#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k75 s GLU 3 N 0.00 4.22 -0.44 -0.52 2.12 -1.26 -2.49 118.70 120.33 3k75 s GLU 3 Ca 0.00 2.32 -0.28 0.00 0.36 0.00 0.00 54.97 57.38 3k75 s GLU 3 Cb 0.00 -3.32 0.03 0.00 0.26 0.00 0.00 34.13 31.10 3k75 s GLU 3 CO 0.00 -0.64 1.05 0.42 -0.54 0.00 0.00 175.26 175.56 3k75 s ILE 4 N 1.66 4.36 0.37 -3.70 1.01 0.56 -4.99 121.20 120.47 3k75 s ILE 4 Ca 0.71 1.19 -0.27 0.00 0.00 0.00 0.00 60.65 62.28 3k75 s ILE 4 Cb -0.42 -4.50 -0.09 0.00 0.01 0.00 0.00 42.46 37.46 3k75 s ILE 4 CO 0.31 -0.83 1.22 -0.13 0.00 0.00 0.00 174.94 175.52 3k75 s ARG 5 N 4.04 4.19 -0.18 2.79 0.52 -1.26 -4.61 118.95 124.44 3k75 s ARG 5 Ca 0.44 2.00 -0.08 0.00 -0.52 0.00 0.00 55.73 57.57 3k75 s ARG 5 Cb -0.09 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3k75 s ARG 5 CO 0.26 -0.25 0.07 -0.51 0.02 0.00 0.00 175.30 174.89 3k75 s LEU 6 N -2.16 3.86 0.00 2.53 1.43 -1.26 -4.95 118.68 118.12 3k75 s LEU 6 Ca 0.53 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.73 3k75 s LEU 6 Cb -0.35 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 43.90 3k75 s LEU 6 CO 0.45 0.18 0.16 0.54 0.23 0.00 0.00 176.35 177.91 3k75 n ARG 7 N 3.49 0.00 -3.76 1.70 5.12 -1.14 -4.95 116.66 117.13 3k75 n ARG 7 Ca -0.17 0.35 -0.10 0.00 -1.93 0.00 0.00 57.85 56.01 3k75 n ARG 7 Cb 0.52 -0.95 -0.04 0.00 -1.16 0.00 0.00 32.46 30.83 3k75 n ARG 7 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 3k75 s HIS 8 N -1.03 -0.05 -0.21 -1.55 -3.43 -1.19 -5.02 115.29 102.81 3k75 s HIS 8 Ca 0.00 -0.29 -0.24 0.00 -0.80 0.00 0.00 55.06 53.73 3k75 s HIS 8 Cb 0.00 0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 31.46 3k75 s HIS 8 CO 0.00 -0.87 0.81 0.08 -2.00 0.00 0.00 174.74 172.76 3k75 s VAL 9 N -3.88 4.87 -0.05 -5.38 1.01 -1.26 0.11 120.40 115.82 3k75 s VAL 9 Ca 0.10 1.56 -0.02 0.00 0.00 0.00 0.00 61.98 63.61 3k75 s VAL 9 Cb -0.00 -4.11 -0.27 0.00 0.00 0.00 0.00 36.38 32.00 3k75 s VAL 9 CO -0.03 -0.02 0.65 1.62 0.00 0.00 0.00 175.10 177.32 3k75 h VAL 10 N 5.32 0.91 -3.64 2.92 3.04 -1.62 -3.46 116.25 119.73 3k75 h VAL 10 Ca -0.26 -2.61 -0.07 0.00 -1.01 0.00 0.00 66.70 62.75 3k75 h VAL 10 Cb 1.11 2.62 -0.13 0.00 -2.01 0.00 0.00 31.29 32.88 3k75 h VAL 10 CO 0.85 0.79 -0.22 -0.94 -1.01 0.00 0.00 177.57 177.04 3k75 s SER 11 N -6.86 -0.05 -0.30 3.17 1.04 -1.15 -5.02 113.70 104.53 3k75 s SER 11 Ca -0.13 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 3k75 s SER 11 Cb 0.07 0.43 0.14 0.00 0.10 0.00 0.00 66.02 66.75 3k75 s SER 11 CO 0.82 -0.84 0.75 0.00 0.98 0.00 0.00 173.24 174.95 3k75 h SER 13 N 7.74 0.41 -2.11 0.00 4.64 -1.84 -3.44 113.55 118.96 3k75 h SER 13 Ca -0.19 -0.30 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 3k75 h SER 13 Cb 1.12 -0.12 -0.24 0.00 -0.31 0.00 0.00 62.40 62.84 3k75 h SER 13 CO 0.10 1.05 -0.27 -0.55 -0.87 0.00 0.00 176.83 176.29 3k75 s SER 14 N -6.98 -0.68 0.01 4.97 0.15 -1.26 -4.99 113.70 104.93 3k75 s SER 14 Ca -0.05 1.15 0.03 0.00 0.70 0.00 0.00 55.95 57.78 3k75 s SER 14 Cb 0.10 1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 66.19 3k75 s SER 14 CO 0.84 -0.24 -0.09 0.00 1.20 0.00 0.00 173.24 174.95 3k75 s GLN 15 N 2.75 0.68 0.39 5.44 -2.07 -1.26 -4.47 119.66 121.12 3k75 s GLN 15 Ca 0.00 -0.49 -0.24 0.00 -1.82 0.00 0.00 55.36 52.81 3k75 s GLN 15 Cb -0.13 -0.63 -0.09 0.00 -1.09 0.00 0.00 33.01 31.08 3k75 s GLN 15 CO -0.16 0.16 1.07 0.34 -1.32 0.00 0.00 175.29 175.37 3k75 s ASP 16 N -0.69 6.74 0.27 12.60 3.68 0.18 -4.48 116.67 134.97 3k75 s ASP 16 Ca 0.00 2.09 0.00 0.00 2.13 0.00 0.00 52.55 56.77 3k75 s ASP 16 Cb -0.06 -2.59 0.58 0.00 -1.45 0.00 0.00 42.92 39.41 3k75 s ASP 16 CO 0.00 -0.51 1.75 0.77 0.13 0.00 0.00 175.17 177.32 3k75 h SER 17 N 2.56 0.53 0.04 -0.34 4.64 -1.93 -2.08 113.55 116.98 3k75 h SER 17 Ca -0.48 0.10 -0.37 0.00 -0.47 0.00 0.00 61.79 60.57 3k75 h SER 17 Cb 1.22 0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 3k75 h SER 17 CO 0.62 0.19 -2.17 0.35 -0.87 0.00 0.00 176.83 174.96 3k75 n THR 18 N -4.88 1.61 -2.19 2.95 -2.24 -1.26 -4.44 114.28 103.82 3k75 n THR 18 Ca 0.18 -0.51 -0.42 0.00 -2.27 0.00 0.00 64.05 61.04 3k75 n THR 18 Cb 0.48 -1.68 0.00 0.00 -2.10 0.00 0.00 70.33 67.04 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 -3.63 2.91 -1.62 4.78 8.25 -1.12 -4.81 115.22 119.98 3k75 n HIS 19 Ca -0.41 -2.82 -0.12 0.00 -0.26 0.00 0.00 57.72 54.11 3k75 n HIS 19 Cb 0.96 -2.00 0.08 0.00 1.12 0.00 0.00 29.99 30.15 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 -1.61 0.41 0.00 0.00 0.00 -1.87 -3.28 119.26 112.92 3k75 h ALA 21 Ca -0.18 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 53.95 3k75 h ALA 21 Cb 0.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3k75 h ALA 21 CO 0.14 0.96 0.00 0.39 0.00 0.00 0.00 179.25 180.74 3k75 n GLU 22 N -3.60 0.09 0.00 0.00 4.71 -1.26 0.06 120.64 120.63 3k75 n GLU 22 Ca -0.04 0.57 0.12 0.00 -0.01 0.00 0.00 57.16 57.80 3k75 n GLU 22 Cb 0.86 -1.78 0.55 0.00 -1.01 0.00 0.00 31.44 30.07 3k75 n GLU 22 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3k75 n ASN 23 N -1.96 0.01 0.10 1.62 3.02 -1.24 -2.99 115.26 113.82 3k75 n ASN 23 Ca -0.01 0.50 -0.05 0.00 -0.03 0.00 0.00 54.58 54.99 3k75 n ASN 23 Cb 0.03 -0.50 0.07 0.00 -0.61 0.00 0.00 39.78 38.77 3k75 n ASN 23 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3k75 h LEU 24 N 0.00 0.16 0.00 3.41 3.38 -0.61 -2.74 115.31 118.91 3k75 h LEU 24 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3k75 h LEU 24 Cb 0.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3k75 h LEU 24 CO 0.00 0.83 0.00 0.18 0.09 0.00 0.00 178.44 179.54 3k75 n LEU 25 N -3.74 0.00 -4.12 1.67 7.99 -1.16 -4.63 117.00 113.01 3k75 n LEU 25 Ca -0.02 0.22 -0.33 0.00 -0.01 0.00 0.00 56.01 55.87 3k75 n LEU 25 Cb 0.71 -0.22 -0.15 0.00 -0.11 0.00 0.00 43.42 43.64 3k75 n LEU 25 CO 0.45 -0.05 -0.48 -0.54 -1.51 0.00 0.00 177.39 175.26 3k75 s LYS 26 N -2.44 2.69 0.14 3.23 1.02 -1.03 -4.91 119.74 118.44 3k75 s LYS 26 Ca 0.26 -1.04 -0.31 0.00 0.02 0.00 0.00 55.97 54.89 3k75 s LYS 26 Cb 0.16 -2.76 -0.08 0.00 -0.52 0.00 0.00 37.83 34.63 3k75 s LYS 26 CO 0.34 -0.37 1.32 0.00 -0.92 0.00 0.00 175.35 175.72 3k75 s ALA 27 N 1.23 3.53 -0.27 5.17 0.00 -1.26 -4.91 121.76 125.24 3k75 s ALA 27 Ca -0.01 1.06 -0.00 0.00 0.00 0.00 0.00 51.96 53.01 3k75 s ALA 27 Cb -0.16 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3k75 s ALA 27 CO -0.09 -0.54 0.01 -3.47 0.00 0.00 0.00 175.76 171.67 3k75 n ASP 28 N 3.44 -7.72 0.00 0.00 -0.08 -1.26 -5.17 116.55 105.75 3k75 n ASP 28 Ca 0.09 1.32 0.00 0.00 -1.51 0.00 0.00 54.79 54.69 3k75 n ASP 28 Cb 0.43 -4.91 0.00 0.00 2.34 0.00 0.00 41.12 38.98 3k75 n ASP 28 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 3k75 n ARG 31 N 0.80 0.00 -4.14 -0.67 1.85 -1.26 -5.22 116.66 108.03 3k75 n ARG 31 Ca -0.01 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.56 3k75 n ARG 31 Cb 0.07 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 2.61 -0.18 2.89 1.02 -1.26 -4.61 119.74 120.21 3k75 s LYS 32 Ca 0.00 -0.92 -0.05 0.00 0.02 0.00 0.00 55.97 55.02 3k75 s LYS 32 Cb 0.00 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.76 3k75 s LYS 32 CO 0.00 0.50 -0.01 -0.46 -0.92 0.00 0.00 175.35 174.46 3k75 s TRP 33 N -1.56 3.06 0.03 3.18 -0.00 -0.86 -3.55 118.94 119.25 3k75 s TRP 33 Ca 0.28 -0.32 -0.03 0.00 -0.00 0.00 0.00 56.10 56.03 3k75 s TRP 33 Cb -0.11 -2.02 -0.02 0.00 -0.00 0.00 0.00 33.47 31.32 3k75 s TRP 33 CO 0.20 -0.10 0.03 1.03 -0.00 0.00 0.00 176.95 178.11 3k75 s ARG 34 N 0.62 0.50 0.79 5.86 0.52 -0.49 -1.93 118.95 124.83 3k75 s ARG 34 Ca -0.01 -0.80 -0.11 0.00 -0.52 0.00 0.00 55.73 54.29 3k75 s ARG 34 Cb -0.14 0.19 0.07 0.00 0.52 0.00 0.00 34.95 35.59 3k75 s ARG 34 CO 0.02 -0.11 1.10 0.00 0.02 0.00 0.00 175.30 176.33 3k75 s ALA 35 N -2.51 2.13 -0.19 2.13 0.00 -0.52 0.51 121.76 123.31 3k75 s ALA 35 Ca -0.06 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 3k75 s ALA 35 Cb -0.02 -3.28 -0.21 0.00 0.00 0.00 0.00 23.12 19.61 3k75 s ALA 35 CO -0.04 -1.90 0.29 0.00 0.00 0.00 0.00 175.76 174.11 3k75 h ALA 36 N -1.23 0.25 0.00 0.00 0.00 -1.81 -3.37 119.26 113.10 3k75 h ALA 36 Ca -0.44 -1.16 -0.12 0.00 0.00 0.00 0.00 54.91 53.19 3k75 h ALA 36 Cb 1.24 0.66 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3k75 h ALA 36 CO 0.51 0.71 -0.66 0.87 0.00 0.00 0.00 179.25 180.67 3k75 h LYS 37 N -0.87 0.00 0.00 0.00 1.79 -1.95 -3.48 116.57 112.07 3k75 h LYS 37 Ca -0.32 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.15 3k75 h LYS 37 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 3k75 h LYS 37 CO -0.15 0.50 0.00 0.00 -1.08 0.00 0.00 179.45 178.72 3k75 n ALA 38 N -2.26 0.00 -1.03 3.86 0.00 -1.26 -4.78 120.51 115.04 3k75 n ALA 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3k75 n ALA 38 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 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 -0.53 1.83 7.00 0.00 0.00 -1.26 -3.04 105.19 109.18 3k75 n GLY 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3k75 n GLY 39 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k75 n GLU 40 N 0.00 0.00 0.00 1.61 4.07 -1.26 -4.86 120.64 120.21 3k75 n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 3k75 n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 3k75 n GLU 40 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3k75 n LYS 41 N 14.00 0.00 -4.52 5.31 4.81 -1.26 -4.95 118.16 131.55 3k75 n LYS 41 Ca 0.00 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.13 3k75 n LYS 41 Cb 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 35.03 34.88 3k75 n LYS 41 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3k75 s THR 42 N -2.00 1.83 0.35 3.15 2.01 -1.26 0.17 115.64 119.89 3k75 s THR 42 Ca 0.00 -0.84 0.08 0.00 0.31 0.00 0.00 61.69 61.24 3k75 s THR 42 Cb 0.00 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 3k75 s THR 42 CO 0.00 0.51 0.19 0.27 -0.69 0.00 0.00 174.62 174.90 3k75 s ILE 43 N 0.95 3.09 -0.01 1.82 -4.36 -0.34 -4.99 121.20 117.36 3k75 s ILE 43 Ca -0.05 -1.60 -0.11 0.00 -0.26 0.00 0.00 60.65 58.63 3k75 s ILE 43 Cb -0.15 -3.03 0.01 0.00 1.25 0.00 0.00 42.46 40.54 3k75 s ILE 43 CO -0.03 -0.16 0.23 -0.55 0.24 0.00 0.00 174.94 174.66 3k75 s SER 44 N -3.90 -0.09 -0.20 4.36 0.15 -1.26 -2.15 113.70 110.61 3k75 s SER 44 Ca 0.39 -0.05 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 3k75 s SER 44 Cb -0.03 0.26 0.10 0.00 -1.71 0.00 0.00 66.02 64.64 3k75 s SER 44 CO 0.24 -0.41 0.35 0.54 1.20 0.00 0.00 173.24 175.17 3k75 s VAL 45 N -1.34 -0.56 -0.24 4.45 0.11 -0.44 -2.17 120.40 120.21 3k75 s VAL 45 Ca -0.14 0.08 -0.20 0.00 -2.93 0.00 0.00 61.98 58.79 3k75 s VAL 45 Cb -0.06 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3k75 s VAL 45 CO 0.03 -0.01 0.59 -0.69 -3.33 0.00 0.00 175.10 171.68 3k75 s VAL 46 N 2.52 5.02 -0.21 2.04 1.01 -0.83 -1.39 120.40 128.56 3k75 s VAL 46 Ca 0.05 1.06 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 3k75 s VAL 46 Cb -0.14 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3k75 s VAL 46 CO -0.13 0.07 0.01 -0.76 0.00 0.00 0.00 175.10 174.30 3k75 s LEU 47 N 2.27 3.28 0.59 3.92 1.02 0.18 -1.50 118.68 128.42 3k75 s LEU 47 Ca 0.25 -0.22 -0.08 0.00 0.02 0.00 0.00 54.13 54.11 3k75 s LEU 47 Cb -0.16 -1.84 -0.01 0.00 0.02 0.00 0.00 46.19 44.20 3k75 s LEU 47 CO 0.09 0.03 0.93 -1.58 0.02 0.00 0.00 176.35 175.84 3k75 s GLN 48 N 1.19 3.17 -0.30 1.70 2.00 0.30 -2.01 119.66 125.71 3k75 s GLN 48 Ca 0.03 0.25 -0.01 0.00 -2.00 0.00 0.00 55.36 53.63 3k75 s GLN 48 Cb -0.14 -2.22 0.19 0.00 0.80 0.00 0.00 33.01 31.63 3k75 s GLN 48 CO 0.02 -0.62 0.64 -1.17 -0.50 0.00 0.00 175.29 173.66 3k75 s LEU 49 N -5.03 -1.33 0.55 3.68 2.96 -0.97 -2.86 118.68 115.68 3k75 s LEU 49 Ca 0.53 0.73 0.33 0.00 -0.22 0.00 0.00 54.13 55.51 3k75 s LEU 49 Cb -0.11 2.08 1.49 0.00 0.50 0.00 0.00 46.19 50.15 3k75 s LEU 49 CO 0.48 -0.25 1.82 -0.33 -1.32 0.00 0.00 176.35 176.75 3k75 h GLU 50 N 7.99 0.00 -5.05 1.98 5.08 -1.94 -3.37 114.58 119.27 3k75 h GLU 50 Ca -0.19 0.00 -0.64 0.00 -1.00 0.00 0.00 59.36 57.53 3k75 h GLU 50 Cb 1.17 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.26 3k75 h GLU 50 CO 0.21 0.00 -0.32 0.21 -1.00 0.00 0.00 179.01 178.11 3k75 s LYS 51 N -4.87 3.91 0.03 2.33 2.20 -1.26 -5.07 119.74 117.01 3k75 s LYS 51 Ca -0.05 -0.14 -0.19 0.00 -0.36 0.00 0.00 55.97 55.23 3k75 s LYS 51 Cb 0.21 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.78 3k75 s LYS 51 CO 0.73 -0.30 0.56 -1.83 -0.36 0.00 0.00 175.35 174.16 3k75 s GLU 52 N 1.98 4.23 -0.02 4.03 -1.05 -1.26 -4.76 118.70 121.86 3k75 s GLU 52 Ca 0.12 0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 55.36 3k75 s GLU 52 Cb -0.16 -3.29 0.09 0.00 -0.44 0.00 0.00 34.13 30.34 3k75 s GLU 52 CO 0.11 0.52 0.79 -1.83 0.95 0.00 0.00 175.26 175.80 3k75 s GLU 53 N -0.67 0.93 0.44 -4.83 -1.05 -0.20 -4.89 118.70 108.43 3k75 s GLU 53 Ca 0.29 -0.07 -0.22 0.00 -0.15 0.00 0.00 54.97 54.82 3k75 s GLU 53 Cb -0.19 0.43 -0.09 0.00 -0.44 0.00 0.00 34.13 33.85 3k75 s GLU 53 CO 0.18 -0.35 1.04 1.14 0.95 0.00 0.00 175.26 178.21 3k75 s GLN 54 N -2.23 4.00 -0.18 -4.83 -2.07 -1.26 -3.76 119.66 109.34 3k75 s GLN 54 Ca -0.02 1.43 -0.07 0.00 -1.82 0.00 0.00 55.36 54.88 3k75 s GLN 54 Cb -0.01 -2.32 -0.04 0.00 -1.09 0.00 0.00 33.01 29.55 3k75 s GLN 54 CO -0.02 -0.27 0.04 0.42 -1.32 0.00 0.00 175.29 174.15 3k75 s ILE 55 N -1.82 4.58 -0.13 3.63 1.01 -1.26 -4.58 121.20 122.63 3k75 s ILE 55 Ca 0.62 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 3k75 s ILE 55 Cb -0.19 -3.06 -0.25 0.00 0.01 0.00 0.00 42.46 38.97 3k75 s ILE 55 CO 0.23 0.46 0.34 1.57 0.00 0.00 0.00 174.94 177.54 3k75 n HIS 56 N 3.63 1.17 -4.09 3.97 -0.00 -0.18 -4.94 115.22 114.79 3k75 n HIS 56 Ca -0.17 0.25 -0.11 0.00 -0.00 0.00 0.00 57.72 57.69 3k75 n HIS 56 Cb 0.52 -1.15 -0.07 0.00 -0.00 0.00 0.00 29.99 29.29 3k75 n HIS 56 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3k75 s SER 57 N -6.97 0.20 -0.08 0.26 1.04 -1.25 -2.93 113.70 103.97 3k75 s SER 57 Ca -0.23 -1.19 -0.04 0.00 0.48 0.00 0.00 55.95 54.97 3k75 s SER 57 Cb 0.07 0.53 0.04 0.00 0.10 0.00 0.00 66.02 66.76 3k75 s SER 57 CO 0.76 -1.07 0.19 -0.69 0.98 0.00 0.00 173.24 173.41 3k75 s VAL 58 N -3.89 -0.04 -0.12 5.02 1.01 0.11 -2.09 120.40 120.40 3k75 s VAL 58 Ca 0.30 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3k75 s VAL 58 Cb 0.02 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 3k75 s VAL 58 CO 0.12 0.06 -0.16 -1.81 0.00 0.00 0.00 175.10 173.31 3k75 s ASP 59 N 1.04 3.72 -0.11 3.32 1.01 -0.31 0.18 116.67 125.52 3k75 s ASP 59 Ca -0.08 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3k75 s ASP 59 Cb -0.09 -1.55 0.02 0.00 1.01 0.00 0.00 42.92 42.31 3k75 s ASP 59 CO -0.06 0.16 -0.09 -0.63 0.21 0.00 0.00 175.17 174.76 3k75 s ILE 60 N 0.37 1.11 -0.27 0.77 1.01 -0.52 -0.33 121.20 123.35 3k75 s ILE 60 Ca -0.13 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 3k75 s ILE 60 Cb -0.16 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 3k75 s ILE 60 CO 0.06 0.38 0.14 -0.83 0.00 0.00 0.00 174.94 174.69 3k75 s GLY 61 N 1.53 1.86 0.40 6.18 0.00 -0.21 -1.50 107.32 115.57 3k75 s GLY 61 Ca 0.02 -1.15 -0.03 0.00 0.00 0.00 0.00 44.72 43.57 3k75 s GLY 61 CO -0.07 0.61 0.66 0.21 0.00 0.00 0.00 173.10 174.51 3k75 s ASN 62 N 1.68 6.31 -0.40 1.64 2.47 -1.03 0.10 114.94 125.71 3k75 s ASN 62 Ca 0.06 0.70 0.10 0.00 0.42 0.00 0.00 52.86 54.14 3k75 s ASN 62 Cb -0.16 -2.14 0.34 0.00 -1.45 0.00 0.00 41.25 37.84 3k75 s ASN 62 CO 0.07 -0.41 0.88 -0.67 -3.72 0.00 0.00 177.10 173.26 3k75 n ASP 63 N -1.88 -0.34 0.00 -4.21 2.03 -0.40 -3.49 116.55 108.26 3k75 n ASP 63 Ca -0.02 -3.26 0.00 0.00 0.52 0.00 0.00 54.79 52.03 3k75 n ASP 63 Cb 0.55 0.33 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 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 0.30 0.48 3.73 0.27 0.00 -0.98 -2.17 105.19 106.82 3k75 n GLY 64 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.04 7.42 0.30 1.61 0.01 -1.25 -4.72 113.70 115.03 3k75 s SER 65 Ca 0.00 1.89 0.16 0.00 1.31 0.00 0.00 55.95 59.31 3k75 s SER 65 Cb 0.00 -2.59 0.25 0.00 0.21 0.00 0.00 66.02 63.88 3k75 s SER 65 CO 0.00 -0.12 1.53 0.00 0.41 0.00 0.00 173.24 175.06 3k75 h ALA 66 N 5.44 0.75 -2.62 1.44 0.00 0.30 -3.38 119.26 121.20 3k75 h ALA 66 Ca -0.43 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 53.92 3k75 h ALA 66 Cb 1.21 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 3k75 h ALA 66 CO 0.72 0.60 -0.38 -0.06 0.00 0.00 0.00 179.25 180.13 3k75 s PHE 67 N -3.14 -0.05 -0.16 0.00 0.08 -0.76 -2.66 117.98 111.30 3k75 s PHE 67 Ca 0.03 0.01 -0.05 0.00 0.12 0.00 0.00 56.93 57.04 3k75 s PHE 67 Cb 0.09 0.02 0.06 0.00 -0.57 0.00 0.00 43.02 42.61 3k75 s PHE 67 CO 0.73 -0.36 0.10 0.08 -0.10 0.00 0.00 175.22 175.66 3k75 s VAL 68 N -1.59 -0.11 -0.21 -0.44 1.01 0.14 0.13 120.40 119.34 3k75 s VAL 68 Ca -0.12 -0.11 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 3k75 s VAL 68 Cb -0.05 -0.54 -0.02 0.00 0.00 0.00 0.00 36.38 35.76 3k75 s VAL 68 CO 0.02 -0.24 0.00 -0.70 0.00 0.00 0.00 175.10 174.18 3k75 s GLU 69 N 2.15 3.58 -0.16 2.72 2.12 0.16 -2.05 118.70 127.22 3k75 s GLU 69 Ca 0.02 -0.53 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 3k75 s GLU 69 Cb -0.16 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.08 3k75 s GLU 69 CO -0.09 -0.06 0.22 0.08 -0.54 0.00 0.00 175.26 174.87 3k75 s VAL 70 N 1.18 5.36 0.03 3.70 1.01 -1.18 0.13 120.40 130.62 3k75 s VAL 70 Ca 0.03 0.38 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3k75 s VAL 70 Cb -0.14 -3.54 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 3k75 s VAL 70 CO 0.01 0.45 -0.11 -0.22 0.00 0.00 0.00 175.10 175.24 3k75 s LEU 71 N 0.11 2.14 0.09 3.92 2.96 0.36 -2.52 118.68 125.74 3k75 s LEU 71 Ca 0.14 -0.38 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 3k75 s LEU 71 Cb -0.12 -0.46 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 3k75 s LEU 71 CO 0.02 0.01 -0.11 0.54 -1.32 0.00 0.00 176.35 175.49 3k75 s VAL 72 N -0.74 0.98 0.13 1.68 0.11 -0.90 0.17 120.40 121.84 3k75 s VAL 72 Ca -0.00 -1.55 -0.26 0.00 -2.93 0.00 0.00 61.98 57.24 3k75 s VAL 72 Cb -0.07 -1.27 0.07 0.00 -1.53 0.00 0.00 36.38 33.58 3k75 s VAL 72 CO 0.01 -0.47 1.01 -0.83 -3.33 0.00 0.00 175.10 171.48 3k75 s GLY 73 N -2.26 -0.24 0.05 6.54 0.00 -0.96 0.11 107.32 110.55 3k75 s GLY 73 Ca 0.03 0.18 -0.07 0.00 0.00 0.00 0.00 44.72 44.86 3k75 s GLY 73 CO 0.01 0.07 0.32 -0.56 0.00 0.00 0.00 173.10 172.94 3k75 s SER 74 N -2.96 6.54 0.18 1.64 0.01 -1.26 -1.07 113.70 116.77 3k75 s SER 74 Ca 0.13 0.63 -0.11 0.00 1.31 0.00 0.00 55.95 57.90 3k75 s SER 74 Cb -0.01 -2.11 0.08 0.00 0.21 0.00 0.00 66.02 64.19 3k75 s SER 74 CO 0.02 0.20 1.74 -1.28 0.41 0.00 0.00 173.24 174.32 3k75 h SER 75 N 3.73 0.85 -1.53 2.44 0.87 -1.92 -3.42 113.55 114.57 3k75 h SER 75 Ca -0.49 -0.17 -0.43 0.00 -1.23 0.00 0.00 61.79 59.47 3k75 h SER 75 Cb 1.19 -0.22 0.03 0.00 -0.44 0.00 0.00 62.40 62.96 3k75 h SER 75 CO 0.67 0.78 -0.20 0.00 -0.53 0.00 0.00 176.83 177.55 3k75 s ALA 76 N -5.56 4.45 -1.09 6.23 0.00 -1.26 -4.59 121.76 119.94 3k75 s ALA 76 Ca -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.16 3k75 s ALA 76 Cb 0.13 -1.68 0.00 0.00 0.00 0.00 0.00 23.12 21.57 3k75 s ALA 76 CO 0.80 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3k75 n GLY 77 N -1.98 1.16 0.00 0.00 0.00 -1.26 -4.70 105.19 98.40 3k75 n GLY 77 Ca 0.09 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.57 3.14 0.00 -0.02 0.00 -1.26 -5.07 105.19 100.41 3k75 n GLY 78 Ca -0.10 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3k75 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k75 n ALA 79 N 0.00 2.12 -0.85 4.61 0.00 -1.26 -4.71 120.51 120.42 3k75 n ALA 79 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 53.44 52.75 3k75 n ALA 79 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.56 3k75 n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k75 n GLY 80 N -0.15 -3.26 0.16 0.00 0.00 -1.26 -4.85 105.19 95.82 3k75 n GLY 80 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 3k75 n GLY 80 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3k75 h GLU 81 N 0.00 0.48 0.00 1.61 4.81 -2.00 -2.85 114.58 116.62 3k75 h GLU 81 Ca -0.16 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3k75 h GLU 81 Cb 0.51 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3k75 h GLU 81 CO 0.10 0.83 0.00 1.04 -0.73 0.00 0.00 179.01 180.25 3k75 n GLN 82 N -4.45 0.34 -1.85 1.92 6.02 -1.26 -3.03 117.38 115.07 3k75 n GLN 82 Ca -0.05 0.08 -0.37 0.00 -0.01 0.00 0.00 57.00 56.64 3k75 n GLN 82 Cb 0.41 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.18 3k75 n GLN 82 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3k75 n ASP 83 N -1.14 7.27 -3.76 1.08 8.00 -1.08 -4.90 116.55 122.01 3k75 n ASP 83 Ca 0.09 -3.66 -0.14 0.00 0.71 0.00 0.00 54.79 51.80 3k75 n ASP 83 Cb 0.08 -1.12 -0.14 0.00 -0.02 0.00 0.00 41.12 39.92 3k75 n ASP 83 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3k75 s TYR 84 N -3.43 -0.13 -0.10 1.24 1.51 -1.17 -4.45 117.35 110.82 3k75 s TYR 84 Ca 0.53 0.41 0.01 0.00 -1.01 0.00 0.00 57.07 57.02 3k75 s TYR 84 Cb 0.41 -0.08 -0.02 0.00 -0.11 0.00 0.00 41.96 42.16 3k75 s TYR 84 CO -0.35 -0.14 -0.13 -2.00 -1.11 0.00 0.00 175.55 171.82 3k75 s GLU 85 N 0.98 3.03 0.10 -0.62 2.56 0.12 -4.87 118.70 119.99 3k75 s GLU 85 Ca -0.08 -0.67 -0.31 0.00 0.00 0.00 0.00 54.97 53.91 3k75 s GLU 85 Cb -0.10 -2.55 -0.08 0.00 2.00 0.00 0.00 34.13 33.40 3k75 s GLU 85 CO -0.05 0.40 1.52 0.08 -0.56 0.00 0.00 175.26 176.65 3k75 s VAL 86 N -0.12 3.09 -0.26 3.70 1.01 -1.26 -2.11 120.40 124.44 3k75 s VAL 86 Ca -0.01 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.50 3k75 s VAL 86 Cb -0.14 -3.44 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 3k75 s VAL 86 CO 0.03 0.03 -0.35 -0.11 0.00 0.00 0.00 175.10 174.70 3k75 n LEU 87 N 4.68 1.95 -4.27 3.92 7.94 -1.17 -4.62 117.00 125.45 3k75 n LEU 87 Ca 0.14 0.34 -0.32 0.00 -1.11 0.00 0.00 56.01 55.06 3k75 n LEU 87 Cb 0.41 -0.81 -0.16 0.00 0.53 0.00 0.00 43.42 43.39 3k75 n LEU 87 CO 0.61 0.42 -0.53 -0.22 -1.11 0.00 0.00 177.39 176.56 3k75 s LEU 88 N -7.59 2.25 0.61 -1.96 2.96 -1.05 -1.11 118.68 112.80 3k75 s LEU 88 Ca -0.37 -0.49 -0.16 0.00 -0.22 0.00 0.00 54.13 52.89 3k75 s LEU 88 Cb 0.13 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 3k75 s LEU 88 CO 0.48 0.18 1.08 0.54 -1.32 0.00 0.00 176.35 177.31 3k75 s VAL 89 N 0.24 3.55 -0.38 1.68 0.11 -1.26 -3.09 120.40 121.24 3k75 s VAL 89 Ca -0.14 0.74 -0.35 0.00 -2.93 0.00 0.00 61.98 59.31 3k75 s VAL 89 Cb -0.17 -3.27 -0.12 0.00 -1.53 0.00 0.00 36.38 31.30 3k75 s VAL 89 CO 0.07 -0.42 2.22 0.41 -3.33 0.00 0.00 175.10 174.05 3k75 n THR 90 N -2.13 0.17 -4.17 5.04 -1.04 -1.26 -4.70 114.28 106.18 3k75 n THR 90 Ca 0.10 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.05 61.59 3k75 n THR 90 Cb 0.52 -1.66 -0.06 0.00 -1.82 0.00 0.00 70.33 67.32 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 7.63 5.12 -0.11 8.00 0.01 -0.87 -4.89 113.70 128.60 3k75 s SER 91 Ca 1.10 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 58.02 3k75 s SER 91 Cb -0.84 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 64.19 3k75 s SER 91 CO 0.48 0.02 -0.17 -0.94 0.41 0.00 0.00 173.24 173.04 3k75 s SER 92 N -3.49 3.70 0.00 2.44 1.04 -1.26 0.28 113.70 116.42 3k75 s SER 92 Ca 0.31 -0.39 0.06 0.00 0.48 0.00 0.00 55.95 56.42 3k75 s SER 92 Cb -0.08 -1.42 0.16 0.00 0.10 0.00 0.00 66.02 64.78 3k75 s SER 92 CO 0.22 0.19 1.08 0.49 0.98 0.00 0.00 173.24 176.20 3k75 n PHE 93 N 3.35 0.23 0.00 5.02 3.72 -1.09 -4.99 117.46 123.71 3k75 n PHE 93 Ca -0.18 -0.43 0.00 0.00 -0.05 0.00 0.00 57.45 56.79 3k75 n PHE 93 Cb 0.53 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 3k75 n PHE 93 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3k75 n MET 94 N 0.13 0.00 -1.31 -1.08 0.00 -1.26 -4.73 117.12 108.87 3k75 n MET 94 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.46 3k75 n MET 94 Cb 0.32 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.64 3k75 n MET 94 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3k75 s SER 95 N 0.00 4.42 0.27 3.17 1.04 -1.26 -4.66 113.70 116.67 3k75 s SER 95 Ca 0.00 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.06 3k75 s SER 95 Cb 0.00 -2.41 0.48 0.00 0.10 0.00 0.00 66.02 64.18 3k75 s SER 95 CO 0.00 -2.07 1.59 -0.65 0.98 0.00 0.00 173.24 173.09 3k75 h PRO 96 N -1.15 0.03 -0.00 4.02 0.11 -1.99 0.15 132.00 133.16 3k75 h PRO 96 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3k75 h PRO 96 Cb 1.24 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k75 h PRO 96 CO 0.53 0.02 -0.06 0.43 -0.21 0.00 0.00 178.00 178.71 3k75 n SER 97 N -5.50 0.33 0.02 -2.05 7.64 -1.26 -1.29 113.62 111.51 3k75 n SER 97 Ca 0.15 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 59.27 3k75 n SER 97 Cb 0.52 -0.11 -0.14 0.00 -1.01 0.00 0.00 64.21 63.46 3k75 n SER 97 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3k75 h GLU 98 N 0.42 0.29 -0.79 1.43 5.08 -1.10 -2.91 114.58 117.00 3k75 h GLU 98 Ca 0.00 -0.49 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3k75 h GLU 98 Cb 0.30 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3k75 h GLU 98 CO 0.00 1.21 0.46 0.77 -1.00 0.00 0.00 179.01 180.45 3k75 h SER 99 N 0.08 0.96 -0.20 1.42 0.02 -0.73 0.40 113.55 115.49 3k75 h SER 99 Ca -0.39 -0.08 -0.13 0.00 -0.84 0.00 0.00 61.79 60.35 3k75 h SER 99 Cb 2.05 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 64.35 3k75 h SER 99 CO 0.11 0.76 -0.37 0.03 -1.14 0.00 0.00 176.83 176.23 3k75 h ARG 100 N 1.09 0.61 0.00 3.45 3.08 -1.34 -3.18 114.38 118.08 3k75 h ARG 100 Ca 0.28 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3k75 h ARG 100 Cb -0.01 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.08 3k75 h ARG 100 CO -0.05 0.99 0.00 0.66 -1.07 0.00 0.00 179.97 180.50 3k75 h SER 101 N 0.29 0.00 0.00 7.04 4.64 -1.36 -3.47 113.55 120.69 3k75 h SER 101 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3k75 h SER 101 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3k75 h SER 101 CO 0.08 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3k75 n GLY 102 N 1.11 1.42 3.83 -0.77 0.00 0.14 -5.01 105.19 105.91 3k75 n GLY 102 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3k75 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3k75 s SER 103 N -3.20 6.90 -0.90 1.61 1.04 -0.96 -4.25 113.70 113.94 3k75 s SER 103 Ca 0.00 1.44 -0.04 0.00 0.48 0.00 0.00 55.95 57.83 3k75 s SER 103 Cb 0.00 -2.43 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 3k75 s SER 103 CO 0.00 -0.20 0.79 0.59 0.98 0.00 0.00 173.24 175.40 3k75 n ASN 104 N -0.20 -7.03 0.01 7.02 3.02 -1.26 -4.57 115.26 112.23 3k75 n ASN 104 Ca 0.03 -0.44 0.11 0.00 -0.03 0.00 0.00 54.58 54.25 3k75 n ASN 104 Cb 0.53 -4.97 -0.07 0.00 -0.61 0.00 0.00 39.78 34.65 3k75 n ASN 104 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3k75 n PRO 105 N -2.58 0.23 -0.50 3.52 -0.04 -1.26 -4.61 135.00 129.76 3k75 n PRO 105 Ca -0.05 -0.04 0.05 0.00 -0.04 0.00 0.00 63.50 63.41 3k75 n PRO 105 Cb 0.56 -1.53 0.22 0.00 -0.04 0.00 0.00 33.50 32.71 3k75 n PRO 105 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3k75 n ASN 106 N -1.80 3.02 -4.75 3.54 5.03 -1.26 -2.31 115.26 116.73 3k75 n ASN 106 Ca 0.02 -3.33 -0.41 0.00 0.87 0.00 0.00 54.58 51.73 3k75 n ASN 106 Cb 0.41 -0.55 -0.02 0.00 -1.02 0.00 0.00 39.78 38.60 3k75 n ASN 106 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3k75 s ARG 107 N -3.00 4.33 -0.27 3.52 1.70 -1.26 -4.55 118.95 119.42 3k75 s ARG 107 Ca 0.41 2.20 -0.01 0.00 -0.47 0.00 0.00 55.73 57.86 3k75 s ARG 107 Cb 0.35 -3.12 0.05 0.00 -0.57 0.00 0.00 34.95 31.66 3k75 s ARG 107 CO 0.04 -0.30 -0.05 0.54 -1.08 0.00 0.00 175.30 174.46 3k75 s VAL 108 N -0.33 2.75 0.05 4.99 0.11 -1.26 -2.45 120.40 124.27 3k75 s VAL 108 Ca 0.55 -1.34 -0.00 0.00 -2.93 0.00 0.00 61.98 58.26 3k75 s VAL 108 Cb -0.40 -2.53 -0.04 0.00 -1.53 0.00 0.00 36.38 31.88 3k75 s VAL 108 CO 0.45 0.00 0.20 -0.13 -3.33 0.00 0.00 175.10 172.29 3k75 s ARG 109 N 1.24 3.41 0.06 1.54 0.52 -0.56 -4.91 118.95 120.24 3k75 s ARG 109 Ca -0.04 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.73 3k75 s ARG 109 Cb -0.19 -3.03 -0.04 0.00 0.52 0.00 0.00 34.95 32.21 3k75 s ARG 109 CO -0.03 0.61 0.15 1.41 0.02 0.00 0.00 175.30 177.46 3k75 s MET 110 N -2.44 3.19 -0.33 3.54 1.75 -1.26 -1.44 119.30 122.31 3k75 s MET 110 Ca 0.34 -0.53 -0.01 0.00 -1.25 0.00 0.00 55.69 54.23 3k75 s MET 110 Cb -0.13 -2.91 0.13 0.00 2.84 0.00 0.00 34.83 34.76 3k75 s MET 110 CO 0.27 0.60 0.20 -0.06 -0.65 0.00 0.00 175.02 175.38 3k75 s PHE 111 N -1.43 0.47 1.02 4.11 0.40 0.13 -4.99 117.98 117.70 3k75 s PHE 111 Ca 0.31 -1.29 -0.16 0.00 -0.60 0.00 0.00 56.93 55.20 3k75 s PHE 111 Cb -0.13 -0.85 0.21 0.00 0.51 0.00 0.00 43.02 42.76 3k75 s PHE 111 CO 0.24 -0.84 1.20 0.20 0.70 0.00 0.00 175.22 176.71 3k75 s GLY 112 N 1.45 1.65 0.42 4.36 0.00 -1.26 -0.71 107.32 113.23 3k75 s GLY 112 Ca 0.15 -0.91 0.16 0.00 0.00 0.00 0.00 44.72 44.13 3k75 s GLY 112 CO -0.12 -0.17 1.90 -0.56 0.00 0.00 0.00 173.10 174.15 3k75 h PRO 113 N -1.90 0.40 0.00 2.90 0.13 -1.93 0.32 132.00 131.92 3k75 h PRO 113 Ca -0.46 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3k75 h PRO 113 Cb 1.28 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3k75 h PRO 113 CO 0.44 0.26 -0.03 -0.44 -0.23 0.00 0.00 178.00 178.01 3k75 h ASP 114 N 0.41 0.00 0.68 1.44 5.19 -1.91 -2.07 116.42 120.16 3k75 h ASP 114 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.81 3k75 h ASP 114 Cb 0.96 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.47 3k75 h ASP 114 CO -0.14 0.03 -0.36 0.29 -3.12 0.00 0.00 179.24 175.94 3k75 n LYS 115 N -4.25 0.03 -3.55 3.56 4.76 0.11 -4.89 118.16 113.92 3k75 n LYS 115 Ca -0.03 0.01 -0.25 0.00 -2.87 0.00 0.00 58.31 55.17 3k75 n LYS 115 Cb 0.11 -1.52 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 3k75 n LYS 115 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3k75 s LEU 116 N -3.12 4.13 -1.24 -0.35 1.43 -0.78 -4.57 118.68 114.18 3k75 s LEU 116 Ca 0.11 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.43 3k75 s LEU 116 Cb 0.18 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 43.16 3k75 s LEU 116 CO 0.65 -0.18 1.85 0.52 0.23 0.00 0.00 176.35 179.43 3k75 n VAL 117 N -1.31 3.04 0.00 -1.59 0.31 -0.26 -4.81 118.33 113.72 3k75 n VAL 117 Ca -0.05 -3.11 0.00 0.00 -0.01 0.00 0.00 64.34 61.17 3k75 n VAL 117 Cb 0.55 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 31.19 3k75 n VAL 117 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3k75 n ARG 118 N 8.13 0.00 0.30 5.55 1.74 -1.26 -0.59 116.66 130.54 3k75 n ARG 118 Ca 0.48 0.22 -0.16 0.00 -0.77 0.00 0.00 57.85 57.62 3k75 n ARG 118 Cb 0.45 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 3k75 n ARG 118 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3k75 h ALA 119 N 1.90 -0.78 -0.08 7.54 0.00 -1.95 -3.19 119.26 122.69 3k75 h ALA 119 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3k75 h ALA 119 Cb 0.02 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3k75 h ALA 119 CO 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 179.25 178.41 3k75 n ALA 120 N -2.54 2.55 0.76 0.00 0.00 0.25 -3.96 120.51 117.57 3k75 n ALA 120 Ca -0.12 -0.47 0.12 0.00 0.00 0.00 0.00 53.44 52.97 3k75 n ALA 120 Cb 0.34 -1.14 0.20 0.00 0.00 0.00 0.00 19.45 18.85 3k75 n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3k75 n ALA 121 N 0.20 2.46 0.63 0.00 0.00 -0.83 -3.86 120.51 119.10 3k75 n ALA 121 Ca 0.18 -0.79 0.08 0.00 0.00 0.00 0.00 53.44 52.91 3k75 n ALA 121 Cb 0.33 -0.88 0.07 0.00 0.00 0.00 0.00 19.45 18.97 3k75 n ALA 121 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3k75 n GLU 122 N 1.26 1.18 -0.42 0.00 -0.58 -1.22 -4.71 120.64 116.16 3k75 n GLU 122 Ca 0.17 -1.44 0.00 0.00 -0.42 0.00 0.00 57.16 55.47 3k75 n GLU 122 Cb 0.57 -1.30 0.00 0.00 -0.57 0.00 0.00 31.44 30.14 3k75 n GLU 122 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3k75 n LYS 123 N 0.87 0.74 -3.96 3.49 5.02 -1.25 -5.07 118.16 118.00 3k75 n LYS 123 Ca 0.09 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 3k75 n LYS 123 Cb 0.39 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.28 3k75 n LYS 123 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3k75 s ARG 124 N -1.86 0.25 0.00 1.97 1.70 -1.26 -4.45 118.95 115.30 3k75 s ARG 124 Ca 0.00 -0.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 3k75 s ARG 124 Cb 0.00 0.09 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 3k75 s ARG 124 CO 0.00 -0.04 0.00 0.91 -1.08 0.00 0.00 175.30 175.09 3k75 n TRP 125 N 1.90 0.00 -0.08 5.89 7.02 -1.25 -4.87 117.44 126.05 3k75 n TRP 125 Ca -0.22 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.26 3k75 n TRP 125 Cb 0.56 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.45 3k75 n TRP 125 CO 0.00 0.00 0.00 -0.40 -2.02 0.00 0.00 177.69 175.27 3k75 n ASP 126 N -2.62 0.00 -4.72 -0.99 5.68 -1.16 -1.03 116.55 111.72 3k75 n ASP 126 Ca 0.00 0.00 -0.30 0.00 -0.50 0.00 0.00 54.79 53.99 3k75 n ASP 126 Cb 0.00 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 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 2.65 -0.17 0.11 0.52 -0.24 -2.28 118.95 119.54 3k75 s ARG 127 Ca 0.00 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.36 3k75 s ARG 127 Cb 0.00 -2.58 0.05 0.00 0.52 0.00 0.00 34.95 32.94 3k75 s ARG 127 CO 0.00 0.54 0.03 0.08 0.02 0.00 0.00 175.30 175.97 3k75 s VAL 128 N -1.40 0.45 -0.56 3.52 1.01 -0.85 -2.27 120.40 120.30 3k75 s VAL 128 Ca 0.27 -0.42 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3k75 s VAL 128 Cb -0.11 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3k75 s VAL 128 CO 0.20 -0.14 1.46 -0.75 0.00 0.00 0.00 175.10 175.87 3k75 s LYS 129 N 1.90 3.24 -0.21 2.72 2.20 0.44 -0.65 119.74 129.38 3k75 s LYS 129 Ca 0.00 0.49 -0.11 0.00 -0.36 0.00 0.00 55.97 56.00 3k75 s LYS 129 Cb -0.16 -4.15 -0.05 0.00 -1.51 0.00 0.00 37.83 31.96 3k75 s LYS 129 CO -0.08 -2.01 0.16 0.42 -0.36 0.00 0.00 175.35 173.49 3k75 s ILE 130 N 6.34 5.38 -0.19 5.43 1.01 -0.49 0.13 121.20 138.81 3k75 s ILE 130 Ca 0.54 0.24 0.01 0.00 0.00 0.00 0.00 60.65 61.45 3k75 s ILE 130 Cb -0.11 -3.50 0.02 0.00 0.01 0.00 0.00 42.46 38.88 3k75 s ILE 130 CO 0.25 0.41 -0.19 -0.69 0.00 0.00 0.00 174.94 174.71 3k75 s VAL 131 N 0.57 2.07 -0.09 2.92 1.01 0.12 -1.33 120.40 125.67 3k75 s VAL 131 Ca 0.09 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3k75 s VAL 131 Cb -0.12 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3k75 s VAL 131 CO 0.01 0.48 -0.09 0.00 0.00 0.00 0.00 175.10 175.50 3k75 s SER 133 N -0.38 3.43 -0.40 0.00 0.01 0.12 -1.20 113.70 115.28 3k75 s SER 133 Ca 0.05 -0.86 -0.01 0.00 1.31 0.00 0.00 55.95 56.44 3k75 s SER 133 Cb -0.12 -0.25 0.20 0.00 0.21 0.00 0.00 66.02 66.05 3k75 s SER 133 CO 0.02 0.12 0.90 -1.58 0.41 0.00 0.00 173.24 173.12 3k75 s GLN 134 N -2.65 0.54 0.00 12.44 2.00 0.13 0.94 119.66 133.06 3k75 s GLN 134 Ca 0.20 -0.40 0.25 0.00 -2.00 0.00 0.00 55.36 53.42 3k75 s GLN 134 Cb -0.08 0.01 0.78 0.00 0.80 0.00 0.00 33.01 34.52 3k75 s GLN 134 CO 0.10 -0.71 1.59 -0.35 -0.50 0.00 0.00 175.29 175.42 3k75 n PRO 135 N 3.30 1.86 -0.28 1.67 -0.04 -1.26 -4.21 135.00 136.04 3k75 n PRO 135 Ca 0.12 -1.27 0.11 0.00 -0.04 0.00 0.00 63.50 62.42 3k75 n PRO 135 Cb 0.61 -1.46 0.27 0.00 -0.04 0.00 0.00 33.50 32.87 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 0.52 0.75 -3.66 0.54 4.01 -1.26 -4.96 117.16 113.10 3k75 n TYR 136 Ca 0.17 -0.40 -0.12 0.00 -0.16 0.00 0.00 57.90 57.39 3k75 n TYR 136 Cb 0.41 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.38 3k75 n TYR 136 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 3k75 s SER 137 N -1.17 -0.26 -0.16 7.72 0.01 -1.26 -4.10 113.70 114.47 3k75 s SER 137 Ca 0.43 -0.10 -0.01 0.00 1.31 0.00 0.00 55.95 57.57 3k75 s SER 137 Cb 0.23 0.44 0.04 0.00 0.21 0.00 0.00 66.02 66.94 3k75 s SER 137 CO 0.31 -0.72 -0.02 -1.59 0.41 0.00 0.00 173.24 171.63 3k75 s LYS 138 N -2.87 1.08 0.00 12.44 -2.85 -1.26 -4.78 119.74 121.49 3k75 s LYS 138 Ca -0.03 -0.39 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 3k75 s LYS 138 Cb 0.00 -1.86 0.00 0.00 -2.06 0.00 0.00 37.83 33.91 3k75 s LYS 138 CO -0.05 -0.47 0.00 -0.25 0.10 0.00 0.00 175.35 174.68 3k75 n ASP 139 N 4.97 0.00 -2.60 0.03 9.92 -1.17 -4.97 116.55 122.72 3k75 n ASP 139 Ca -0.10 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.11 3k75 n ASP 139 Cb 0.48 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.92 3k75 n ASP 139 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 3k75 n SER 140 N 0.00 -2.18 -0.87 -2.24 2.88 -1.26 -4.76 113.62 105.19 3k75 n SER 140 Ca 0.00 1.34 0.00 0.00 -1.33 0.00 0.00 58.87 58.88 3k75 n SER 140 Cb 0.00 -5.21 0.00 0.00 -0.75 0.00 0.00 64.21 58.25 3k75 n SER 140 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3k75 n PRO 141 N 1.43 0.57 -0.35 -1.46 -0.02 -1.26 -4.94 135.00 128.98 3k75 n PRO 141 Ca -0.32 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 3k75 n PRO 141 Cb 0.49 -1.23 0.00 0.00 -0.02 0.00 0.00 33.50 32.74 3k75 n PRO 141 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 3k75 n PHE 142 N 0.58 0.00 0.00 6.00 1.16 -1.26 -1.44 117.46 122.50 3k75 n PHE 142 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 3k75 n PHE 142 Cb 0.25 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.12 3k75 n PHE 142 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 3k75 n GLY 143 N -1.45 0.24 3.05 4.97 0.00 -0.92 -2.73 105.19 108.35 3k75 n GLY 143 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 46.02 44.70 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 2.15 0.03 0.99 1.43 -0.81 -1.27 118.68 121.20 3k75 s LEU 144 Ca 0.00 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 52.56 3k75 s LEU 144 Cb 0.00 -0.33 -0.25 0.00 0.03 0.00 0.00 46.19 45.64 3k75 s LEU 144 CO 0.00 -0.04 1.12 0.28 0.23 0.00 0.00 176.35 177.93 3k75 h SER 145 N 5.14 0.72 -5.33 2.29 0.02 -0.37 -2.27 113.55 113.74 3k75 h SER 145 Ca -0.34 -0.77 0.12 0.00 -0.84 0.00 0.00 61.79 59.96 3k75 h SER 145 Cb 1.19 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.48 3k75 h SER 145 CO 0.45 1.41 0.52 0.72 -1.14 0.00 0.00 176.83 178.78 3k75 s PHE 146 N -3.16 0.08 -0.02 3.45 -0.12 -0.92 -4.42 117.98 112.86 3k75 s PHE 146 Ca -0.11 -0.53 -0.20 0.00 -0.05 0.00 0.00 56.93 56.03 3k75 s PHE 146 Cb 0.05 0.73 0.04 0.00 -0.63 0.00 0.00 43.02 43.21 3k75 s PHE 146 CO 0.88 -1.06 0.44 0.54 -0.05 0.00 0.00 175.22 175.97 3k75 s VAL 147 N -2.22 0.04 -0.11 -2.49 0.11 -1.26 -1.05 120.40 113.41 3k75 s VAL 147 Ca 0.20 -0.32 -0.10 0.00 -2.93 0.00 0.00 61.98 58.83 3k75 s VAL 147 Cb -0.03 -0.78 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 3k75 s VAL 147 CO 0.06 -0.18 0.29 -0.13 -3.33 0.00 0.00 175.10 171.82 3k75 s ARG 148 N -1.43 0.33 0.05 1.54 0.52 0.56 -5.00 118.95 115.52 3k75 s ARG 148 Ca -0.12 0.43 0.09 0.00 -0.52 0.00 0.00 55.73 55.61 3k75 s ARG 148 Cb -0.03 0.14 -0.03 0.00 0.52 0.00 0.00 34.95 35.55 3k75 s ARG 148 CO 0.05 -0.05 -0.25 -0.06 0.02 0.00 0.00 175.30 175.01 3k75 s PHE 149 N 0.29 2.37 0.40 -0.53 0.08 -1.26 -1.16 117.98 118.17 3k75 s PHE 149 Ca -0.01 -0.38 0.04 0.00 0.12 0.00 0.00 56.93 56.70 3k75 s PHE 149 Cb -0.03 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 3k75 s PHE 149 CO -0.01 0.16 0.06 -1.01 -0.10 0.00 0.00 175.22 174.32 3k75 s HIS 150 N -0.84 1.99 0.41 0.36 3.76 -0.89 -0.33 115.29 119.76 3k75 s HIS 150 Ca 0.12 -1.00 0.03 0.00 -0.15 0.00 0.00 55.06 54.07 3k75 s HIS 150 Cb -0.10 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 3k75 s HIS 150 CO 0.03 0.05 0.08 -1.54 -0.85 0.00 0.00 174.74 172.50 3k75 s SER 151 N -3.65 3.03 0.00 1.40 1.04 -1.04 -1.01 113.70 113.48 3k75 s SER 151 Ca 0.26 -1.57 0.14 0.00 0.48 0.00 0.00 55.95 55.26 3k75 s SER 151 Cb 0.06 0.30 0.85 0.00 0.10 0.00 0.00 66.02 67.32 3k75 s SER 151 CO 0.13 -0.80 1.27 -2.65 0.98 0.00 0.00 173.24 172.16