 3k75 s VAL 117 N -1.76 3.55 0.26 -1.59 -7.23 0.27 -4.85 120.40 109.06 3k75 s VAL 117 Ca 0.32 0.53 -0.02 0.00 -1.81 0.00 0.00 61.98 61.00 3k75 s VAL 117 Cb -0.10 -3.83 0.25 0.00 0.56 0.00 0.00 36.38 33.26 3k75 s VAL 117 CO 0.24 -0.59 1.84 0.03 -0.31 0.00 0.00 175.10 176.31 3k75 h ARG 118 N 12.74 0.93 -0.61 4.82 3.08 -1.88 -2.27 114.38 131.19 3k75 h ARG 118 Ca -0.31 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 59.76 3k75 h ARG 118 Cb 1.15 -0.21 -0.10 0.00 0.08 0.00 0.00 29.97 30.89 3k75 h ARG 118 CO 1.08 0.61 -0.54 0.00 -1.07 0.00 0.00 179.97 180.05 3k75 h ALA 119 N 1.48 -0.61 -0.01 0.04 0.00 -1.96 -1.82 119.26 116.37 3k75 h ALA 119 Ca 0.44 0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.27 3k75 h ALA 119 Cb 0.35 1.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3k75 h ALA 119 CO -0.23 -0.98 -0.61 0.00 0.00 0.00 0.00 179.25 177.43 3k75 h ALA 120 N 0.26 0.96 0.00 0.00 0.00 -1.73 -3.16 119.26 115.60 3k75 h ALA 120 Ca 0.12 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3k75 h ALA 120 Cb 0.54 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3k75 h ALA 120 CO -0.71 0.75 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3k75 h ALA 121 N 1.35 1.00 -0.48 0.00 0.00 -0.97 -2.72 119.26 117.44 3k75 h ALA 121 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3k75 h ALA 121 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3k75 h ALA 121 CO 0.08 0.00 -0.18 1.49 0.00 0.00 0.00 179.25 180.64 3k75 h GLU 122 N 0.00 0.97 -7.43 0.00 4.57 -1.32 -3.41 114.58 107.97 3k75 h GLU 122 Ca 0.00 -0.40 -0.45 0.00 -1.18 0.00 0.00 59.36 57.32 3k75 h GLU 122 Cb 0.70 -0.04 0.15 0.00 -0.16 0.00 0.00 28.75 29.40 3k75 h GLU 122 CO 0.00 1.08 0.23 0.15 -1.18 0.00 0.00 179.01 179.29 3k75 s LYS 123 N -4.71 0.55 0.14 1.92 1.02 -1.03 -5.02 119.74 112.61 3k75 s LYS 123 Ca -0.12 0.34 0.09 0.00 0.02 0.00 0.00 55.97 56.30 3k75 s LYS 123 Cb 0.12 -1.77 -0.04 0.00 -0.52 0.00 0.00 37.83 35.62 3k75 s LYS 123 CO 0.86 -2.61 -0.20 -0.98 -0.92 0.00 0.00 175.35 171.50 3k75 s ARG 124 N -5.15 1.23 0.34 1.68 1.70 -1.26 -4.49 118.95 112.99 3k75 s ARG 124 Ca 0.65 -1.31 0.05 0.00 -0.47 0.00 0.00 55.73 54.65 3k75 s ARG 124 Cb -0.16 -1.41 -0.02 0.00 -0.57 0.00 0.00 34.95 32.79 3k75 s ARG 124 CO 0.56 0.31 0.33 -1.58 -1.08 0.00 0.00 175.30 173.84 3k75 s TRP 125 N -1.60 1.58 0.00 5.89 0.52 -0.79 -4.88 118.94 119.66 3k75 s TRP 125 Ca 0.12 -1.58 0.00 0.00 0.02 0.00 0.00 56.10 54.66 3k75 s TRP 125 Cb -0.08 -0.55 0.00 0.00 -1.15 0.00 0.00 33.47 31.69 3k75 s TRP 125 CO 0.06 -0.95 0.57 -0.40 0.02 0.00 0.00 176.95 176.25 3k75 n ASP 126 N -1.53 0.00 -4.04 2.95 5.68 -0.72 -1.15 116.55 117.74 3k75 n ASP 126 Ca 0.06 -1.30 -0.10 0.00 -0.50 0.00 0.00 54.79 52.95 3k75 n ASP 126 Cb 0.62 -0.06 -0.11 0.00 -1.14 0.00 0.00 41.12 40.43 3k75 n ASP 126 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 3k75 s ARG 127 N 0.00 0.47 -0.22 0.11 1.81 0.22 0.01 118.95 121.34 3k75 s ARG 127 Ca 0.00 -0.80 -0.04 0.00 -1.72 0.00 0.00 55.73 53.17 3k75 s ARG 127 Cb 0.00 -0.04 0.09 0.00 -0.45 0.00 0.00 34.95 34.55 3k75 s ARG 127 CO 0.00 -0.02 0.15 0.08 -0.68 0.00 0.00 175.30 174.83 3k75 s VAL 128 N -1.94 -0.18 0.05 3.52 1.01 -0.46 -1.64 120.40 120.76 3k75 s VAL 128 Ca -0.09 -0.33 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3k75 s VAL 128 Cb -0.06 -0.74 -0.08 0.00 0.00 0.00 0.00 36.38 35.49 3k75 s VAL 128 CO -0.02 -0.39 1.65 -0.75 0.00 0.00 0.00 175.10 175.59 3k75 s LYS 129 N 2.20 4.20 -0.17 2.72 2.20 -0.50 -2.28 119.74 128.11 3k75 s LYS 129 Ca 0.06 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 3k75 s LYS 129 Cb -0.16 -3.65 0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3k75 s LYS 129 CO -0.19 -0.75 -0.09 0.42 -0.36 0.00 0.00 175.35 174.38 3k75 s ILE 130 N 2.82 1.42 -0.25 5.43 1.01 -0.56 0.41 121.20 131.48 3k75 s ILE 130 Ca 0.74 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 60.56 3k75 s ILE 130 Cb -0.39 -1.48 -0.03 0.00 0.01 0.00 0.00 42.46 40.57 3k75 s ILE 130 CO 0.32 0.24 0.08 -0.69 0.00 0.00 0.00 174.94 174.88 3k75 s VAL 131 N 1.51 4.38 -0.16 2.92 1.01 0.02 -2.20 120.40 127.88 3k75 s VAL 131 Ca 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 61.81 3k75 s VAL 131 Cb -0.15 -3.05 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 3k75 s VAL 131 CO -0.09 0.34 -0.04 0.00 0.00 0.00 0.00 175.10 175.32 3k75 s SER 133 N 0.49 3.77 -0.36 0.00 0.01 -0.41 -0.59 113.70 116.62 3k75 s SER 133 Ca -0.03 -0.70 -0.04 0.00 1.31 0.00 0.00 55.95 56.49 3k75 s SER 133 Cb -0.14 -0.46 0.19 0.00 0.21 0.00 0.00 66.02 65.82 3k75 s SER 133 CO 0.03 0.13 0.92 -1.58 0.41 0.00 0.00 173.24 173.15 3k75 s GLN 134 N -2.56 0.39 0.00 12.44 2.00 0.21 0.43 119.66 132.57 3k75 s GLN 134 Ca 0.21 -0.16 0.21 0.00 -2.00 0.00 0.00 55.36 53.62 3k75 s GLN 134 Cb -0.09 0.04 0.16 0.00 0.80 0.00 0.00 33.01 33.92 3k75 s GLN 134 CO 0.11 -0.56 1.15 -0.35 -0.50 0.00 0.00 175.29 175.14 3k75 n PRO 135 N 3.82 1.86 -0.33 1.67 -0.04 -1.26 -4.43 135.00 136.29 3k75 n PRO 135 Ca 0.08 -1.70 0.11 0.00 -0.04 0.00 0.00 63.50 61.94 3k75 n PRO 135 Cb 0.61 -1.40 0.29 0.00 -0.04 0.00 0.00 33.50 32.97 3k75 n PRO 135 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3k75 n TYR 136 N 1.12 0.87 -3.60 0.54 4.01 -1.26 -4.87 117.16 113.96 3k75 n TYR 136 Ca 0.12 -0.43 -0.16 0.00 -0.16 0.00 0.00 57.90 57.26 3k75 n TYR 136 Cb 0.51 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.47 3k75 n TYR 136 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3k75 s SER 137 N -1.04 -0.54 -0.07 7.72 0.15 -1.26 -3.83 113.70 114.83 3k75 s SER 137 Ca 0.45 0.66 0.10 0.00 0.70 0.00 0.00 55.95 57.85 3k75 s SER 137 Cb 0.23 0.61 0.15 0.00 -1.71 0.00 0.00 66.02 65.30 3k75 s SER 137 CO 0.31 -0.50 1.03 0.29 1.20 0.00 0.00 173.24 175.57 3k75 n LYS 138 N 1.33 1.30 -0.02 5.44 5.02 -1.26 -4.44 118.16 125.53 3k75 n LYS 138 Ca -0.19 -1.87 -0.03 0.00 -2.02 0.00 0.00 58.31 54.20 3k75 n LYS 138 Cb 0.57 -1.12 -0.01 0.00 -0.02 0.00 0.00 35.03 34.45 3k75 n LYS 138 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3k75 n ASP 139 N -0.84 1.19 -4.76 4.39 8.00 -1.26 -3.47 116.55 119.80 3k75 n ASP 139 Ca 0.08 0.18 -0.41 0.00 0.71 0.00 0.00 54.79 55.35 3k75 n ASP 139 Cb 0.56 -0.48 -0.02 0.00 -0.02 0.00 0.00 41.12 41.16 3k75 n ASP 139 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3k75 s SER 140 N -5.63 6.60 0.65 -2.24 0.01 -1.26 -4.71 113.70 107.12 3k75 s SER 140 Ca -0.11 2.78 -0.18 0.00 1.31 0.00 0.00 55.95 59.75 3k75 s SER 140 Cb 0.02 -2.64 -0.01 0.00 0.21 0.00 0.00 66.02 63.59 3k75 s SER 140 CO 0.17 -0.70 1.28 -2.65 0.41 0.00 0.00 173.24 171.75 3k75 n PRO 141 N 1.36 1.07 -3.71 12.44 -0.02 -1.26 -4.68 135.00 140.20 3k75 n PRO 141 Ca 0.03 0.42 -0.14 0.00 -2.02 0.00 0.00 63.50 61.80 3k75 n PRO 141 Cb 0.40 -2.52 -0.09 0.00 -0.02 0.00 0.00 33.50 31.28 3k75 n PRO 141 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3k75 s PHE 142 N -1.42 -0.47 0.00 6.00 -0.12 -1.26 -4.62 117.98 116.10 3k75 s PHE 142 Ca 0.82 1.07 0.00 0.00 -0.05 0.00 0.00 56.93 58.77 3k75 s PHE 142 Cb -0.38 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.19 3k75 s PHE 142 CO 0.41 -0.30 0.00 0.41 -0.05 0.00 0.00 175.22 175.68 3k75 n GLY 143 N 2.39 -0.81 3.07 1.99 0.00 0.12 -0.93 105.19 111.02 3k75 n GLY 143 Ca -0.15 0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 3k75 n GLY 143 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k75 s LEU 144 N 0.00 2.20 -0.08 0.99 1.43 0.62 -2.24 118.68 121.61 3k75 s LEU 144 Ca 0.00 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.40 3k75 s LEU 144 Cb 0.00 -0.28 -0.30 0.00 0.03 0.00 0.00 46.19 45.64 3k75 s LEU 144 CO 0.00 -0.11 0.83 -1.28 0.23 0.00 0.00 176.35 176.02 3k75 h SER 145 N 4.80 0.34 -5.36 2.29 0.87 0.21 -0.71 113.55 115.98 3k75 h SER 145 Ca -0.35 -0.95 0.17 0.00 -1.23 0.00 0.00 61.79 59.43 3k75 h SER 145 Cb 1.20 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.98 3k75 h SER 145 CO 0.43 1.31 0.53 0.72 -0.53 0.00 0.00 176.83 179.29 3k75 s PHE 146 N -2.38 -0.04 -0.20 2.24 -0.12 -0.74 -4.63 117.98 112.11 3k75 s PHE 146 Ca -0.16 -0.31 -0.15 0.00 -0.05 0.00 0.00 56.93 56.27 3k75 s PHE 146 Cb 0.00 0.67 0.06 0.00 -0.63 0.00 0.00 43.02 43.12 3k75 s PHE 146 CO 0.79 -0.88 0.52 0.54 -0.05 0.00 0.00 175.22 176.14 3k75 s VAL 147 N -2.79 -0.01 -0.12 -2.49 0.11 -1.26 0.21 120.40 114.04 3k75 s VAL 147 Ca 0.16 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.24 3k75 s VAL 147 Cb -0.02 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.11 3k75 s VAL 147 CO 0.04 0.01 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.60 3k75 s ARG 148 N 0.96 1.63 0.05 1.54 0.52 -0.44 -4.98 118.95 118.23 3k75 s ARG 148 Ca -0.05 -0.30 -0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3k75 s ARG 148 Cb -0.06 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.72 3k75 s ARG 148 CO -0.08 -0.26 0.20 -0.06 0.02 0.00 0.00 175.30 175.12 3k75 s PHE 149 N 1.66 3.50 0.05 -0.53 0.08 -1.26 0.60 117.98 122.08 3k75 s PHE 149 Ca 0.05 0.26 0.04 0.00 0.12 0.00 0.00 56.93 57.39 3k75 s PHE 149 Cb -0.13 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.54 3k75 s PHE 149 CO -0.08 0.59 -0.12 -1.01 -0.10 0.00 0.00 175.22 174.50 3k75 s HIS 150 N -1.47 1.02 0.22 0.36 3.76 0.13 -0.33 115.29 118.98 3k75 s HIS 150 Ca 0.33 -0.42 0.07 0.00 -0.15 0.00 0.00 55.06 54.90 3k75 s HIS 150 Cb -0.13 -0.59 -0.04 0.00 1.11 0.00 0.00 32.58 32.93 3k75 s HIS 150 CO 0.26 0.01 0.09 -1.54 -0.85 0.00 0.00 174.74 172.71 3k75 s SER 151 N -1.42 5.13 0.79 1.40 1.04 -0.70 0.17 113.70 120.11 3k75 s SER 151 Ca -0.03 -0.34 -0.14 0.00 0.48 0.00 0.00 55.95 55.92 3k75 s SER 151 Cb -0.09 -1.20 0.04 0.00 0.10 0.00 0.00 66.02 64.87 3k75 s SER 151 CO 0.01 0.02 0.96 -2.65 0.98 0.00 0.00 173.24 172.57 3k75 n PRO 152 N -0.68 0.23 0.00 4.02 -0.02 -1.26 -3.02 135.00 134.27 3k75 n PRO 152 Ca -0.08 0.14 0.07 0.00 -2.02 0.00 0.00 63.50 61.61 3k75 n PRO 152 Cb 0.57 -2.23 0.43 0.00 -0.02 0.00 0.00 33.50 32.24 3k75 n PRO 152 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18