#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h n GLY 2 N 0.00 -0.98 3.60 3.03 0.00 -1.26 -5.09 105.19 104.48 2k5h n GLY 2 Ca 0.00 -1.65 -0.07 0.00 0.00 0.00 0.00 46.02 44.30 2k5h n GLY 2 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k5h s SER 3 N -3.15 -0.31 -0.25 1.61 0.15 -1.26 -5.14 113.70 105.34 2k5h s SER 3 Ca 0.00 -0.16 -0.04 0.00 0.70 0.00 0.00 55.95 56.45 2k5h s SER 3 Cb 0.00 0.45 0.09 0.00 -1.71 0.00 0.00 66.02 64.85 2k5h s SER 3 CO 0.00 -0.77 0.14 -0.55 1.20 0.00 0.00 173.24 173.26 2k5h s SER 4 N -2.68 2.87 -1.13 5.45 0.15 -1.26 -5.07 113.70 112.02 2k5h s SER 4 Ca 0.07 -0.98 -0.13 0.00 0.70 0.00 0.00 55.95 55.61 2k5h s SER 4 Cb -0.01 -0.17 0.19 0.00 -1.71 0.00 0.00 66.02 64.31 2k5h s SER 4 CO -0.05 -0.40 1.29 -1.00 1.20 0.00 0.00 173.24 174.28 2k5h s HIS 5 N 2.16 3.63 -0.20 3.44 0.09 -1.26 -4.99 115.29 118.15 2k5h s HIS 5 Ca 0.07 -2.15 -0.08 0.00 -0.00 0.00 0.00 55.06 52.91 2k5h s HIS 5 Cb -0.16 -4.19 -0.04 0.00 -0.00 0.00 0.00 32.58 28.20 2k5h s HIS 5 CO -0.27 -1.30 0.07 -1.58 -0.00 0.00 0.00 174.74 171.66 2k5h s HIS 6 N 1.06 3.21 0.00 1.40 5.65 -1.26 -5.07 115.29 120.28 2k5h s HIS 6 Ca 0.38 -0.02 0.00 0.00 0.25 0.00 0.00 55.06 55.67 2k5h s HIS 6 Cb -0.05 -2.13 0.00 0.00 -1.18 0.00 0.00 32.58 29.22 2k5h s HIS 6 CO -0.03 0.03 0.00 -2.39 -0.65 0.00 0.00 174.74 171.70 2k5h n HIS 7 N 3.91 0.00 -2.04 3.88 -0.00 -1.26 -5.06 115.22 114.65 2k5h n HIS 7 Ca -0.16 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.53 2k5h n HIS 7 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2k5h n HIS 7 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5h n HIS 8 N 0.00 -1.37 -3.68 -1.40 -0.00 -1.26 -5.10 115.22 102.41 2k5h n HIS 8 Ca 0.00 0.55 -0.10 0.00 -0.00 0.00 0.00 57.72 58.17 2k5h n HIS 8 Cb 0.00 -2.53 -0.10 0.00 -0.00 0.00 0.00 29.99 27.36 2k5h n HIS 8 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5h s HIS 9 N -1.74 -0.66 -0.45 1.57 4.02 -1.26 -5.12 115.29 111.65 2k5h s HIS 9 Ca 0.09 1.36 0.02 0.00 1.02 0.00 0.00 55.06 57.55 2k5h s HIS 9 Cb -0.03 0.27 0.14 0.00 -1.02 0.00 0.00 32.58 31.94 2k5h s HIS 9 CO 0.30 -0.39 0.25 -1.58 1.02 0.00 0.00 174.74 174.35 2k5h s HIS 10 N 1.82 2.10 -0.98 1.40 5.65 -1.26 -4.86 115.29 119.16 2k5h s HIS 10 Ca -0.07 -2.51 -0.06 0.00 0.25 0.00 0.00 55.06 52.68 2k5h s HIS 10 Cb -0.10 -1.95 -0.05 0.00 -1.18 0.00 0.00 32.58 29.30 2k5h s HIS 10 CO -0.13 -0.77 0.85 0.45 -0.65 0.00 0.00 174.74 174.50 2k5h n SER 11 N 3.43 -6.80 -4.56 9.88 2.88 -1.26 -4.91 113.62 112.29 2k5h n SER 11 Ca 0.10 -0.59 -0.42 0.00 -1.33 0.00 0.00 58.87 56.62 2k5h n SER 11 Cb 0.35 -5.04 -0.03 0.00 -0.75 0.00 0.00 64.21 58.74 2k5h n SER 11 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2k5h s SER 12 N -3.30 6.38 -0.23 -3.46 0.01 -1.26 -4.99 113.70 106.85 2k5h s SER 12 Ca 0.35 -0.12 0.02 0.00 1.31 0.00 0.00 55.95 57.51 2k5h s SER 12 Cb -0.05 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.72 2k5h s SER 12 CO 0.75 -1.43 -0.10 -0.83 0.41 0.00 0.00 173.24 172.04 2k5h s GLY 13 N 3.01 1.45 0.25 3.44 0.00 -1.26 -5.12 107.32 109.09 2k5h s GLY 13 Ca 0.38 -1.49 0.09 0.00 0.00 0.00 0.00 44.72 43.69 2k5h s GLY 13 CO 0.22 0.68 0.02 0.50 0.00 0.00 0.00 173.10 174.53 2k5h s ARG 14 N 1.26 2.39 2.29 2.90 1.81 -1.26 -5.04 118.95 123.30 2k5h s ARG 14 Ca -0.05 -1.31 0.00 0.00 -1.72 0.00 0.00 55.73 52.64 2k5h s ARG 14 Cb -0.18 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.07 2k5h s ARG 14 CO -0.07 0.39 0.00 0.39 -0.68 0.00 0.00 175.30 175.33 2k5h n GLU 15 N -0.78 0.00 -3.91 3.54 1.02 -1.26 -4.56 120.64 114.68 2k5h n GLU 15 Ca -0.07 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.76 2k5h n GLU 15 Cb 0.58 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.86 2k5h n GLU 15 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 2k5h s ASN 16 N -4.00 4.40 0.74 1.62 3.84 -1.26 -5.11 114.94 115.17 2k5h s ASN 16 Ca 0.00 -2.28 -0.01 0.00 0.21 0.00 0.00 52.86 50.78 2k5h s ASN 16 Cb 0.00 -1.41 0.14 0.00 -0.55 0.00 0.00 41.25 39.44 2k5h s ASN 16 CO 0.00 -0.34 0.98 0.18 -2.79 0.00 0.00 177.10 175.13 2k5h n LEU 17 N 4.06 0.00 -4.43 3.21 4.77 -1.26 -4.97 117.00 118.38 2k5h n LEU 17 Ca 0.04 -1.99 -0.43 0.00 -0.03 0.00 0.00 56.01 53.60 2k5h n LEU 17 Cb 0.39 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2k5h n LEU 17 CO 0.23 -1.00 1.98 0.00 -1.33 0.00 0.00 177.39 177.26 2k5h n TYR 18 N -2.86 4.52 -0.25 -1.77 4.19 -1.26 -4.45 117.16 115.28 2k5h n TYR 18 Ca 0.16 -2.94 0.06 0.00 3.31 0.00 0.00 57.90 58.49 2k5h n TYR 18 Cb 0.57 -2.53 0.18 0.00 0.49 0.00 0.00 39.34 38.04 2k5h n TYR 18 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 2k5h n PHE 19 N 7.50 0.56 -2.53 2.98 7.35 -1.26 -5.01 117.46 127.05 2k5h n PHE 19 Ca 0.47 -0.52 -0.22 0.00 -0.76 0.00 0.00 57.45 56.42 2k5h n PHE 19 Cb 0.44 -0.04 0.04 0.00 0.35 0.00 0.00 39.48 40.27 2k5h n PHE 19 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2k5h s GLN 20 N -1.11 2.46 1.08 -4.13 -1.52 -1.26 -5.09 119.66 110.08 2k5h s GLN 20 Ca 0.27 -0.65 -0.15 0.00 -1.95 0.00 0.00 55.36 52.89 2k5h s GLN 20 Cb 0.15 -2.41 0.23 0.00 -0.22 0.00 0.00 33.01 30.76 2k5h s GLN 20 CO 0.17 -0.84 1.10 0.20 -0.25 0.00 0.00 175.29 175.67 2k5h s GLY 21 N -4.45 1.57 -0.02 3.09 0.00 -1.26 -5.00 107.32 101.25 2k5h s GLY 21 Ca 0.58 -0.61 -0.24 0.00 0.00 0.00 0.00 44.72 44.45 2k5h s GLY 21 CO 0.40 0.11 0.73 0.30 0.00 0.00 0.00 173.10 174.64 2k5h s HIS 22 N -3.00 3.65 -0.07 1.90 3.76 -1.26 -5.06 115.29 115.21 2k5h s HIS 22 Ca 0.68 1.35 -0.06 0.00 -0.15 0.00 0.00 55.06 56.87 2k5h s HIS 22 Cb -0.15 -2.81 -0.04 0.00 1.11 0.00 0.00 32.58 30.68 2k5h s HIS 22 CO 0.57 0.17 0.18 -1.64 -0.85 0.00 0.00 174.74 173.17 2k5h s MET 23 N 0.44 3.48 0.25 1.40 -1.94 -1.26 -4.94 119.30 116.72 2k5h s MET 23 Ca 0.38 -0.15 0.00 0.00 -1.71 0.00 0.00 55.69 54.21 2k5h s MET 23 Cb -0.19 -3.15 0.00 0.00 2.01 0.00 0.00 34.83 33.50 2k5h s MET 23 CO 0.20 0.73 0.00 0.00 -0.01 0.00 0.00 175.02 175.94 2k5h n ALA 24 N 1.58 -2.06 0.26 3.03 0.00 -1.26 -4.78 120.51 117.28 2k5h n ALA 24 Ca -0.16 0.25 0.06 0.00 0.00 0.00 0.00 53.44 53.58 2k5h n ALA 24 Cb 0.54 -0.99 0.21 0.00 0.00 0.00 0.00 19.45 19.21 2k5h n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k5h n ALA 25 N -0.55 2.87 -2.97 0.00 0.00 -1.26 -4.84 120.51 113.76 2k5h n ALA 25 Ca 0.00 -0.93 -0.11 0.00 0.00 0.00 0.00 53.44 52.40 2k5h n ALA 25 Cb 0.00 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.31 2k5h n ALA 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2k5h s ARG 26 N -1.72 0.21 -1.56 0.00 1.70 -1.26 -5.06 118.95 111.26 2k5h s ARG 26 Ca 0.30 -0.26 -0.11 0.00 -0.47 0.00 0.00 55.73 55.19 2k5h s ARG 26 Cb 0.20 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 2k5h s ARG 26 CO 0.15 -0.04 2.69 0.44 -1.08 0.00 0.00 175.30 177.46 2k5h n ILE 27 N 2.28 4.04 -1.10 4.99 -5.35 -1.26 -4.39 119.36 118.57 2k5h n ILE 27 Ca -0.18 -2.78 -0.03 0.00 -0.27 0.00 0.00 62.75 59.49 2k5h n ILE 27 Cb 0.57 -2.60 -0.01 0.00 -1.74 0.00 0.00 39.64 35.85 2k5h n ILE 27 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2k5h n THR 28 N 4.07 0.00 -2.04 7.28 -1.04 -1.26 -4.82 114.28 116.47 2k5h n THR 28 Ca 0.69 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.70 2k5h n THR 28 Cb 0.29 -0.91 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2k5h n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k5h n GLY 29 N -0.38 -1.78 3.95 3.41 0.00 -1.26 -5.15 105.19 103.97 2k5h n GLY 29 Ca -0.03 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 2k5h n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k5h s GLU 30 N -1.63 3.45 0.00 1.61 -1.05 -1.26 -4.77 118.70 115.05 2k5h s GLU 30 Ca 0.00 -0.60 0.10 0.00 -0.15 0.00 0.00 54.97 54.32 2k5h s GLU 30 Cb 0.00 -2.90 0.54 0.00 -0.44 0.00 0.00 34.13 31.33 2k5h s GLU 30 CO 0.00 0.45 1.19 -2.30 0.95 0.00 0.00 175.26 175.55 2k5h n PRO 31 N -0.97 0.18 -0.62 -4.83 -0.02 -1.26 -4.99 135.00 122.49 2k5h n PRO 31 Ca -0.07 0.16 0.08 0.00 -2.02 0.00 0.00 63.50 61.64 2k5h n PRO 31 Cb 0.55 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.50 2k5h n PRO 31 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k5h n SER 32 N -1.24 -3.62 -4.67 2.55 7.64 -1.26 -4.83 113.62 108.19 2k5h n SER 32 Ca 0.05 0.51 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 2k5h n SER 32 Cb 0.07 -2.06 -0.02 0.00 -1.01 0.00 0.00 64.21 61.19 2k5h n SER 32 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k5h s LYS 33 N -2.88 4.34 -0.64 1.43 3.01 -1.26 -4.99 119.74 118.75 2k5h s LYS 33 Ca 0.00 1.36 -0.00 0.00 -1.01 0.00 0.00 55.97 56.32 2k5h s LYS 33 Cb 0.00 -3.59 0.16 0.00 -1.01 0.00 0.00 37.83 33.39 2k5h s LYS 33 CO 0.00 -0.46 0.44 0.21 0.51 0.00 0.00 175.35 176.05 2k5h s LYS 34 N 2.57 2.50 -0.50 1.68 2.47 -1.26 -4.94 119.74 122.26 2k5h s LYS 34 Ca 0.46 -2.72 0.03 0.00 -1.56 0.00 0.00 55.97 52.18 2k5h s LYS 34 Cb -0.17 -3.63 0.59 0.00 -1.46 0.00 0.00 37.83 33.16 2k5h s LYS 34 CO 0.12 -1.18 1.92 0.00 0.16 0.00 0.00 175.35 176.37 2k5h n ALA 35 N 3.12 5.75 -2.63 3.13 0.00 -1.26 -4.94 120.51 123.68 2k5h n ALA 35 Ca 0.10 -3.10 -0.39 0.00 0.00 0.00 0.00 53.44 50.05 2k5h n ALA 35 Cb 0.36 -1.49 -0.05 0.00 0.00 0.00 0.00 19.45 18.26 2k5h n ALA 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k5h s VAL 36 N -3.76 5.03 -0.70 0.00 0.11 -1.26 -4.95 120.40 114.87 2k5h s VAL 36 Ca 0.59 1.24 0.20 0.00 -2.93 0.00 0.00 61.98 61.08 2k5h s VAL 36 Cb 0.48 -3.94 -0.25 0.00 -1.53 0.00 0.00 36.38 31.14 2k5h s VAL 36 CO 0.07 0.33 0.75 -1.20 -3.33 0.00 0.00 175.10 171.72 2k5h n SER 37 N 3.35 0.75 -0.92 3.54 7.64 -1.26 -4.97 113.62 121.75 2k5h n SER 37 Ca -0.05 -0.71 -0.12 0.00 1.01 0.00 0.00 58.87 59.01 2k5h n SER 37 Cb 0.51 1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 64.93 2k5h n SER 37 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2k5h n ASP 38 N -1.69 -5.40 -0.27 6.43 9.92 -1.26 -4.80 116.55 119.49 2k5h n ASP 38 Ca 0.02 0.29 0.13 0.00 -0.53 0.00 0.00 54.79 54.69 2k5h n ASP 38 Cb 0.38 -4.09 0.31 0.00 -0.64 0.00 0.00 41.12 37.08 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2k5h n ARG 39 N -0.96 0.84 0.16 -1.24 5.12 -1.26 -3.58 116.66 115.75 2k5h n ARG 39 Ca -0.12 -0.54 0.11 0.00 -1.93 0.00 0.00 57.85 55.37 2k5h n ARG 39 Cb 0.58 -1.49 0.08 0.00 -1.16 0.00 0.00 32.46 30.47 2k5h n ARG 39 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 2k5h h LEU 40 N 1.31 0.00 -9.42 0.55 3.38 -1.97 -3.46 115.31 105.70 2k5h h LEU 40 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2k5h h LEU 40 Cb 0.54 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.32 2k5h h LEU 40 CO 0.00 0.06 1.15 -0.63 0.09 0.00 0.00 178.44 179.11 2k5h s ILE 41 N -3.24 2.86 0.00 1.22 -1.09 -1.23 -1.79 121.20 117.92 2k5h s ILE 41 Ca 0.04 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.58 2k5h s ILE 41 Cb 0.07 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 2k5h s ILE 41 CO 0.73 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 2k5h n GLY 42 N 4.33 1.93 3.99 6.18 0.00 0.45 -5.02 105.19 117.04 2k5h n GLY 42 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2k5h n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 43 N -0.97 2.41 0.23 1.61 0.52 -0.74 -4.83 118.95 117.18 2k5h s ARG 43 Ca 0.00 -1.64 -0.14 0.00 -0.52 0.00 0.00 55.73 53.44 2k5h s ARG 43 Cb 0.00 -2.54 -0.08 0.00 0.52 0.00 0.00 34.95 32.86 2k5h s ARG 43 CO 0.00 -0.65 0.62 0.21 0.02 0.00 0.00 175.30 175.50 2k5h s LYS 44 N -4.49 3.96 0.11 3.54 2.20 -1.26 -1.81 119.74 121.98 2k5h s LYS 44 Ca 0.54 0.51 0.04 0.00 -0.36 0.00 0.00 55.97 56.71 2k5h s LYS 44 Cb -0.06 -2.69 -0.04 0.00 -1.51 0.00 0.00 37.83 33.54 2k5h s LYS 44 CO 0.34 0.32 -0.11 0.20 -0.36 0.00 0.00 175.35 175.74 2k5h s GLY 45 N -2.08 0.93 -0.03 5.54 0.00 0.82 -4.89 107.32 107.60 2k5h s GLY 45 Ca 0.46 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.95 2k5h s GLY 45 CO 0.20 -1.33 -0.08 0.54 0.00 0.00 0.00 173.10 172.42 2k5h s VAL 46 N -2.51 3.54 -0.43 1.40 0.11 -1.20 0.70 120.40 122.01 2k5h s VAL 46 Ca 0.08 -0.68 -0.23 0.00 -2.93 0.00 0.00 61.98 58.22 2k5h s VAL 46 Cb -0.02 -2.48 0.02 0.00 -1.53 0.00 0.00 36.38 32.36 2k5h s VAL 46 CO 0.01 0.49 0.77 -0.69 -3.33 0.00 0.00 175.10 172.34 2k5h s VAL 47 N -0.89 4.69 -0.11 2.04 1.01 0.78 -1.17 120.40 126.75 2k5h s VAL 47 Ca 0.14 0.48 0.14 0.00 0.00 0.00 0.00 61.98 62.74 2k5h s VAL 47 Cb -0.11 -4.28 -0.24 0.00 0.00 0.00 0.00 36.38 31.75 2k5h s VAL 47 CO 0.04 -0.64 0.41 0.23 0.00 0.00 0.00 175.10 175.14 2k5h n MET 48 N 6.60 0.66 -4.86 2.72 2.81 0.71 -0.77 117.12 124.99 2k5h n MET 48 Ca 0.02 0.18 -0.26 0.00 -1.81 0.00 0.00 57.70 55.83 2k5h n MET 48 Cb 0.48 -1.68 -0.16 0.00 -0.71 0.00 0.00 33.22 31.15 2k5h n MET 48 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2k5h s GLU 49 N -2.55 1.64 -0.07 0.03 2.56 -0.51 -4.80 118.70 114.99 2k5h s GLU 49 Ca -0.08 -0.63 -0.31 0.00 0.00 0.00 0.00 54.97 53.94 2k5h s GLU 49 Cb 0.07 -1.50 -0.09 0.00 2.00 0.00 0.00 34.13 34.61 2k5h s GLU 49 CO 0.82 0.32 2.01 0.00 -0.56 0.00 0.00 175.26 177.86 2k5h n ALA 50 N 2.88 1.40 -2.59 6.30 0.00 -1.26 -2.44 120.51 124.79 2k5h n ALA 50 Ca -0.16 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 2k5h n ALA 50 Cb 0.53 -2.67 -0.03 0.00 0.00 0.00 0.00 19.45 17.28 2k5h n ALA 50 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2k5h s ILE 51 N 5.31 4.03 0.18 0.00 1.01 -0.24 -4.20 121.20 127.28 2k5h s ILE 51 Ca 0.94 0.69 0.06 0.00 0.00 0.00 0.00 60.65 62.35 2k5h s ILE 51 Cb -0.51 -4.73 -0.04 0.00 0.01 0.00 0.00 42.46 37.19 2k5h s ILE 51 CO 0.44 -1.40 0.07 -0.94 0.00 0.00 0.00 174.94 173.11 2k5h s SER 52 N 3.09 5.13 0.63 3.58 1.04 -0.47 0.20 113.70 126.89 2k5h s SER 52 Ca 0.39 -0.28 0.38 0.00 0.48 0.00 0.00 55.95 56.92 2k5h s SER 52 Cb -0.09 -1.22 2.12 0.00 0.10 0.00 0.00 66.02 66.94 2k5h s SER 52 CO 0.22 0.07 2.31 -0.65 0.98 0.00 0.00 173.24 176.17 2k5h h PRO 53 N 2.49 0.00 0.00 4.02 0.11 -1.91 -2.51 132.00 134.20 2k5h h PRO 53 Ca -0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 2k5h h PRO 53 Cb 1.20 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.27 2k5h h PRO 53 CO 0.61 0.01 -1.88 1.04 -0.21 0.00 0.00 178.00 177.57 2k5h n GLN 54 N -3.41 0.65 -3.73 1.05 6.02 -1.26 -4.93 117.38 111.76 2k5h n GLN 54 Ca -0.03 0.13 -0.12 0.00 -0.01 0.00 0.00 57.00 56.97 2k5h n GLN 54 Cb 0.09 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.54 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2k5h s ASN 55 N -5.66 -0.28 0.71 1.08 3.84 -0.95 -5.15 114.94 108.54 2k5h s ASN 55 Ca -0.06 0.55 -0.15 0.00 0.21 0.00 0.00 52.86 53.40 2k5h s ASN 55 Cb 0.08 0.45 0.03 0.00 -0.55 0.00 0.00 41.25 41.26 2k5h s ASN 55 CO 0.83 -0.16 1.20 -0.44 -2.79 0.00 0.00 177.10 175.75 2k5h s SER 56 N 1.11 4.34 0.57 -4.21 0.01 -1.26 -1.37 113.70 112.89 2k5h s SER 56 Ca -0.08 2.34 0.06 0.00 1.31 0.00 0.00 55.95 59.59 2k5h s SER 56 Cb -0.09 -2.59 0.06 0.00 0.21 0.00 0.00 66.02 63.61 2k5h s SER 56 CO -0.08 -2.17 0.51 0.61 0.41 0.00 0.00 173.24 172.53 2k5h n GLY 57 N 0.36 2.56 3.25 3.44 0.00 -0.85 -4.71 105.19 109.23 2k5h n GLY 57 Ca 0.13 -2.29 -0.33 0.00 0.00 0.00 0.00 46.02 43.54 2k5h n GLY 57 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5h s LEU 58 N 0.00 2.37 0.02 0.99 1.43 -1.02 -0.63 118.68 121.84 2k5h s LEU 58 Ca 0.39 -0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.08 2k5h s LEU 58 Cb -0.03 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2k5h s LEU 58 CO 0.25 0.10 -0.26 0.68 0.23 0.00 0.00 176.35 177.35 2k5h s VAL 59 N 0.72 2.08 -0.34 -1.59 -7.23 0.41 -0.21 120.40 114.25 2k5h s VAL 59 Ca -0.08 -1.28 -0.12 0.00 -1.81 0.00 0.00 61.98 58.69 2k5h s VAL 59 Cb -0.16 -1.76 -0.01 0.00 0.56 0.00 0.00 36.38 35.02 2k5h s VAL 59 CO 0.01 0.43 0.21 -0.75 -0.31 0.00 0.00 175.10 174.69 2k5h s LYS 60 N -1.02 3.33 0.01 4.82 2.20 -0.32 0.13 119.74 128.91 2k5h s LYS 60 Ca 0.11 -0.74 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 2k5h s LYS 60 Cb -0.10 -3.73 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 2k5h s LYS 60 CO 0.01 -0.48 -0.10 0.08 -0.36 0.00 0.00 175.35 174.49 2k5h s VAL 61 N 1.66 0.81 0.00 4.02 1.01 -0.71 -3.25 120.40 123.95 2k5h s VAL 61 Ca 0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.37 2k5h s VAL 61 Cb -0.18 -0.72 0.00 0.00 0.00 0.00 0.00 36.38 35.49 2k5h s VAL 61 CO 0.09 0.07 0.00 -0.67 0.00 0.00 0.00 175.10 174.58 2k5h n ASP 62 N 2.39 0.00 0.00 3.32 2.03 -1.26 -1.54 116.55 121.49 2k5h n ASP 62 Ca -0.16 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.15 2k5h n ASP 62 Cb 0.56 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.96 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k5h n GLY 63 N 0.00 0.10 3.69 0.27 0.00 -1.26 -5.13 105.19 102.86 2k5h n GLY 63 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2k5h n GLY 63 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 64 N 0.00 2.24 -0.34 1.61 0.41 -0.59 -5.10 118.70 116.93 2k5h s GLU 64 Ca 0.00 -1.64 -0.06 0.00 -0.41 0.00 0.00 54.97 52.86 2k5h s GLU 64 Cb 0.00 -2.07 0.04 0.00 -1.78 0.00 0.00 34.13 30.33 2k5h s GLU 64 CO 0.00 0.12 0.10 0.99 -0.49 0.00 0.00 175.26 175.98 2k5h s THR 65 N -2.47 3.72 0.18 3.63 2.01 -1.26 -1.73 115.64 119.72 2k5h s THR 65 Ca 0.36 -1.17 0.05 0.00 0.31 0.00 0.00 61.69 61.24 2k5h s THR 65 Cb -0.01 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 2k5h s THR 65 CO 0.21 -0.19 0.19 0.26 -0.69 0.00 0.00 174.62 174.40 2k5h s TRP 66 N 1.39 3.23 0.07 4.92 0.52 0.12 -4.88 118.94 124.31 2k5h s TRP 66 Ca -0.02 -0.00 -0.25 0.00 0.02 0.00 0.00 56.10 55.85 2k5h s TRP 66 Cb -0.20 -1.53 -0.06 0.00 -1.15 0.00 0.00 33.47 30.53 2k5h s TRP 66 CO 0.02 0.51 0.76 1.03 0.02 0.00 0.00 176.95 179.29 2k5h s ARG 67 N -3.28 4.50 0.01 4.98 3.00 -1.26 -0.44 118.95 126.45 2k5h s ARG 67 Ca 0.32 1.06 0.05 0.00 0.00 0.00 0.00 55.73 57.17 2k5h s ARG 67 Cb -0.10 -3.34 -0.02 0.00 0.00 0.00 0.00 34.95 31.50 2k5h s ARG 67 CO 0.25 0.36 -0.17 0.00 0.00 0.00 0.00 175.30 175.74 2k5h s ALA 68 N -0.33 1.41 0.05 2.13 0.00 0.20 0.14 121.76 125.36 2k5h s ALA 68 Ca 0.37 -0.80 0.05 0.00 0.00 0.00 0.00 51.96 51.58 2k5h s ALA 68 Cb -0.21 -0.32 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 2k5h s ALA 68 CO 0.23 0.33 -0.13 0.95 0.00 0.00 0.00 175.76 177.14 2k5h s THR 69 N -0.56 1.03 0.32 0.00 -4.23 -0.24 -2.01 115.64 109.96 2k5h s THR 69 Ca 0.06 -1.14 -0.09 0.00 -1.18 0.00 0.00 61.69 59.34 2k5h s THR 69 Cb -0.07 -0.98 0.01 0.00 1.34 0.00 0.00 72.50 72.80 2k5h s THR 69 CO 0.00 -0.15 0.56 -0.94 -0.54 0.00 0.00 174.62 173.56 2k5h s SER 70 N -1.45 0.38 -0.26 3.99 1.04 -1.26 -2.36 113.70 113.78 2k5h s SER 70 Ca -0.01 -1.22 0.08 0.00 0.48 0.00 0.00 55.95 55.27 2k5h s SER 70 Cb -0.09 0.69 0.60 0.00 0.10 0.00 0.00 66.02 67.32 2k5h s SER 70 CO 0.02 -1.35 1.58 0.61 0.98 0.00 0.00 173.24 175.08 2k5h n GLY 71 N -0.50 3.21 3.57 7.32 0.00 -1.26 -4.89 105.19 112.63 2k5h n GLY 71 Ca -0.02 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.11 2k5h n GLY 71 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k5h s THR 72 N -2.48 0.00 -0.20 2.61 2.01 -1.26 -5.08 115.64 111.24 2k5h s THR 72 Ca 0.44 -1.44 -0.14 0.00 0.31 0.00 0.00 61.69 60.86 2k5h s THR 72 Cb 0.35 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.47 2k5h s THR 72 CO 0.11 0.00 0.31 0.54 -0.69 0.00 0.00 174.62 174.89 2k5h s VAL 73 N -3.73 5.26 -0.08 3.82 0.11 -1.26 -4.43 120.40 120.09 2k5h s VAL 73 Ca 0.24 0.54 0.03 0.00 -2.93 0.00 0.00 61.98 59.86 2k5h s VAL 73 Cb -0.01 -3.65 -0.01 0.00 -1.53 0.00 0.00 36.38 31.18 2k5h s VAL 73 CO 0.11 0.30 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.24 2k5h s LEU 74 N 1.06 2.39 0.00 2.54 1.43 0.13 -5.01 118.68 121.23 2k5h s LEU 74 Ca 0.15 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.80 2k5h s LEU 74 Cb -0.14 -1.48 0.16 0.00 0.03 0.00 0.00 46.19 44.76 2k5h s LEU 74 CO 0.06 0.23 1.06 -0.67 0.23 0.00 0.00 176.35 177.26 2k5h n ASP 75 N 3.08 0.88 -4.76 2.29 -0.08 -1.26 -1.08 116.55 115.62 2k5h n ASP 75 Ca -0.18 -1.87 -0.40 0.00 -1.51 0.00 0.00 54.79 50.83 2k5h n ASP 75 Cb 0.52 -0.74 -0.06 0.00 2.34 0.00 0.00 41.12 43.19 2k5h n ASP 75 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2k5h s VAL 76 N -3.22 4.39 0.00 5.18 1.01 -1.26 -3.49 120.40 123.00 2k5h s VAL 76 Ca 0.66 1.79 0.00 0.00 0.00 0.00 0.00 61.98 64.44 2k5h s VAL 76 Cb -0.03 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2k5h s VAL 76 CO 0.45 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.63 2k5h n GLY 77 N 1.77 0.74 3.92 4.51 0.00 0.05 -5.05 105.19 111.13 2k5h n GLY 77 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 2k5h n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k5h s GLU 78 N -0.55 1.43 0.02 1.61 0.41 -1.23 -4.83 118.70 115.56 2k5h s GLU 78 Ca 0.00 -0.19 0.04 0.00 -0.41 0.00 0.00 54.97 54.40 2k5h s GLU 78 Cb 0.00 -1.95 -0.02 0.00 -1.78 0.00 0.00 34.13 30.39 2k5h s GLU 78 CO 0.00 -1.89 -0.11 -1.21 -0.49 0.00 0.00 175.26 171.55 2k5h s GLU 79 N -5.66 0.83 0.26 1.61 2.02 -1.26 -0.16 118.70 116.34 2k5h s GLU 79 Ca 0.67 -0.56 0.03 0.00 0.02 0.00 0.00 54.97 55.13 2k5h s GLU 79 Cb -0.08 -0.80 -0.05 0.00 0.10 0.00 0.00 34.13 33.30 2k5h s GLU 79 CO 0.50 0.20 0.03 0.14 0.02 0.00 0.00 175.26 176.15 2k5h s VAL 80 N -0.61 1.00 -0.18 2.63 -7.23 0.22 0.20 120.40 116.43 2k5h s VAL 80 Ca 0.01 -2.02 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2k5h s VAL 80 Cb -0.06 -2.49 -0.02 0.00 0.56 0.00 0.00 36.38 34.36 2k5h s VAL 80 CO 0.00 -0.20 -0.04 -0.44 -0.31 0.00 0.00 175.10 174.11 2k5h s SER 81 N -3.35 4.58 -0.40 4.85 0.01 0.72 -0.13 113.70 119.98 2k5h s SER 81 Ca 0.32 -0.24 -0.29 0.00 1.31 0.00 0.00 55.95 57.05 2k5h s SER 81 Cb 0.07 -1.76 0.02 0.00 0.21 0.00 0.00 66.02 64.56 2k5h s SER 81 CO 0.11 0.10 1.12 -0.69 0.41 0.00 0.00 173.24 174.29 2k5h s VAL 82 N 0.79 4.33 -0.23 3.43 1.01 -0.75 -2.31 120.40 126.67 2k5h s VAL 82 Ca -0.01 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.30 2k5h s VAL 82 Cb -0.15 -4.50 -0.17 0.00 0.00 0.00 0.00 36.38 31.56 2k5h s VAL 82 CO 0.02 -0.75 -0.05 0.29 0.00 0.00 0.00 175.10 174.60 2k5h n LYS 83 N 7.40 0.62 -3.98 2.72 4.76 -0.55 -0.41 118.16 128.71 2k5h n LYS 83 Ca 0.12 0.33 -0.10 0.00 -2.87 0.00 0.00 58.31 55.79 2k5h n LYS 83 Cb 0.48 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2k5h n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k5h s ALA 84 N -2.48 -0.12 -0.09 7.82 0.00 -0.92 -4.77 121.76 121.20 2k5h s ALA 84 Ca -0.33 -0.99 0.04 0.00 0.00 0.00 0.00 51.96 50.68 2k5h s ALA 84 Cb 0.10 1.01 -0.01 0.00 0.00 0.00 0.00 23.12 24.22 2k5h s ALA 84 CO 0.59 -0.87 -0.20 0.42 0.00 0.00 0.00 175.76 175.69 2k5h s ILE 85 N -3.44 2.44 -0.26 0.00 -1.09 -1.26 0.01 121.20 117.59 2k5h s ILE 85 Ca 0.23 -0.91 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 2k5h s ILE 85 Cb -0.02 -1.95 0.08 0.00 -1.58 0.00 0.00 42.46 39.00 2k5h s ILE 85 CO 0.12 0.56 0.06 -0.70 -1.23 0.00 0.00 174.94 173.75 2k5h s GLU 86 N 0.07 0.77 7.86 2.79 2.56 0.03 -4.89 118.70 127.89 2k5h s GLU 86 Ca -0.09 -0.82 0.00 0.00 0.00 0.00 0.00 54.97 54.07 2k5h s GLU 86 Cb -0.15 -2.07 0.00 0.00 2.00 0.00 0.00 34.13 33.91 2k5h s GLU 86 CO 0.06 -0.83 0.00 0.41 -0.56 0.00 0.00 175.26 174.34 2k5h n GLY 87 N 4.91 3.08 0.81 -1.50 0.00 -1.26 -1.90 105.19 109.33 2k5h n GLY 87 Ca -0.06 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.83 2k5h n GLY 87 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k5h n VAL 88 N 0.00 1.06 -4.26 1.61 0.24 -1.26 -4.98 118.33 110.74 2k5h n VAL 88 Ca 0.00 -1.03 -0.29 0.00 -2.04 0.00 0.00 64.34 60.98 2k5h n VAL 88 Cb 0.00 0.47 -0.10 0.00 -1.47 0.00 0.00 33.84 32.74 2k5h n VAL 88 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2k5h s LYS 89 N -1.08 2.06 0.13 7.34 1.02 -0.80 -4.47 119.74 123.94 2k5h s LYS 89 Ca 0.29 -1.13 -0.17 0.00 0.02 0.00 0.00 55.97 54.99 2k5h s LYS 89 Cb 0.16 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 35.17 2k5h s LYS 89 CO 0.19 0.48 0.57 -0.51 -0.92 0.00 0.00 175.35 175.16 2k5h s LEU 90 N -2.43 4.41 -0.52 3.17 1.43 0.12 -0.79 118.68 124.06 2k5h s LEU 90 Ca 0.22 1.17 -0.17 0.00 -1.03 0.00 0.00 54.13 54.32 2k5h s LEU 90 Cb -0.10 -3.16 0.09 0.00 0.03 0.00 0.00 46.19 43.05 2k5h s LEU 90 CO 0.14 0.16 0.55 -0.69 0.23 0.00 0.00 176.35 176.73 2k5h s VAL 91 N -1.34 5.04 0.33 -1.59 1.01 0.10 -1.08 120.40 122.87 2k5h s VAL 91 Ca 0.35 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.40 2k5h s VAL 91 Cb -0.17 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.85 2k5h s VAL 91 CO 0.19 -0.83 -0.07 0.68 0.00 0.00 0.00 175.10 175.07 2k5h s VAL 92 N 2.12 1.98 0.01 2.92 -7.23 -0.99 -1.48 120.40 117.72 2k5h s VAL 92 Ca 0.08 -2.16 -0.02 0.00 -1.81 0.00 0.00 61.98 58.08 2k5h s VAL 92 Cb -0.24 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.08 2k5h s VAL 92 CO 0.07 -0.22 0.02 -1.83 -0.31 0.00 0.00 175.10 172.83 2k5h s GLU 93 N -3.67 0.25 0.36 4.82 -1.05 -0.98 -4.45 118.70 113.99 2k5h s GLU 93 Ca 0.32 -0.37 -0.27 0.00 -0.15 0.00 0.00 54.97 54.50 2k5h s GLU 93 Cb 0.04 0.10 -0.09 0.00 -0.44 0.00 0.00 34.13 33.73 2k5h s GLU 93 CO 0.15 -0.05 1.26 0.21 0.95 0.00 0.00 175.26 177.78 2k5h s LYS 94 N -0.97 4.19 1.00 -4.83 2.20 -1.26 -0.20 119.74 119.86 2k5h s LYS 94 Ca -0.11 2.08 -0.11 0.00 -0.36 0.00 0.00 55.97 57.47 2k5h s LYS 94 Cb -0.07 -2.90 0.19 0.00 -1.51 0.00 0.00 37.83 33.55 2k5h s LYS 94 CO -0.00 -0.28 1.10 -1.17 -0.36 0.00 0.00 175.35 174.64 2k5h s LEU 95 N -2.11 2.10 -0.08 5.43 2.96 0.13 -4.71 118.68 122.40 2k5h s LEU 95 Ca 0.53 1.90 -0.32 0.00 -0.22 0.00 0.00 54.13 56.02 2k5h s LEU 95 Cb -0.37 -4.12 -0.10 0.00 0.50 0.00 0.00 46.19 42.11 2k5h s LEU 95 CO 0.47 -3.43 2.00 -0.62 -1.32 0.00 0.00 176.35 173.46 2k5h n GLU 96 N -4.43 2.32 -1.97 1.98 1.02 -1.26 -4.86 120.64 113.44 2k5h n GLU 96 Ca 0.08 0.81 -0.39 0.00 -0.02 0.00 0.00 57.16 57.64 2k5h n GLU 96 Cb 0.53 -2.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.05 2k5h n GLU 96 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k5h s GLU 97 N 4.77 2.74 -0.14 3.49 2.02 -1.26 -4.88 118.70 125.44 2k5h s GLU 97 Ca 0.94 0.90 -0.30 0.00 0.02 0.00 0.00 54.97 56.54 2k5h s GLU 97 Cb -0.55 -4.36 -0.08 0.00 0.10 0.00 0.00 34.13 29.24 2k5h s GLU 97 CO 0.45 -2.59 2.11 1.04 0.02 0.00 0.00 175.26 176.30 2k5h n GLN 98 N 8.98 2.19 -2.70 1.61 1.13 -1.26 -4.90 117.38 122.43 2k5h n GLN 98 Ca 0.23 0.70 -0.43 0.00 -1.94 0.00 0.00 57.00 55.57 2k5h n GLN 98 Cb 0.51 -3.04 -0.03 0.00 0.11 0.00 0.00 30.24 27.79 2k5h n GLN 98 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2k5h s LYS 99 N 5.53 3.44 0.09 -1.09 2.20 -1.26 -4.99 119.74 123.67 2k5h s LYS 99 Ca 0.97 0.04 0.01 0.00 -0.36 0.00 0.00 55.97 56.63 2k5h s LYS 99 Cb -0.45 -4.02 -0.00 0.00 -1.51 0.00 0.00 37.83 31.85 2k5h s LYS 99 CO 0.40 -1.57 0.03 0.41 -0.36 0.00 0.00 175.35 174.27 2k5h n GLY 100 N 5.07 3.91 0.00 5.54 0.00 -1.26 -5.33 105.19 113.12 2k5h n GLY 100 Ca 0.06 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76