#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5h s GLY 2 N 0.00 2.81 0.05 -5.12 0.00 -1.26 -5.01 107.32 98.78 2k5h s GLY 2 Ca 0.00 -3.56 -0.31 0.00 0.00 0.00 0.00 44.72 40.86 2k5h s GLY 2 CO 0.00 1.62 1.47 -0.45 0.00 0.00 0.00 173.10 175.74 2k5h s SER 3 N 2.08 6.78 -0.38 1.64 0.15 -1.26 -4.96 113.70 117.75 2k5h s SER 3 Ca 0.34 2.26 -0.28 0.00 0.70 0.00 0.00 55.95 58.98 2k5h s SER 3 Cb -0.07 -2.57 0.02 0.00 -1.71 0.00 0.00 66.02 61.69 2k5h s SER 3 CO -0.05 -0.75 1.03 -0.94 1.20 0.00 0.00 173.24 173.73 2k5h s SER 4 N 1.83 6.75 -0.45 5.45 1.04 -1.26 -4.99 113.70 122.07 2k5h s SER 4 Ca 0.67 0.70 -0.03 0.00 0.48 0.00 0.00 55.95 57.77 2k5h s SER 4 Cb -0.35 -2.51 0.12 0.00 0.10 0.00 0.00 66.02 63.38 2k5h s SER 4 CO 0.29 -0.97 0.25 -2.28 0.98 0.00 0.00 173.24 171.51 2k5h s HIS 5 N 3.79 3.55 -0.09 5.02 5.04 -1.26 -5.07 115.29 126.26 2k5h s HIS 5 Ca 0.43 -2.49 -0.00 0.00 -1.54 0.00 0.00 55.06 51.46 2k5h s HIS 5 Cb -0.11 -3.21 -0.03 0.00 0.04 0.00 0.00 32.58 29.27 2k5h s HIS 5 CO 0.21 -0.95 -0.07 -1.58 -2.34 0.00 0.00 174.74 170.01 2k5h s HIS 6 N 0.90 2.94 0.02 3.88 2.46 -1.26 -5.12 115.29 119.11 2k5h s HIS 6 Ca 0.10 -0.13 -0.00 0.00 0.47 0.00 0.00 55.06 55.50 2k5h s HIS 6 Cb -0.22 -1.78 -0.02 0.00 -0.13 0.00 0.00 32.58 30.43 2k5h s HIS 6 CO -0.04 0.19 -0.03 -3.38 -2.47 0.00 0.00 174.74 169.00 2k5h s HIS 7 N -0.41 0.29 -0.34 3.88 -0.00 -1.26 -5.12 115.29 112.33 2k5h s HIS 7 Ca 0.06 -0.58 -0.03 0.00 -0.00 0.00 0.00 55.06 54.51 2k5h s HIS 7 Cb -0.12 -0.21 0.06 0.00 -0.00 0.00 0.00 32.58 32.31 2k5h s HIS 7 CO 0.02 -0.21 0.07 -1.58 -0.00 0.00 0.00 174.74 173.05 2k5h s HIS 8 N -1.70 3.35 -0.01 0.38 5.65 -1.26 -5.07 115.29 116.62 2k5h s HIS 8 Ca -0.14 -1.92 0.00 0.00 0.25 0.00 0.00 55.06 53.26 2k5h s HIS 8 Cb -0.08 -2.43 0.01 0.00 -1.18 0.00 0.00 32.58 28.90 2k5h s HIS 8 CO -0.02 -0.83 -0.00 -1.58 -0.65 0.00 0.00 174.74 171.66 2k5h s HIS 9 N 1.25 0.15 -0.13 3.88 5.65 -1.26 -5.15 115.29 119.69 2k5h s HIS 9 Ca -0.01 0.02 -0.06 0.00 0.25 0.00 0.00 55.06 55.26 2k5h s HIS 9 Cb -0.20 -0.20 -0.04 0.00 -1.18 0.00 0.00 32.58 30.95 2k5h s HIS 9 CO -0.01 -0.05 0.08 -3.38 -0.65 0.00 0.00 174.74 170.72 2k5h s HIS 10 N 0.49 3.36 -0.43 3.88 0.00 -1.26 -5.06 115.29 116.26 2k5h s HIS 10 Ca -0.04 0.28 -0.02 0.00 -3.00 0.00 0.00 55.06 52.28 2k5h s HIS 10 Cb -0.07 -1.95 0.12 0.00 -4.00 0.00 0.00 32.58 26.68 2k5h s HIS 10 CO -0.01 0.46 0.22 -1.54 -1.00 0.00 0.00 174.74 172.86 2k5h s SER 11 N -0.48 5.17 0.06 7.38 1.04 -1.26 -5.08 113.70 120.54 2k5h s SER 11 Ca 0.10 -2.19 0.05 0.00 0.48 0.00 0.00 55.95 54.40 2k5h s SER 11 Cb -0.12 -1.81 -0.03 0.00 0.10 0.00 0.00 66.02 64.17 2k5h s SER 11 CO 0.02 -0.49 -0.14 -0.94 0.98 0.00 0.00 173.24 172.66 2k5h s SER 12 N 1.51 1.71 0.00 7.02 1.04 -1.26 -5.12 113.70 118.60 2k5h s SER 12 Ca 0.10 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2k5h s SER 12 Cb -0.22 -0.08 0.00 0.00 0.10 0.00 0.00 66.02 65.82 2k5h s SER 12 CO -0.04 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.76 2k5h n GLY 13 N 1.52 4.29 3.09 7.32 0.00 -1.26 -5.16 105.19 114.98 2k5h n GLY 13 Ca -0.20 -0.91 -0.14 0.00 0.00 0.00 0.00 46.02 44.77 2k5h n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k5h s ARG 14 N -3.21 0.59 -0.20 1.61 0.52 -1.26 -5.14 118.95 111.87 2k5h s ARG 14 Ca 0.00 -0.83 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 2k5h s ARG 14 Cb 0.00 -0.37 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 2k5h s ARG 14 CO 0.00 0.07 0.03 -1.83 0.02 0.00 0.00 175.30 173.59 2k5h s GLU 15 N -1.75 3.75 -0.01 3.54 1.03 -1.26 -5.10 118.70 118.90 2k5h s GLU 15 Ca -0.07 -0.45 -0.02 0.00 0.03 0.00 0.00 54.97 54.45 2k5h s GLU 15 Cb -0.09 -3.17 -0.04 0.00 -0.80 0.00 0.00 34.13 30.03 2k5h s GLU 15 CO 0.00 0.07 0.15 -0.80 -1.33 0.00 0.00 175.26 173.36 2k5h s ASN 16 N 0.88 6.18 0.12 0.83 0.02 -1.26 -5.10 114.94 116.60 2k5h s ASN 16 Ca 0.02 0.29 -0.10 0.00 -1.02 0.00 0.00 52.86 52.05 2k5h s ASN 16 Cb -0.14 -1.90 0.00 0.00 0.02 0.00 0.00 41.25 39.24 2k5h s ASN 16 CO 0.02 0.26 0.26 -1.48 0.02 0.00 0.00 177.10 176.18 2k5h s LEU 17 N -1.91 1.10 0.03 0.60 0.05 -1.26 -5.17 118.68 112.12 2k5h s LEU 17 Ca 0.26 -0.64 0.01 0.00 0.05 0.00 0.00 54.13 53.81 2k5h s LEU 17 Cb -0.12 1.24 -0.02 0.00 -2.05 0.00 0.00 46.19 45.24 2k5h s LEU 17 CO 0.18 -0.80 -0.05 -0.72 -0.55 0.00 0.00 176.35 174.41 2k5h s TYR 18 N -3.88 0.41 -0.06 3.48 1.13 -1.26 -5.10 117.35 112.07 2k5h s TYR 18 Ca 0.08 -0.51 -0.02 0.00 -1.41 0.00 0.00 57.07 55.20 2k5h s TYR 18 Cb 0.04 -0.26 -0.01 0.00 -1.10 0.00 0.00 41.96 40.63 2k5h s TYR 18 CO -0.08 -0.15 -0.04 0.74 -2.51 0.00 0.00 175.55 173.51 2k5h h PHE 19 N 4.61 0.00 -5.07 -3.49 0.04 -2.07 -3.50 116.94 107.46 2k5h h PHE 19 Ca -0.33 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.44 2k5h h PHE 19 Cb 1.21 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 2k5h h PHE 19 CO 0.65 0.00 -1.23 0.94 -0.60 0.00 0.00 178.31 178.07 2k5h n GLN 20 N -3.37 -3.94 -4.20 1.51 -0.06 -1.26 -5.05 117.38 101.01 2k5h n GLN 20 Ca -0.02 3.06 -0.24 0.00 -2.00 0.00 0.00 57.00 57.81 2k5h n GLN 20 Cb 0.06 -5.27 -0.07 0.00 -4.06 0.00 0.00 30.24 20.89 2k5h n GLN 20 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 2k5h s GLY 21 N -1.26 2.04 0.22 1.69 0.00 -1.26 -5.05 107.32 103.69 2k5h s GLY 21 Ca -0.11 -1.91 0.00 0.00 0.00 0.00 0.00 44.72 42.69 2k5h s GLY 21 CO 0.79 -1.83 0.00 1.57 0.00 0.00 0.00 173.10 173.63 2k5h n HIS 22 N -1.08 -1.64 -2.44 1.90 -0.00 -1.26 -4.46 115.22 106.23 2k5h n HIS 22 Ca -0.03 0.86 -0.39 0.00 -0.00 0.00 0.00 57.72 58.16 2k5h n HIS 22 Cb 0.62 -1.49 -0.02 0.00 -0.00 0.00 0.00 29.99 29.10 2k5h n HIS 22 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 2k5h s MET 23 N -2.61 3.54 -0.14 1.57 -2.45 -1.26 -4.87 119.30 113.08 2k5h s MET 23 Ca 0.00 -1.58 -0.10 0.00 -1.25 0.00 0.00 55.69 52.76 2k5h s MET 23 Cb 0.00 -5.42 0.05 0.00 1.25 0.00 0.00 34.83 30.71 2k5h s MET 23 CO 0.00 -2.67 0.36 0.00 1.05 0.00 0.00 175.02 173.77 2k5h s ALA 24 N 6.07 -0.90 0.00 4.11 0.00 -1.26 -5.13 121.76 124.65 2k5h s ALA 24 Ca 0.56 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.75 2k5h s ALA 24 Cb 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.40 2k5h s ALA 24 CO 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.60 2k5h n ALA 25 N 3.70 0.00 -2.40 0.00 0.00 -1.26 -4.92 120.51 115.64 2k5h n ALA 25 Ca -0.20 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2k5h n ALA 25 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 2k5h n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2k5h n ARG 26 N -0.95 -3.52 -0.77 0.00 0.00 -1.26 -5.03 116.66 105.12 2k5h n ARG 26 Ca 0.00 2.78 -0.16 0.00 -0.00 0.00 0.00 57.85 60.47 2k5h n ARG 26 Cb 0.00 -4.34 0.12 0.00 0.00 0.00 0.00 32.46 28.24 2k5h n ARG 26 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2k5h n ILE 27 N 1.19 0.00 -4.48 5.15 -5.35 -1.26 -4.90 119.36 109.71 2k5h n ILE 27 Ca -0.27 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 61.83 2k5h n ILE 27 Cb 0.42 -1.42 0.00 0.00 -1.74 0.00 0.00 39.64 36.90 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 -3.37 0.00 -1.19 7.28 -1.04 -1.26 -4.89 114.28 109.82 2k5h n THR 28 Ca 0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.78 2k5h n THR 28 Cb 0.31 0.00 0.11 0.00 -1.82 0.00 0.00 70.33 68.92 2k5h n THR 28 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2k5h s GLY 29 N -2.91 1.79 0.68 3.41 0.00 -1.26 -5.02 107.32 104.01 2k5h s GLY 29 Ca 0.00 0.43 -0.11 0.00 0.00 0.00 0.00 44.72 45.05 2k5h s GLY 29 CO 0.00 0.81 1.06 -0.54 0.00 0.00 0.00 173.10 174.42 2k5h s GLU 30 N -4.66 3.05 -0.02 2.90 2.02 -1.26 -4.98 118.70 115.75 2k5h s GLU 30 Ca 0.64 0.88 -0.30 0.00 0.02 0.00 0.00 54.97 56.22 2k5h s GLU 30 Cb -0.20 -2.01 -0.08 0.00 0.10 0.00 0.00 34.13 31.94 2k5h s GLU 30 CO 0.54 -1.00 1.99 -2.14 0.02 0.00 0.00 175.26 174.67 2k5h s PRO 31 N -5.09 3.95 0.21 0.39 0.02 -1.26 -4.98 135.00 128.25 2k5h s PRO 31 Ca 0.57 2.46 0.06 0.00 0.02 0.00 0.00 61.00 64.12 2k5h s PRO 31 Cb -0.13 -4.19 -0.04 0.00 0.02 0.00 0.00 34.50 30.16 2k5h s PRO 31 CO 0.55 -1.17 0.19 -1.12 -0.33 0.00 0.00 177.00 175.12 2k5h s SER 32 N 5.07 5.60 0.48 2.53 0.01 -1.26 -5.13 113.70 121.00 2k5h s SER 32 Ca 0.89 -0.17 -0.00 0.00 1.31 0.00 0.00 55.95 57.98 2k5h s SER 32 Cb -0.40 -1.46 0.04 0.00 0.21 0.00 0.00 66.02 64.41 2k5h s SER 32 CO 0.39 0.00 0.29 2.29 0.41 0.00 0.00 173.24 176.62 2k5h n LYS 33 N -0.86 0.41 -2.38 12.44 2.85 -1.26 -4.98 118.16 124.38 2k5h n LYS 33 Ca -0.08 -0.78 -0.38 0.00 -1.05 0.00 0.00 58.31 56.01 2k5h n LYS 33 Cb 0.56 -0.19 -0.03 0.00 -0.65 0.00 0.00 35.03 34.72 2k5h n LYS 33 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2k5h s LYS 34 N -3.16 3.11 -0.21 -1.58 1.02 -1.26 -4.96 119.74 112.69 2k5h s LYS 34 Ca 0.19 -0.36 -0.29 0.00 0.02 0.00 0.00 55.97 55.53 2k5h s LYS 34 Cb -0.01 -4.72 0.00 0.00 -0.52 0.00 0.00 37.83 32.58 2k5h s LYS 34 CO 0.13 -2.47 1.06 0.00 -0.92 0.00 0.00 175.35 173.15 2k5h s ALA 35 N 6.82 3.65 -0.12 5.17 0.00 -1.26 -4.95 121.76 131.07 2k5h s ALA 35 Ca 0.50 0.24 -0.31 0.00 0.00 0.00 0.00 51.96 52.39 2k5h s ALA 35 Cb -0.06 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2k5h s ALA 35 CO 0.06 -1.01 2.06 0.28 0.00 0.00 0.00 175.76 177.15 2k5h n VAL 36 N 5.23 0.52 -3.07 0.00 0.31 -1.26 -4.96 118.33 115.10 2k5h n VAL 36 Ca 0.12 -0.25 -0.18 0.00 -0.01 0.00 0.00 64.34 64.02 2k5h n VAL 36 Cb 0.46 -2.22 0.02 0.00 -0.91 0.00 0.00 33.84 31.19 2k5h n VAL 36 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k5h s SER 37 N 6.00 5.49 -0.01 4.52 0.01 -1.26 -4.99 113.70 123.46 2k5h s SER 37 Ca 0.96 -0.54 0.01 0.00 1.31 0.00 0.00 55.95 57.69 2k5h s SER 37 Cb -0.51 -0.45 0.04 0.00 0.21 0.00 0.00 66.02 65.31 2k5h s SER 37 CO 0.43 -0.87 0.65 -0.90 0.41 0.00 0.00 173.24 172.96 2k5h n ASP 38 N -1.90 1.08 0.28 2.44 5.75 -1.26 -3.87 116.55 119.06 2k5h n ASP 38 Ca 0.09 -2.04 0.17 0.00 -0.01 0.00 0.00 54.79 53.00 2k5h n ASP 38 Cb 0.60 -0.42 0.72 0.00 -1.03 0.00 0.00 41.12 40.99 2k5h n ASP 38 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 2k5h h ARG 39 N 0.22 0.00 0.00 0.11 2.47 -1.99 -1.82 114.38 113.37 2k5h h ARG 39 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k5h h ARG 39 Cb 0.49 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 2k5h h ARG 39 CO 0.02 0.02 -0.47 1.28 0.56 0.00 0.00 179.97 181.38 2k5h n LEU 40 N -3.14 0.51 -4.70 3.04 4.77 -1.25 -4.84 117.00 111.39 2k5h n LEU 40 Ca 0.00 0.14 -0.41 0.00 -0.03 0.00 0.00 56.01 55.71 2k5h n LEU 40 Cb 0.29 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2k5h n LEU 40 CO 0.27 0.05 0.62 -0.63 -1.33 0.00 0.00 177.39 176.37 2k5h s ILE 41 N -3.06 4.90 0.00 -0.08 -1.09 -0.69 -3.36 121.20 117.82 2k5h s ILE 41 Ca 0.10 1.86 0.00 0.00 -2.23 0.00 0.00 60.65 60.38 2k5h s ILE 41 Cb 0.16 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 2k5h s ILE 41 CO 0.68 0.14 0.00 0.61 -1.23 0.00 0.00 174.94 175.14 2k5h n GLY 42 N 3.05 0.76 3.81 6.18 0.00 -1.00 -5.06 105.19 112.93 2k5h n GLY 42 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.58 2.48 0.11 1.61 0.52 -1.21 -4.93 118.95 116.94 2k5h s ARG 43 Ca 0.00 -1.53 -0.14 0.00 -0.52 0.00 0.00 55.73 53.54 2k5h s ARG 43 Cb 0.00 -2.28 -0.07 0.00 0.52 0.00 0.00 34.95 33.12 2k5h s ARG 43 CO 0.00 -0.03 0.51 0.21 0.02 0.00 0.00 175.30 176.00 2k5h s LYS 44 N -3.99 3.96 0.35 3.54 2.20 -1.26 -2.06 119.74 122.48 2k5h s LYS 44 Ca 0.43 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.52 2k5h s LYS 44 Cb -0.02 -3.01 -0.05 0.00 -1.51 0.00 0.00 37.83 33.24 2k5h s LYS 44 CO 0.25 0.53 0.08 0.20 -0.36 0.00 0.00 175.35 176.06 2k5h s GLY 45 N -1.59 2.24 0.02 5.54 0.00 0.21 -4.95 107.32 108.79 2k5h s GLY 45 Ca 0.34 -1.74 0.07 0.00 0.00 0.00 0.00 44.72 43.40 2k5h s GLY 45 CO 0.18 -1.81 -0.21 0.54 0.00 0.00 0.00 173.10 171.80 2k5h s VAL 46 N -3.30 1.68 -0.43 1.40 0.11 -1.26 -0.22 120.40 118.38 2k5h s VAL 46 Ca 0.32 -1.08 -0.24 0.00 -2.93 0.00 0.00 61.98 58.05 2k5h s VAL 46 Cb 0.07 -1.43 0.02 0.00 -1.53 0.00 0.00 36.38 33.50 2k5h s VAL 46 CO 0.15 0.31 0.82 -0.69 -3.33 0.00 0.00 175.10 172.36 2k5h s VAL 47 N -0.68 4.63 -0.12 2.04 1.01 -0.57 -2.76 120.40 123.95 2k5h s VAL 47 Ca 0.08 0.63 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 2k5h s VAL 47 Cb -0.09 -4.32 -0.25 0.00 0.00 0.00 0.00 36.38 31.73 2k5h s VAL 47 CO 0.01 -0.68 0.35 0.23 0.00 0.00 0.00 175.10 175.02 2k5h n MET 48 N 6.76 0.72 -5.22 2.72 2.81 0.58 -0.15 117.12 125.34 2k5h n MET 48 Ca 0.03 0.25 -0.31 0.00 -1.81 0.00 0.00 57.70 55.86 2k5h n MET 48 Cb 0.48 -1.70 -0.17 0.00 -0.71 0.00 0.00 33.22 31.13 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 -2.56 2.69 0.14 0.03 2.12 -0.89 -4.84 118.70 115.39 2k5h s GLU 49 Ca -0.20 -0.87 -0.35 0.00 0.36 0.00 0.00 54.97 53.91 2k5h s GLU 49 Cb 0.07 -2.17 -0.15 0.00 0.26 0.00 0.00 34.13 32.14 2k5h s GLU 49 CO 0.76 0.29 1.48 0.00 -0.54 0.00 0.00 175.26 177.26 2k5h n ALA 50 N 3.19 0.59 -2.71 6.30 0.00 -1.26 -2.51 120.51 124.11 2k5h n ALA 50 Ca -0.18 0.47 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 2k5h n ALA 50 Cb 0.52 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.61 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 0.69 3.93 0.17 0.00 1.01 0.12 -3.95 121.20 123.18 2k5h s ILE 51 Ca 0.80 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 61.08 2k5h s ILE 51 Cb -0.76 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 2k5h s ILE 51 CO 0.42 0.57 0.02 -0.94 0.00 0.00 0.00 174.94 175.02 2k5h s SER 52 N -0.54 1.00 0.03 3.58 1.04 0.01 0.36 113.70 119.18 2k5h s SER 52 Ca 0.08 -1.20 0.10 0.00 0.48 0.00 0.00 55.95 55.41 2k5h s SER 52 Cb -0.12 0.16 0.45 0.00 0.10 0.00 0.00 66.02 66.61 2k5h s SER 52 CO 0.02 -0.62 1.33 -2.65 0.98 0.00 0.00 173.24 172.29 2k5h n PRO 53 N -0.23 0.02 -0.11 4.02 -0.02 -1.23 -3.43 135.00 134.01 2k5h n PRO 53 Ca -0.06 0.36 -0.23 0.00 -2.02 0.00 0.00 63.50 61.55 2k5h n PRO 53 Cb 0.64 -1.54 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 2k5h n PRO 53 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2k5h n GLN 54 N -1.57 0.50 -5.08 -0.52 0.00 -1.26 -4.98 117.38 104.46 2k5h n GLN 54 Ca 0.02 0.22 -0.29 0.00 -0.00 0.00 0.00 57.00 56.95 2k5h n GLN 54 Cb 0.11 -1.34 -0.16 0.00 0.00 0.00 0.00 30.24 28.84 2k5h n GLN 54 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2k5h s ASN 55 N -7.00 2.67 0.65 1.69 3.84 -1.22 -5.13 114.94 110.44 2k5h s ASN 55 Ca -0.32 -0.44 -0.13 0.00 0.21 0.00 0.00 52.86 52.17 2k5h s ASN 55 Cb 0.12 -0.70 -0.01 0.00 -0.55 0.00 0.00 41.25 40.10 2k5h s ASN 55 CO 0.41 0.21 1.06 -0.44 -2.79 0.00 0.00 177.10 175.56 2k5h s SER 56 N -0.11 5.49 0.00 -4.21 0.01 -1.26 -0.81 113.70 112.81 2k5h s SER 56 Ca -0.03 1.74 0.00 0.00 1.31 0.00 0.00 55.95 58.97 2k5h s SER 56 Cb -0.12 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2k5h s SER 56 CO 0.03 -1.37 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2k5h n GLY 57 N -1.40 7.00 3.03 3.44 0.00 0.69 -4.78 105.19 113.17 2k5h n GLY 57 Ca 0.08 -1.96 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 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 1.95 0.03 0.99 1.43 -1.04 -0.76 118.68 121.27 2k5h s LEU 58 Ca 0.00 -0.19 0.08 0.00 -1.03 0.00 0.00 54.13 52.99 2k5h s LEU 58 Cb 0.00 -0.53 -0.02 0.00 0.03 0.00 0.00 46.19 45.66 2k5h s LEU 58 CO 0.00 0.11 -0.24 0.68 0.23 0.00 0.00 176.35 177.13 2k5h s VAL 59 N -0.11 1.90 -0.22 -1.59 -7.23 0.91 -0.31 120.40 113.76 2k5h s VAL 59 Ca 0.02 -1.22 -0.05 0.00 -1.81 0.00 0.00 61.98 58.92 2k5h s VAL 59 Cb -0.05 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2k5h s VAL 59 CO -0.00 0.36 0.01 -0.75 -0.31 0.00 0.00 175.10 174.40 2k5h s LYS 60 N -1.02 3.57 -0.53 4.82 2.20 -1.11 -0.35 119.74 127.32 2k5h s LYS 60 Ca 0.10 -0.54 0.02 0.00 -0.36 0.00 0.00 55.97 55.19 2k5h s LYS 60 Cb -0.09 -3.12 0.13 0.00 -1.51 0.00 0.00 37.83 33.24 2k5h s LYS 60 CO 0.01 -0.09 0.29 0.08 -0.36 0.00 0.00 175.35 175.28 2k5h s VAL 61 N 1.27 2.90 -0.87 4.02 1.01 0.11 -4.26 120.40 124.58 2k5h s VAL 61 Ca 0.04 -3.07 -0.05 0.00 0.00 0.00 0.00 61.98 58.90 2k5h s VAL 61 Cb -0.15 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.25 2k5h s VAL 61 CO 0.01 -0.80 0.69 0.47 0.00 0.00 0.00 175.10 175.47 2k5h n ASP 62 N 3.39 -6.11 0.00 3.32 8.00 -1.26 -2.80 116.55 121.09 2k5h n ASP 62 Ca 0.05 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.92 2k5h n ASP 62 Cb 0.35 -3.49 0.00 0.00 -0.02 0.00 0.00 41.12 37.96 2k5h n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k5h n GLY 63 N -1.70 2.60 3.75 0.44 0.00 -1.26 -5.00 105.19 104.02 2k5h n GLY 63 Ca -0.14 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 4.26 -0.33 1.61 2.02 -1.12 -5.04 118.70 120.10 2k5h s GLU 64 Ca 0.00 0.45 -0.10 0.00 0.02 0.00 0.00 54.97 55.34 2k5h s GLU 64 Cb 0.00 -3.39 0.01 0.00 0.10 0.00 0.00 34.13 30.85 2k5h s GLU 64 CO 0.00 0.27 0.16 0.99 0.02 0.00 0.00 175.26 176.71 2k5h s THR 65 N 0.24 4.52 0.33 3.63 2.01 -1.26 0.05 115.64 125.15 2k5h s THR 65 Ca 0.25 -0.62 0.08 0.00 0.31 0.00 0.00 61.69 61.71 2k5h s THR 65 Cb -0.16 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2k5h s THR 65 CO 0.11 -0.04 0.25 0.26 -0.69 0.00 0.00 174.62 174.51 2k5h s TRP 66 N 1.58 2.88 0.59 4.92 0.52 0.53 -4.91 118.94 125.05 2k5h s TRP 66 Ca 0.03 -0.30 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 2k5h s TRP 66 Cb -0.18 -1.72 -0.03 0.00 -1.15 0.00 0.00 33.47 30.39 2k5h s TRP 66 CO 0.06 0.25 0.97 1.03 0.02 0.00 0.00 176.95 179.28 2k5h s ARG 67 N -3.95 3.50 -0.13 4.98 0.52 -0.94 -0.06 118.95 122.88 2k5h s ARG 67 Ca 0.39 0.56 -0.13 0.00 -0.52 0.00 0.00 55.73 56.03 2k5h s ARG 67 Cb -0.05 -2.16 0.03 0.00 0.52 0.00 0.00 34.95 33.29 2k5h s ARG 67 CO 0.26 -0.52 0.36 0.00 0.02 0.00 0.00 175.30 175.42 2k5h s ALA 68 N -3.07 -0.90 0.16 2.13 0.00 0.06 -0.53 121.76 119.61 2k5h s ALA 68 Ca 0.53 0.98 0.03 0.00 0.00 0.00 0.00 51.96 53.50 2k5h s ALA 68 Cb -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 2k5h s ALA 68 CO 0.51 -0.18 -0.05 0.99 0.00 0.00 0.00 175.76 177.03 2k5h s THR 69 N 0.08 0.89 0.24 0.00 2.01 0.60 -0.22 115.64 119.24 2k5h s THR 69 Ca -0.01 -2.00 -0.22 0.00 0.31 0.00 0.00 61.69 59.77 2k5h s THR 69 Cb -0.03 -1.97 0.03 0.00 0.01 0.00 0.00 72.50 70.55 2k5h s THR 69 CO 0.01 -0.63 0.73 -0.55 -0.69 0.00 0.00 174.62 173.48 2k5h s SER 70 N -3.16 -0.31 -0.04 3.53 0.15 -1.26 -1.66 113.70 110.95 2k5h s SER 70 Ca 0.20 -0.48 0.12 0.00 0.70 0.00 0.00 55.95 56.48 2k5h s SER 70 Cb 0.05 0.68 0.41 0.00 -1.71 0.00 0.00 66.02 65.44 2k5h s SER 70 CO 0.02 -1.23 1.29 0.61 1.20 0.00 0.00 173.24 175.12 2k5h n GLY 71 N -0.44 1.42 3.38 9.45 0.00 -1.26 -3.65 105.19 114.09 2k5h n GLY 71 Ca -0.06 -0.48 -0.19 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.61 1.13 -0.17 2.61 2.01 -1.26 -4.78 115.64 113.57 2k5h s THR 72 Ca 0.29 -2.03 -0.13 0.00 0.31 0.00 0.00 61.69 60.13 2k5h s THR 72 Cb 0.18 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 70.10 2k5h s THR 72 CO 0.16 -0.18 0.27 0.54 -0.69 0.00 0.00 174.62 174.72 2k5h s VAL 73 N -3.35 5.32 -0.13 3.82 0.11 -1.26 -3.51 120.40 121.40 2k5h s VAL 73 Ca 0.32 0.49 0.02 0.00 -2.93 0.00 0.00 61.98 59.88 2k5h s VAL 73 Cb 0.07 -3.61 0.01 0.00 -1.53 0.00 0.00 36.38 31.32 2k5h s VAL 73 CO 0.12 0.39 -0.20 -0.76 -3.33 0.00 0.00 175.10 171.32 2k5h s LEU 74 N 0.51 1.98 0.68 2.54 1.43 0.16 -4.99 118.68 120.99 2k5h s LEU 74 Ca 0.15 -0.54 -0.04 0.00 -1.03 0.00 0.00 54.13 52.67 2k5h s LEU 74 Cb -0.13 -1.32 0.07 0.00 0.03 0.00 0.00 46.19 44.84 2k5h s LEU 74 CO 0.03 0.07 0.96 -0.62 0.23 0.00 0.00 176.35 177.01 2k5h s ASP 75 N 0.83 4.77 -0.04 2.29 3.68 -1.26 -0.70 116.67 126.24 2k5h s ASP 75 Ca -0.08 0.16 -0.30 0.00 2.13 0.00 0.00 52.55 54.47 2k5h s ASP 75 Cb -0.16 -0.80 -0.04 0.00 -1.45 0.00 0.00 42.92 40.48 2k5h s ASP 75 CO -0.01 -1.57 1.21 -0.69 0.13 0.00 0.00 175.17 174.23 2k5h s VAL 76 N -3.12 4.22 0.00 1.11 1.01 -1.26 -2.76 120.40 119.60 2k5h s VAL 76 Ca 0.61 1.55 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2k5h s VAL 76 Cb -0.09 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2k5h s VAL 76 CO 0.43 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.15 2k5h n GLY 77 N 3.36 0.55 3.81 4.51 0.00 0.79 -5.01 105.19 113.19 2k5h n GLY 77 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.94 2.12 -0.21 1.61 0.41 -1.11 -4.77 118.70 115.81 2k5h s GLU 78 Ca 0.00 0.65 -0.04 0.00 -0.41 0.00 0.00 54.97 55.18 2k5h s GLU 78 Cb 0.00 -1.92 -0.01 0.00 -1.78 0.00 0.00 34.13 30.42 2k5h s GLU 78 CO 0.00 -1.60 -0.05 -1.21 -0.49 0.00 0.00 175.26 171.91 2k5h s GLU 79 N -5.15 3.40 0.14 1.61 2.02 -1.26 -1.52 118.70 117.94 2k5h s GLU 79 Ca 0.61 -0.62 0.09 0.00 0.02 0.00 0.00 54.97 55.06 2k5h s GLU 79 Cb -0.14 -2.97 -0.04 0.00 0.10 0.00 0.00 34.13 31.08 2k5h s GLU 79 CO 0.54 -0.13 -0.21 0.14 0.02 0.00 0.00 175.26 175.62 2k5h s VAL 80 N 1.31 1.88 -0.21 2.63 -7.23 0.69 -0.91 120.40 118.56 2k5h s VAL 80 Ca 0.04 -1.76 -0.09 0.00 -1.81 0.00 0.00 61.98 58.35 2k5h s VAL 80 Cb -0.14 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.97 2k5h s VAL 80 CO -0.02 -0.15 0.12 -0.44 -0.31 0.00 0.00 175.10 174.30 2k5h s SER 81 N -2.30 6.03 -0.35 4.85 0.01 0.19 0.66 113.70 122.80 2k5h s SER 81 Ca 0.12 0.15 -0.24 0.00 1.31 0.00 0.00 55.95 57.29 2k5h s SER 81 Cb -0.08 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.10 2k5h s SER 81 CO 0.06 0.14 0.85 -0.69 0.41 0.00 0.00 173.24 174.01 2k5h s VAL 82 N 0.59 4.68 -0.15 3.43 1.01 -0.88 -2.14 120.40 126.94 2k5h s VAL 82 Ca 0.07 1.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 2k5h s VAL 82 Cb -0.12 -4.25 -0.15 0.00 0.00 0.00 0.00 36.38 31.86 2k5h s VAL 82 CO 0.00 -0.43 0.31 0.11 0.00 0.00 0.00 175.10 175.10 2k5h h LYS 83 N 8.37 0.00 -3.73 2.72 1.57 -1.34 -2.66 116.57 121.51 2k5h h LYS 83 Ca -0.24 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.46 2k5h h LYS 83 Cb 1.09 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.30 2k5h h LYS 83 CO 0.94 0.64 -0.15 0.00 -0.57 0.00 0.00 179.45 180.30 2k5h s ALA 84 N -2.41 -0.11 -0.07 3.86 0.00 -1.12 -4.76 121.76 117.15 2k5h s ALA 84 Ca -0.17 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 50.84 2k5h s ALA 84 Cb 0.01 1.09 -0.03 0.00 0.00 0.00 0.00 23.12 24.19 2k5h s ALA 84 CO 0.45 -0.84 -0.10 0.42 0.00 0.00 0.00 175.76 175.69 2k5h s ILE 85 N -3.98 3.39 -0.46 0.00 1.01 -1.26 -0.38 121.20 119.53 2k5h s ILE 85 Ca 0.24 -0.59 0.03 0.00 0.00 0.00 0.00 60.65 60.33 2k5h s ILE 85 Cb -0.00 -2.38 0.16 0.00 0.01 0.00 0.00 42.46 40.25 2k5h s ILE 85 CO 0.10 0.58 0.34 -0.70 0.00 0.00 0.00 174.94 175.25 2k5h s GLU 86 N -0.57 1.18 6.23 2.79 2.12 0.89 -4.90 118.70 126.45 2k5h s GLU 86 Ca 0.08 -2.20 0.00 0.00 0.36 0.00 0.00 54.97 53.21 2k5h s GLU 86 Cb -0.12 -1.88 0.00 0.00 0.26 0.00 0.00 34.13 32.39 2k5h s GLU 86 CO 0.02 -1.31 0.00 0.41 -0.54 0.00 0.00 175.26 173.83 2k5h n GLY 87 N 2.96 1.72 0.75 -1.50 0.00 -1.26 -2.05 105.19 105.80 2k5h n GLY 87 Ca 0.23 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.27 2k5h n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k5h n VAL 88 N 0.00 0.00 -4.46 1.61 0.31 -1.26 -4.96 118.33 109.57 2k5h n VAL 88 Ca 0.00 -0.39 -0.23 0.00 -0.01 0.00 0.00 64.34 63.71 2k5h n VAL 88 Cb 0.00 1.36 -0.10 0.00 -0.91 0.00 0.00 33.84 34.19 2k5h n VAL 88 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2k5h s LYS 89 N -2.20 1.64 0.13 5.55 -2.85 -0.87 -2.21 119.74 118.93 2k5h s LYS 89 Ca 0.24 -1.86 0.11 0.00 -1.00 0.00 0.00 55.97 53.46 2k5h s LYS 89 Cb 0.19 -1.22 -0.04 0.00 -2.06 0.00 0.00 37.83 34.70 2k5h s LYS 89 CO 0.42 0.00 -0.27 -0.51 0.10 0.00 0.00 175.35 175.09 2k5h s LEU 90 N -3.50 2.32 -0.47 2.77 1.43 0.31 -0.07 118.68 121.48 2k5h s LEU 90 Ca 0.32 -0.75 -0.19 0.00 -1.03 0.00 0.00 54.13 52.48 2k5h s LEU 90 Cb 0.05 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 45.10 2k5h s LEU 90 CO 0.14 0.18 0.57 -0.69 0.23 0.00 0.00 176.35 176.77 2k5h s VAL 91 N -1.08 4.94 0.35 -1.59 1.01 0.49 -0.29 120.40 124.24 2k5h s VAL 91 Ca 0.14 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.80 2k5h s VAL 91 Cb -0.10 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2k5h s VAL 91 CO 0.06 -0.65 0.05 0.68 0.00 0.00 0.00 175.10 175.24 2k5h s VAL 92 N 2.49 1.29 0.32 2.92 -7.23 -0.66 -0.85 120.40 118.67 2k5h s VAL 92 Ca 0.15 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.24 2k5h s VAL 92 Cb -0.18 -2.79 0.01 0.00 0.56 0.00 0.00 36.38 33.98 2k5h s VAL 92 CO 0.13 0.00 0.53 -1.83 -0.31 0.00 0.00 175.10 173.62 2k5h s GLU 93 N -3.85 1.84 0.45 4.82 -1.05 -0.91 -4.44 118.70 115.56 2k5h s GLU 93 Ca 0.35 -1.54 -0.20 0.00 -0.15 0.00 0.00 54.97 53.43 2k5h s GLU 93 Cb 0.08 0.48 -0.10 0.00 -0.44 0.00 0.00 34.13 34.15 2k5h s GLU 93 CO 0.16 -0.78 0.97 0.21 0.95 0.00 0.00 175.26 176.76 2k5h s LYS 94 N -3.25 4.13 0.78 -4.83 2.20 -1.26 0.57 119.74 118.08 2k5h s LYS 94 Ca 0.25 1.12 -0.13 0.00 -0.36 0.00 0.00 55.97 56.86 2k5h s LYS 94 Cb -0.01 -2.16 0.07 0.00 -1.51 0.00 0.00 37.83 34.22 2k5h s LYS 94 CO 0.15 -0.12 1.17 -0.51 -0.36 0.00 0.00 175.35 175.67 2k5h s LEU 95 N -3.37 3.15 0.35 5.43 2.01 -0.09 -4.61 118.68 121.55 2k5h s LEU 95 Ca 0.62 2.21 -0.25 0.00 0.01 0.00 0.00 54.13 56.72 2k5h s LEU 95 Cb -0.10 -4.57 -0.10 0.00 0.01 0.00 0.00 46.19 41.43 2k5h s LEU 95 CO 0.17 -2.43 0.96 -0.70 1.01 0.00 0.00 176.35 175.36 2k5h s GLU 96 N -4.27 4.48 -0.02 1.70 2.12 -1.26 -5.04 118.70 116.41 2k5h s GLU 96 Ca 0.70 1.34 -0.05 0.00 0.36 0.00 0.00 54.97 57.32 2k5h s GLU 96 Cb -0.25 -2.70 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2k5h s GLU 96 CO 0.50 0.18 0.11 -2.00 -0.54 0.00 0.00 175.26 173.51 2k5h s GLU 97 N -2.23 0.28 0.00 4.30 2.12 -1.26 -5.06 118.70 116.85 2k5h s GLU 97 Ca 0.53 -0.13 0.04 0.00 0.36 0.00 0.00 54.97 55.77 2k5h s GLU 97 Cb -0.18 0.12 -0.00 0.00 0.26 0.00 0.00 34.13 34.32 2k5h s GLU 97 CO 0.23 -0.06 0.41 1.04 -0.54 0.00 0.00 175.26 176.35 2k5h n GLN 98 N 2.29 2.65 0.00 4.30 1.13 -1.26 -5.12 117.38 121.36 2k5h n GLN 98 Ca -0.17 -0.39 0.00 0.00 -1.94 0.00 0.00 57.00 54.49 2k5h n GLN 98 Cb 0.57 -0.89 0.00 0.00 0.11 0.00 0.00 30.24 30.03 2k5h n GLN 98 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2k5h n LYS 99 N -0.42 0.00 -3.80 -1.09 4.01 -1.26 -4.92 118.16 110.68 2k5h n LYS 99 Ca 0.02 0.00 -0.13 0.00 -0.51 0.00 0.00 58.31 57.69 2k5h n LYS 99 Cb 0.09 0.00 -0.13 0.00 -0.51 0.00 0.00 35.03 34.49 2k5h n LYS 99 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2k5h s GLY 100 N -4.39 -0.12 0.00 0.72 0.00 -1.26 -5.33 107.32 96.94 2k5h s GLY 100 Ca 0.00 0.57 0.04 0.00 0.00 0.00 0.00 44.72 45.33 2k5h s GLY 100 CO 0.00 0.58 0.64 1.44 0.00 0.00 0.00 173.10 175.76