#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 -0.55 -0.56 -5.12 0.00 -1.26 -5.11 107.32 94.72 2k5h s GLY 2 Ca 0.00 0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.84 2k5h s GLY 2 CO 0.00 0.09 1.36 -0.56 0.00 0.00 0.00 173.10 173.99 2k5h s SER 3 N -2.73 6.22 -0.34 1.64 0.01 -1.26 -4.96 113.70 112.28 2k5h s SER 3 Ca 0.01 0.27 -0.28 0.00 1.31 0.00 0.00 55.95 57.26 2k5h s SER 3 Cb -0.00 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 2k5h s SER 3 CO -0.12 -1.64 1.76 -0.44 0.41 0.00 0.00 173.24 173.20 2k5h s SER 4 N 4.03 5.93 -0.22 2.44 0.01 -1.26 -4.96 113.70 119.67 2k5h s SER 4 Ca 0.50 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2k5h s SER 4 Cb -0.10 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.66 2k5h s SER 4 CO 0.25 -1.69 -0.04 -1.38 0.41 0.00 0.00 173.24 170.79 2k5h s HIS 5 N 6.76 2.15 -0.26 2.43 0.00 -1.26 -5.08 115.29 120.03 2k5h s HIS 5 Ca 0.77 -1.58 -0.11 0.00 -3.00 0.00 0.00 55.06 51.15 2k5h s HIS 5 Cb -0.21 -1.48 0.10 0.00 -4.00 0.00 0.00 32.58 26.99 2k5h s HIS 5 CO 0.33 -0.74 0.60 -3.38 -1.00 0.00 0.00 174.74 170.55 2k5h s HIS 6 N 1.48 -1.10 0.40 0.38 -0.00 -1.26 -5.18 115.29 110.01 2k5h s HIS 6 Ca -0.05 2.04 0.07 0.00 -0.00 0.00 0.00 55.06 57.13 2k5h s HIS 6 Cb -0.18 0.62 -0.07 0.00 -0.00 0.00 0.00 32.58 32.95 2k5h s HIS 6 CO -0.07 -0.56 0.06 -3.38 -0.00 0.00 0.00 174.74 170.79 2k5h s HIS 7 N 2.33 2.54 0.44 0.38 0.00 -1.26 -5.12 115.29 114.60 2k5h s HIS 7 Ca -0.07 -0.62 -0.21 0.00 -3.00 0.00 0.00 55.06 51.16 2k5h s HIS 7 Cb -0.10 -1.80 -0.10 0.00 -4.00 0.00 0.00 32.58 26.58 2k5h s HIS 7 CO -0.18 0.37 0.98 -1.01 -1.00 0.00 0.00 174.74 173.90 2k5h s HIS 8 N -2.66 3.23 -0.00 0.38 0.09 -1.26 -5.07 115.29 110.00 2k5h s HIS 8 Ca 0.37 1.61 0.00 0.00 -0.00 0.00 0.00 55.06 57.04 2k5h s HIS 8 Cb 0.07 -2.92 -0.00 0.00 -0.00 0.00 0.00 32.58 29.73 2k5h s HIS 8 CO 0.19 -0.32 -0.01 -3.38 -0.00 0.00 0.00 174.74 171.22 2k5h s HIS 9 N -2.09 0.13 0.27 1.40 -0.00 -1.26 -5.16 115.29 108.57 2k5h s HIS 9 Ca 0.63 -0.02 0.07 0.00 -0.00 0.00 0.00 55.06 55.73 2k5h s HIS 9 Cb -0.12 -0.09 -0.06 0.00 -0.00 0.00 0.00 32.58 32.32 2k5h s HIS 9 CO 0.16 -0.01 -0.07 -3.38 -0.00 0.00 0.00 174.74 171.44 2k5h s HIS 10 N -0.00 1.90 -0.62 0.38 0.00 -1.26 -5.09 115.29 110.60 2k5h s HIS 10 Ca 0.00 -0.69 -0.28 0.00 -3.00 0.00 0.00 55.06 51.09 2k5h s HIS 10 Cb -0.01 -1.05 0.03 0.00 -4.00 0.00 0.00 32.58 27.54 2k5h s HIS 10 CO -0.00 0.27 1.24 -1.54 -1.00 0.00 0.00 174.74 173.72 2k5h s SER 11 N -3.42 6.33 -0.20 7.38 1.04 -1.26 -4.99 113.70 118.58 2k5h s SER 11 Ca 0.28 -0.02 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 2k5h s SER 11 Cb 0.03 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.57 2k5h s SER 11 CO 0.11 -1.61 0.01 -0.44 0.98 0.00 0.00 173.24 172.30 2k5h s SER 12 N 3.35 4.97 0.00 7.02 0.01 -1.26 -5.06 113.70 122.74 2k5h s SER 12 Ca 0.42 -0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.52 2k5h s SER 12 Cb -0.08 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 64.30 2k5h s SER 12 CO 0.23 0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2k5h n GLY 13 N 4.16 -1.64 3.08 3.44 0.00 -1.26 -5.16 105.19 107.81 2k5h n GLY 13 Ca -0.17 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.64 2k5h n GLY 13 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k5h s ARG 14 N -1.80 0.29 0.61 1.61 3.52 -1.26 -5.17 118.95 116.75 2k5h s ARG 14 Ca 0.00 0.10 -0.01 0.00 -0.13 0.00 0.00 55.73 55.69 2k5h s ARG 14 Cb 0.00 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.58 2k5h s ARG 14 CO 0.00 -0.05 0.86 -1.83 -0.81 0.00 0.00 175.30 173.47 2k5h s GLU 15 N -0.28 2.33 0.27 5.12 -1.05 -1.26 -5.13 118.70 118.71 2k5h s GLU 15 Ca -0.04 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.09 2k5h s GLU 15 Cb -0.03 -2.39 -0.03 0.00 -0.44 0.00 0.00 34.13 31.25 2k5h s GLU 15 CO 0.01 -0.95 0.26 1.21 0.95 0.00 0.00 175.26 176.75 2k5h s ASN 16 N -4.49 0.72 0.00 0.83 3.84 -1.26 -5.18 114.94 109.40 2k5h s ASN 16 Ca 0.59 -1.47 0.00 0.00 0.21 0.00 0.00 52.86 52.19 2k5h s ASN 16 Cb -0.10 0.50 0.00 0.00 -0.55 0.00 0.00 41.25 41.10 2k5h s ASN 16 CO 0.41 -1.01 0.00 0.18 -2.79 0.00 0.00 177.10 173.89 2k5h n LEU 17 N -0.44 0.00 -4.87 3.21 4.77 -1.26 -5.09 117.00 113.32 2k5h n LEU 17 Ca 0.03 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 2k5h n LEU 17 Cb 0.64 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.72 2k5h n LEU 17 CO 0.31 0.00 0.58 -0.31 -1.33 0.00 0.00 177.39 176.64 2k5h s TYR 18 N 1.78 3.54 -0.36 -1.77 1.51 -1.26 -5.05 117.35 115.74 2k5h s TYR 18 Ca 0.00 1.15 -0.01 0.00 -1.01 0.00 0.00 57.07 57.20 2k5h s TYR 18 Cb 0.00 -2.57 0.09 0.00 -0.11 0.00 0.00 41.96 39.37 2k5h s TYR 18 CO 0.00 -0.40 0.11 -0.06 -1.11 0.00 0.00 175.55 174.09 2k5h s PHE 19 N -2.78 3.50 -0.98 2.71 0.08 -1.26 -4.97 117.98 114.28 2k5h s PHE 19 Ca 0.53 -2.32 0.21 0.00 0.12 0.00 0.00 56.93 55.47 2k5h s PHE 19 Cb -0.10 -2.79 0.90 0.00 -0.57 0.00 0.00 43.02 40.46 2k5h s PHE 19 CO 0.42 -0.91 1.68 0.00 -0.10 0.00 0.00 175.22 176.31 2k5h n GLN 20 N 4.55 0.01 0.00 0.44 10.64 -1.26 -4.87 117.38 126.90 2k5h n GLN 20 Ca -0.05 0.15 0.00 0.00 -1.83 0.00 0.00 57.00 55.27 2k5h n GLN 20 Cb 0.42 -1.52 0.00 0.00 -0.86 0.00 0.00 30.24 28.28 2k5h n GLN 20 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k5h n GLY 21 N 0.68 2.92 3.55 2.61 0.00 -1.26 -4.93 105.19 108.76 2k5h n GLY 21 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2k5h n GLY 21 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k5h s HIS 22 N -1.92 1.73 0.00 1.61 5.04 -1.26 -4.23 115.29 116.26 2k5h s HIS 22 Ca 0.00 0.70 0.00 0.00 -1.54 0.00 0.00 55.06 54.22 2k5h s HIS 22 Cb 0.00 -4.11 0.00 0.00 0.04 0.00 0.00 32.58 28.51 2k5h s HIS 22 CO 0.00 -2.19 0.00 -0.12 -2.34 0.00 0.00 174.74 170.09 2k5h n MET 23 N 9.13 0.00 -3.38 2.88 1.56 -1.26 -5.17 117.12 120.88 2k5h n MET 23 Ca 0.23 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.61 2k5h n MET 23 Cb 0.51 0.00 0.02 0.00 2.15 0.00 0.00 33.22 35.90 2k5h n MET 23 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k5h n ALA 24 N -2.15 -1.76 -1.73 -5.12 0.00 -1.26 -4.95 120.51 103.54 2k5h n ALA 24 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 53.44 52.28 2k5h n ALA 24 Cb 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 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 -1.01 -0.32 -2.81 0.00 0.00 -1.26 -4.93 120.51 110.18 2k5h n ALA 25 Ca -0.13 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.10 2k5h n ALA 25 Cb 0.50 -1.76 -0.04 0.00 0.00 0.00 0.00 19.45 18.14 2k5h n ALA 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k5h s ARG 26 N -3.82 3.15 0.39 0.00 3.52 -1.26 -5.00 118.95 115.93 2k5h s ARG 26 Ca 0.00 -0.71 -0.27 0.00 -0.13 0.00 0.00 55.73 54.62 2k5h s ARG 26 Cb 0.00 -4.19 -0.10 0.00 -1.56 0.00 0.00 34.95 29.10 2k5h s ARG 26 CO 0.00 -1.75 1.44 0.96 -0.81 0.00 0.00 175.30 175.14 2k5h s ILE 27 N 4.05 2.18 -0.11 4.11 -0.00 -1.26 -5.02 121.20 125.14 2k5h s ILE 27 Ca 0.24 0.17 -0.02 0.00 -0.00 0.00 0.00 60.65 61.04 2k5h s ILE 27 Cb -0.16 -3.11 0.04 0.00 -0.00 0.00 0.00 42.46 39.23 2k5h s ILE 27 CO 0.12 0.04 0.02 -0.89 -0.00 0.00 0.00 174.94 174.22 2k5h s THR 28 N -1.15 0.39 0.13 8.37 2.01 -1.26 -5.14 115.64 118.99 2k5h s THR 28 Ca 0.55 -0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.25 2k5h s THR 28 Cb -0.44 -0.68 -0.07 0.00 0.01 0.00 0.00 72.50 71.31 2k5h s THR 28 CO 0.59 0.09 0.64 -0.83 -0.69 0.00 0.00 174.62 174.42 2k5h s GLY 29 N 1.95 2.68 -0.04 4.40 0.00 -1.26 -5.08 107.32 109.97 2k5h s GLY 29 Ca 0.03 0.10 -0.00 0.00 0.00 0.00 0.00 44.72 44.85 2k5h s GLY 29 CO -0.06 0.51 -0.00 1.85 0.00 0.00 0.00 173.10 175.40 2k5h s GLU 30 N -1.41 2.88 -0.16 2.90 2.12 -1.26 -5.06 118.70 118.71 2k5h s GLU 30 Ca 0.34 -0.51 -0.29 0.00 0.36 0.00 0.00 54.97 54.88 2k5h s GLU 30 Cb -0.19 -2.73 -0.06 0.00 0.26 0.00 0.00 34.13 31.42 2k5h s GLU 30 CO 0.21 0.66 2.10 -2.14 -0.54 0.00 0.00 175.26 175.55 2k5h s PRO 31 N -1.21 3.43 0.26 4.30 0.02 -1.26 -4.94 135.00 135.60 2k5h s PRO 31 Ca 0.16 2.11 0.00 0.00 0.02 0.00 0.00 61.00 63.30 2k5h s PRO 31 Cb -0.11 -4.29 -0.00 0.00 0.02 0.00 0.00 34.50 30.11 2k5h s PRO 31 CO 0.06 -1.76 0.33 0.43 -0.33 0.00 0.00 177.00 175.73 2k5h n SER 32 N 10.40 -0.90 -1.87 2.53 7.64 -1.26 -5.18 113.62 124.98 2k5h n SER 32 Ca 0.26 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.67 2k5h n SER 32 Cb 0.44 1.74 0.00 0.00 -1.01 0.00 0.00 64.21 65.38 2k5h n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k5h n LYS 33 N -0.44 0.89 -1.43 1.43 5.02 -1.26 -4.92 118.16 117.45 2k5h n LYS 33 Ca 0.02 0.00 -0.50 0.00 -2.02 0.00 0.00 58.31 55.80 2k5h n LYS 33 Cb 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.37 2k5h n LYS 33 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k5h n LYS 34 N -0.73 0.92 -2.68 1.97 4.81 -1.26 -4.90 118.16 116.29 2k5h n LYS 34 Ca 0.00 0.23 -0.33 0.00 -0.87 0.00 0.00 58.31 57.35 2k5h n LYS 34 Cb 0.00 -2.37 -0.06 0.00 0.02 0.00 0.00 35.03 32.62 2k5h n LYS 34 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k5h s ALA 35 N 7.50 3.04 -0.18 3.14 0.00 -1.26 -5.04 121.76 128.96 2k5h s ALA 35 Ca 1.11 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 53.28 2k5h s ALA 35 Cb -0.91 -3.14 -0.05 0.00 0.00 0.00 0.00 23.12 19.02 2k5h s ALA 35 CO 0.50 0.00 0.26 0.54 0.00 0.00 0.00 175.76 177.06 2k5h s VAL 36 N -2.32 5.32 -0.00 0.00 0.11 -1.26 -5.08 120.40 117.17 2k5h s VAL 36 Ca 0.61 0.47 0.01 0.00 -2.93 0.00 0.00 61.98 60.14 2k5h s VAL 36 Cb -0.09 -3.60 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 2k5h s VAL 36 CO 0.19 0.38 0.04 -0.44 -3.33 0.00 0.00 175.10 171.94 2k5h s SER 37 N 0.57 5.42 0.00 3.54 0.01 -1.26 -5.00 113.70 116.97 2k5h s SER 37 Ca 0.14 0.07 0.30 0.00 1.31 0.00 0.00 55.95 57.77 2k5h s SER 37 Cb -0.13 -1.49 1.67 0.00 0.21 0.00 0.00 66.02 66.28 2k5h s SER 37 CO 0.03 0.27 2.09 -0.90 0.41 0.00 0.00 173.24 175.14 2k5h n ASP 38 N 1.26 0.00 0.00 2.44 5.68 -1.26 -3.10 116.55 121.58 2k5h n ASP 38 Ca -0.14 -0.59 0.12 0.00 -0.50 0.00 0.00 54.79 53.67 2k5h n ASP 38 Cb 0.53 -0.12 0.65 0.00 -1.14 0.00 0.00 41.12 41.04 2k5h n ASP 38 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 2k5h n ARG 39 N -1.12 0.60 0.00 0.11 1.74 -1.26 -1.77 116.66 114.95 2k5h n ARG 39 Ca 0.19 0.03 0.12 0.00 -0.77 0.00 0.00 57.85 57.41 2k5h n ARG 39 Cb 0.16 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 30.34 2k5h n ARG 39 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k5h n LEU 40 N -1.10 0.69 -4.67 0.55 4.77 -1.18 -4.80 117.00 111.25 2k5h n LEU 40 Ca 0.15 -0.12 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 2k5h n LEU 40 Cb 0.11 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 2k5h n LEU 40 CO 0.15 0.16 0.70 -0.63 -1.33 0.00 0.00 177.39 176.43 2k5h s ILE 41 N -2.89 4.83 0.00 -0.08 -1.09 -0.73 -3.15 121.20 118.10 2k5h s ILE 41 Ca 0.14 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.36 2k5h s ILE 41 Cb 0.18 -4.21 0.00 0.00 -1.58 0.00 0.00 42.46 36.85 2k5h s ILE 41 CO 0.68 -0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.99 2k5h n GLY 42 N 3.33 0.80 3.90 6.18 0.00 -0.88 -5.07 105.19 113.45 2k5h n GLY 42 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.82 3.60 0.06 1.61 1.81 -1.19 -4.87 118.95 119.15 2k5h s ARG 43 Ca 0.00 0.20 -0.10 0.00 -1.72 0.00 0.00 55.73 54.11 2k5h s ARG 43 Cb 0.00 -2.43 -0.06 0.00 -0.45 0.00 0.00 34.95 32.01 2k5h s ARG 43 CO 0.00 -0.09 0.38 0.21 -0.68 0.00 0.00 175.30 175.12 2k5h s LYS 44 N -4.37 3.75 0.23 3.54 2.20 -1.26 -1.84 119.74 121.98 2k5h s LYS 44 Ca 0.47 0.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.29 2k5h s LYS 44 Cb -0.10 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.13 2k5h s LYS 44 CO 0.39 0.59 -0.02 0.20 -0.36 0.00 0.00 175.35 176.15 2k5h s GLY 45 N -1.66 1.54 0.02 5.54 0.00 0.16 -4.70 107.32 108.22 2k5h s GLY 45 Ca 0.31 -1.76 0.08 0.00 0.00 0.00 0.00 44.72 43.35 2k5h s GLY 45 CO 0.17 -1.69 -0.22 0.54 0.00 0.00 0.00 173.10 171.90 2k5h s VAL 46 N -3.34 2.43 -0.39 1.40 0.11 -1.25 0.04 120.40 119.39 2k5h s VAL 46 Ca 0.27 -1.21 -0.24 0.00 -2.93 0.00 0.00 61.98 57.87 2k5h s VAL 46 Cb 0.05 -1.96 0.01 0.00 -1.53 0.00 0.00 36.38 32.96 2k5h s VAL 46 CO 0.08 0.42 0.84 -0.69 -3.33 0.00 0.00 175.10 172.42 2k5h s VAL 47 N -0.80 4.65 -0.18 2.04 1.01 -0.60 -2.32 120.40 124.21 2k5h s VAL 47 Ca 0.12 0.91 0.08 0.00 0.00 0.00 0.00 61.98 63.10 2k5h s VAL 47 Cb -0.10 -4.29 -0.22 0.00 0.00 0.00 0.00 36.38 31.77 2k5h s VAL 47 CO 0.02 -0.55 0.14 0.23 0.00 0.00 0.00 175.10 174.95 2k5h n MET 48 N 6.65 0.68 -4.81 2.72 2.81 0.56 -0.75 117.12 124.98 2k5h n MET 48 Ca 0.05 0.14 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 2k5h n MET 48 Cb 0.48 -1.60 -0.15 0.00 -0.71 0.00 0.00 33.22 31.24 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 -2.53 1.52 0.02 0.03 2.56 -0.55 -4.81 118.70 114.94 2k5h s GLU 49 Ca -0.18 -0.85 -0.33 0.00 0.00 0.00 0.00 54.97 53.61 2k5h s GLU 49 Cb 0.07 -1.56 -0.11 0.00 2.00 0.00 0.00 34.13 34.53 2k5h s GLU 49 CO 0.75 0.41 1.84 0.00 -0.56 0.00 0.00 175.26 177.70 2k5h n ALA 50 N 2.16 1.37 -2.60 6.30 0.00 -1.26 -2.57 120.51 123.92 2k5h n ALA 50 Ca -0.16 0.31 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 2k5h n ALA 50 Cb 0.53 -2.53 -0.09 0.00 0.00 0.00 0.00 19.45 17.37 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 3.31 5.15 0.19 0.00 1.01 0.48 -3.87 121.20 127.47 2k5h s ILE 51 Ca 0.87 0.58 0.04 0.00 0.00 0.00 0.00 60.65 62.14 2k5h s ILE 51 Cb -0.60 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.09 2k5h s ILE 51 CO 0.44 0.12 -0.04 -0.94 0.00 0.00 0.00 174.94 174.52 2k5h s SER 52 N 1.64 1.76 0.00 3.58 1.04 -0.72 -0.33 113.70 120.67 2k5h s SER 52 Ca 0.16 -1.13 0.11 0.00 0.48 0.00 0.00 55.95 55.56 2k5h s SER 52 Cb -0.16 0.01 0.52 0.00 0.10 0.00 0.00 66.02 66.49 2k5h s SER 52 CO 0.10 -0.45 1.25 -2.65 0.98 0.00 0.00 173.24 172.48 2k5h n PRO 53 N -0.31 0.12 -0.09 4.02 -0.02 -1.26 -3.28 135.00 134.17 2k5h n PRO 53 Ca -0.07 0.22 -0.14 0.00 -2.02 0.00 0.00 63.50 61.49 2k5h n PRO 53 Cb 0.62 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.55 2k5h n PRO 53 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2k5h n GLN 54 N -1.33 0.52 -4.45 -0.52 6.02 -1.26 -4.99 117.38 111.37 2k5h n GLN 54 Ca 0.04 0.41 -0.20 0.00 -0.01 0.00 0.00 57.00 57.24 2k5h n GLN 54 Cb 0.09 -1.60 -0.15 0.00 1.02 0.00 0.00 30.24 29.60 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 -6.32 1.27 0.50 1.08 3.84 -1.20 -5.13 114.94 108.98 2k5h s ASN 55 Ca -0.26 -0.20 -0.22 0.00 0.21 0.00 0.00 52.86 52.40 2k5h s ASN 55 Cb 0.06 -0.22 -0.06 0.00 -0.55 0.00 0.00 41.25 40.47 2k5h s ASN 55 CO 0.40 0.11 1.23 -0.44 -2.79 0.00 0.00 177.10 175.61 2k5h s SER 56 N -0.08 5.80 0.19 -4.21 0.01 -1.26 -1.75 113.70 112.40 2k5h s SER 56 Ca 0.01 2.46 0.03 0.00 1.31 0.00 0.00 55.95 59.76 2k5h s SER 56 Cb -0.06 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.59 2k5h s SER 56 CO -0.00 -1.18 0.26 0.61 0.41 0.00 0.00 173.24 173.34 2k5h n GLY 57 N 0.53 1.92 3.15 3.44 0.00 -0.54 -4.82 105.19 108.86 2k5h n GLY 57 Ca 0.09 -2.16 -0.31 0.00 0.00 0.00 0.00 46.02 43.64 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 1.98 0.09 0.99 1.43 -1.06 -0.84 118.68 121.27 2k5h s LEU 58 Ca 0.20 -0.53 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 2k5h s LEU 58 Cb -0.02 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.87 2k5h s LEU 58 CO 0.13 0.09 -0.26 0.68 0.23 0.00 0.00 176.35 177.21 2k5h s VAL 59 N 0.70 2.17 -0.34 -1.59 -7.23 0.08 -0.32 120.40 113.87 2k5h s VAL 59 Ca -0.11 -1.58 -0.06 0.00 -1.81 0.00 0.00 61.98 58.42 2k5h s VAL 59 Cb -0.16 -1.90 0.05 0.00 0.56 0.00 0.00 36.38 34.93 2k5h s VAL 59 CO 0.02 0.21 0.10 -0.75 -0.31 0.00 0.00 175.10 174.37 2k5h s LYS 60 N -1.68 2.55 -0.93 4.82 2.20 -0.98 -1.13 119.74 124.59 2k5h s LYS 60 Ca 0.13 -1.25 -0.19 0.00 -0.36 0.00 0.00 55.97 54.29 2k5h s LYS 60 Cb -0.10 -3.44 0.12 0.00 -1.51 0.00 0.00 37.83 32.90 2k5h s LYS 60 CO 0.04 -0.70 1.17 0.08 -0.36 0.00 0.00 175.35 175.58 2k5h s VAL 61 N 1.36 4.60 0.00 4.02 1.01 0.74 -3.91 120.40 128.22 2k5h s VAL 61 Ca -0.01 -1.43 0.00 0.00 0.00 0.00 0.00 61.98 60.54 2k5h s VAL 61 Cb -0.20 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.36 2k5h s VAL 61 CO 0.02 -1.57 0.00 -0.67 0.00 0.00 0.00 175.10 172.88 2k5h n ASP 62 N 6.91 0.00 -0.09 3.32 2.03 -1.26 -1.91 116.55 125.55 2k5h n ASP 62 Ca 0.24 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.55 2k5h n ASP 62 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 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 -1.56 3.24 0.27 0.00 -1.26 -5.09 105.19 100.79 2k5h n GLY 63 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 1.38 -0.27 1.61 2.02 -0.80 -5.12 118.70 117.51 2k5h s GLU 64 Ca 0.00 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 53.97 2k5h s GLU 64 Cb 0.00 -1.47 -0.05 0.00 0.10 0.00 0.00 34.13 32.71 2k5h s GLU 64 CO 0.00 0.38 0.21 0.99 0.02 0.00 0.00 175.26 176.85 2k5h s THR 65 N -0.77 5.31 0.24 3.63 2.01 -1.26 -0.18 115.64 124.60 2k5h s THR 65 Ca 0.07 0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.34 2k5h s THR 65 Cb -0.09 -3.54 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 2k5h s THR 65 CO 0.01 0.26 -0.03 0.26 -0.69 0.00 0.00 174.62 174.44 2k5h s TRP 66 N 1.63 1.65 0.73 4.92 0.52 -0.28 -5.00 118.94 123.10 2k5h s TRP 66 Ca 0.08 -0.84 -0.07 0.00 0.02 0.00 0.00 56.10 55.29 2k5h s TRP 66 Cb -0.15 -0.94 0.07 0.00 -1.15 0.00 0.00 33.47 31.30 2k5h s TRP 66 CO 0.09 0.07 1.04 1.03 0.02 0.00 0.00 176.95 179.21 2k5h s ARG 67 N -3.81 2.07 -0.17 4.98 3.00 -0.99 -0.74 118.95 123.29 2k5h s ARG 67 Ca 0.28 -0.27 -0.15 0.00 0.00 0.00 0.00 55.73 55.58 2k5h s ARG 67 Cb 0.05 -2.14 0.04 0.00 0.00 0.00 0.00 34.95 32.90 2k5h s ARG 67 CO 0.09 -1.34 0.44 0.00 0.00 0.00 0.00 175.30 174.49 2k5h s ALA 68 N -3.30 -1.09 -0.07 2.13 0.00 -0.02 0.30 121.76 119.71 2k5h s ALA 68 Ca 0.61 1.24 0.05 0.00 0.00 0.00 0.00 51.96 53.87 2k5h s ALA 68 Cb -0.10 -0.72 -0.01 0.00 0.00 0.00 0.00 23.12 22.29 2k5h s ALA 68 CO 0.45 -0.21 -0.24 0.95 0.00 0.00 0.00 175.76 176.72 2k5h s THR 69 N 0.23 2.14 0.21 0.00 -4.23 0.06 -1.47 115.64 112.57 2k5h s THR 69 Ca -0.00 -1.03 0.00 0.00 -1.18 0.00 0.00 61.69 59.48 2k5h s THR 69 Cb -0.03 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.98 2k5h s THR 69 CO 0.01 0.57 0.09 -0.55 -0.54 0.00 0.00 174.62 174.19 2k5h s SER 70 N -0.06 0.66 0.12 3.99 0.15 -1.26 -2.96 113.70 114.34 2k5h s SER 70 Ca -0.06 -1.33 0.23 0.00 0.70 0.00 0.00 55.95 55.48 2k5h s SER 70 Cb -0.15 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2k5h s SER 70 CO 0.05 -0.75 0.96 0.61 1.20 0.00 0.00 173.24 175.31 2k5h n GLY 71 N -0.30 -1.32 3.59 9.45 0.00 -1.26 -4.48 105.19 110.87 2k5h n GLY 71 Ca -0.01 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 2k5h n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k5h s THR 72 N -3.33 3.03 -0.18 2.61 -4.23 -1.26 -4.80 115.64 107.48 2k5h s THR 72 Ca -0.00 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 58.14 2k5h s THR 72 Cb 0.12 -2.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.29 2k5h s THR 72 CO 0.81 -0.36 1.12 0.54 -0.54 0.00 0.00 174.62 176.18 2k5h s VAL 73 N -2.41 4.54 -0.20 2.29 0.11 -1.26 -4.63 120.40 118.84 2k5h s VAL 73 Ca 0.31 1.85 -0.03 0.00 -2.93 0.00 0.00 61.98 61.18 2k5h s VAL 73 Cb -0.05 -4.19 -0.01 0.00 -1.53 0.00 0.00 36.38 30.59 2k5h s VAL 73 CO 0.18 -0.13 -0.05 -0.76 -3.33 0.00 0.00 175.10 171.01 2k5h s LEU 74 N 3.07 2.94 0.66 2.54 1.43 0.56 -4.98 118.68 124.89 2k5h s LEU 74 Ca 0.49 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2k5h s LEU 74 Cb -0.18 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.41 2k5h s LEU 74 CO 0.11 0.04 0.91 -0.62 0.23 0.00 0.00 176.35 177.02 2k5h s ASP 75 N 1.15 4.65 -0.02 2.29 -1.08 -1.26 -0.38 116.67 122.01 2k5h s ASP 75 Ca 0.02 -0.42 -0.30 0.00 -0.52 0.00 0.00 52.55 51.32 2k5h s ASP 75 Cb -0.14 -0.07 -0.05 0.00 -1.46 0.00 0.00 42.92 41.20 2k5h s ASP 75 CO -0.01 -1.64 1.33 -0.69 0.52 0.00 0.00 175.17 174.69 2k5h s VAL 76 N -2.98 3.90 0.00 1.11 1.01 -1.26 -2.76 120.40 119.43 2k5h s VAL 76 Ca 0.64 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.88 2k5h s VAL 76 Cb -0.06 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2k5h s VAL 76 CO 0.42 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.12 2k5h n GLY 77 N 3.56 0.76 3.88 4.51 0.00 0.07 -5.01 105.19 112.96 2k5h n GLY 77 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 2.83 -0.19 1.61 0.41 -1.11 -4.84 118.70 116.66 2k5h s GLU 78 Ca 0.00 0.48 -0.03 0.00 -0.41 0.00 0.00 54.97 55.02 2k5h s GLU 78 Cb 0.00 -2.02 -0.01 0.00 -1.78 0.00 0.00 34.13 30.32 2k5h s GLU 78 CO 0.00 -1.06 -0.07 -1.21 -0.49 0.00 0.00 175.26 172.43 2k5h s GLU 79 N -5.34 3.39 0.09 1.61 0.41 -1.26 -1.55 118.70 116.05 2k5h s GLU 79 Ca 0.58 -0.64 0.10 0.00 -0.41 0.00 0.00 54.97 54.61 2k5h s GLU 79 Cb -0.11 -2.90 -0.03 0.00 -1.78 0.00 0.00 34.13 29.30 2k5h s GLU 79 CO 0.52 -0.06 -0.26 0.14 -0.49 0.00 0.00 175.26 175.10 2k5h s VAL 80 N 1.10 2.22 -0.23 2.63 -7.23 0.11 -1.86 120.40 117.14 2k5h s VAL 80 Ca 0.01 -1.57 -0.10 0.00 -1.81 0.00 0.00 61.98 58.51 2k5h s VAL 80 Cb -0.15 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 34.82 2k5h s VAL 80 CO -0.01 0.23 0.15 -0.44 -0.31 0.00 0.00 175.10 174.72 2k5h s SER 81 N -1.65 6.12 -0.41 4.85 0.01 -0.52 0.35 113.70 122.46 2k5h s SER 81 Ca 0.13 0.13 -0.28 0.00 1.31 0.00 0.00 55.95 57.24 2k5h s SER 81 Cb -0.10 -2.10 0.02 0.00 0.21 0.00 0.00 66.02 64.06 2k5h s SER 81 CO 0.04 0.09 1.07 -0.69 0.41 0.00 0.00 173.24 174.16 2k5h s VAL 82 N 0.91 4.38 -0.12 3.43 1.01 -0.77 -2.11 120.40 127.12 2k5h s VAL 82 Ca 0.08 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.19 2k5h s VAL 82 Cb -0.13 -4.49 -0.26 0.00 0.00 0.00 0.00 36.38 31.50 2k5h s VAL 82 CO 0.03 -0.76 0.56 0.11 0.00 0.00 0.00 175.10 175.05 2k5h h LYS 83 N 8.75 0.17 -3.35 2.72 1.79 -1.42 -2.34 116.57 122.88 2k5h h LYS 83 Ca -0.22 -0.28 -0.06 0.00 -2.18 0.00 0.00 60.65 57.90 2k5h h LYS 83 Cb 1.06 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 31.68 2k5h h LYS 83 CO 1.07 1.14 -0.12 0.00 -1.08 0.00 0.00 179.45 180.45 2k5h s ALA 84 N -2.41 -0.86 -0.16 3.86 0.00 -1.08 -4.74 121.76 116.37 2k5h s ALA 84 Ca -0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2k5h s ALA 84 Cb 0.03 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 2k5h s ALA 84 CO 0.73 -0.57 0.08 0.42 0.00 0.00 0.00 175.76 176.42 2k5h s ILE 85 N -3.43 4.96 -0.64 0.00 1.01 -1.26 -0.23 121.20 121.61 2k5h s ILE 85 Ca 0.01 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.73 2k5h s ILE 85 Cb 0.01 -3.21 0.17 0.00 0.01 0.00 0.00 42.46 39.45 2k5h s ILE 85 CO -0.09 0.50 0.47 1.21 0.00 0.00 0.00 174.94 177.04 2k5h n GLU 86 N 3.10 1.51 0.00 2.79 4.07 0.80 -4.90 120.64 128.00 2k5h n GLU 86 Ca -0.17 -4.21 0.00 0.00 -0.06 0.00 0.00 57.16 52.71 2k5h n GLU 86 Cb 0.53 -2.15 0.00 0.00 -0.06 0.00 0.00 31.44 29.76 2k5h n GLU 86 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k5h n GLY 87 N 2.09 2.38 1.00 8.31 0.00 -1.26 -2.24 105.19 115.47 2k5h n GLY 87 Ca 0.22 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.78 -4.31 1.61 0.24 -1.26 -4.93 118.33 110.46 2k5h n VAL 88 Ca 0.00 -0.89 -0.21 0.00 -2.04 0.00 0.00 64.34 61.20 2k5h n VAL 88 Cb 0.00 0.70 -0.11 0.00 -1.47 0.00 0.00 33.84 32.96 2k5h n VAL 88 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 2k5h s LYS 89 N -1.13 1.20 0.08 7.34 -2.85 -0.95 -2.36 119.74 121.08 2k5h s LYS 89 Ca 0.35 -1.36 0.05 0.00 -1.00 0.00 0.00 55.97 54.01 2k5h s LYS 89 Cb 0.19 -1.21 -0.04 0.00 -2.06 0.00 0.00 37.83 34.71 2k5h s LYS 89 CO 0.26 0.24 -0.01 -0.51 0.10 0.00 0.00 175.35 175.43 2k5h s LEU 90 N -2.60 3.42 -0.48 2.77 1.43 0.15 -0.14 118.68 123.22 2k5h s LEU 90 Ca 0.14 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2k5h s LEU 90 Cb -0.06 -2.13 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2k5h s LEU 90 CO 0.06 0.19 0.55 -0.69 0.23 0.00 0.00 176.35 176.68 2k5h s VAL 91 N -1.27 4.98 0.20 -1.59 1.01 0.68 -0.76 120.40 123.65 2k5h s VAL 91 Ca 0.24 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 61.74 2k5h s VAL 91 Cb -0.12 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2k5h s VAL 91 CO 0.17 -0.69 -0.14 0.68 0.00 0.00 0.00 175.10 175.12 2k5h s VAL 92 N 2.36 1.71 0.17 2.92 -7.23 -1.15 -1.03 120.40 118.15 2k5h s VAL 92 Ca 0.13 -2.21 0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2k5h s VAL 92 Cb -0.20 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 2k5h s VAL 92 CO 0.11 -0.60 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.62 2k5h s GLU 93 N -3.65 1.14 0.24 4.82 2.02 -0.90 -4.48 118.70 117.90 2k5h s GLU 93 Ca 0.22 -1.52 -0.30 0.00 0.02 0.00 0.00 54.97 53.40 2k5h s GLU 93 Cb -0.01 -0.61 -0.09 0.00 0.10 0.00 0.00 34.13 33.53 2k5h s GLU 93 CO 0.07 0.02 1.16 0.21 0.02 0.00 0.00 175.26 176.73 2k5h s LYS 94 N -3.79 4.55 0.65 1.61 2.20 -1.26 -1.43 119.74 122.27 2k5h s LYS 94 Ca 0.20 1.86 -0.17 0.00 -0.36 0.00 0.00 55.97 57.50 2k5h s LYS 94 Cb 0.04 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2k5h s LYS 94 CO 0.03 0.05 1.08 1.28 -0.36 0.00 0.00 175.35 177.43 2k5h n LEU 95 N 1.76 4.48 -4.70 5.43 7.99 -0.78 -4.82 117.00 126.37 2k5h n LEU 95 Ca 0.01 0.77 -0.42 0.00 -0.01 0.00 0.00 56.01 56.37 2k5h n LEU 95 Cb 0.45 -1.45 -0.03 0.00 -0.11 0.00 0.00 43.42 42.27 2k5h n LEU 95 CO 0.55 -1.62 0.68 -1.61 -1.51 0.00 0.00 177.39 173.88 2k5h s GLU 96 N -3.13 4.49 -0.54 3.23 0.41 -1.26 -5.01 118.70 116.90 2k5h s GLU 96 Ca 0.78 1.34 -0.19 0.00 -0.41 0.00 0.00 54.97 56.49 2k5h s GLU 96 Cb -0.38 -3.49 0.07 0.00 -1.78 0.00 0.00 34.13 28.55 2k5h s GLU 96 CO 0.45 -0.13 0.65 -2.00 -0.49 0.00 0.00 175.26 173.74 2k5h s GLU 97 N 1.35 3.09 -0.08 1.61 2.12 -1.26 -5.05 118.70 120.48 2k5h s GLU 97 Ca 0.49 -1.04 -0.03 0.00 0.36 0.00 0.00 54.97 54.74 2k5h s GLU 97 Cb -0.20 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.00 2k5h s GLU 97 CO 0.23 -1.33 0.07 1.14 -0.54 0.00 0.00 175.26 174.83 2k5h s GLN 98 N 2.65 3.16 -0.05 4.30 -2.07 -1.26 -4.99 119.66 121.40 2k5h s GLN 98 Ca 0.14 -0.33 0.08 0.00 -1.82 0.00 0.00 55.36 53.43 2k5h s GLN 98 Cb -0.21 -2.95 0.12 0.00 -1.09 0.00 0.00 33.01 28.89 2k5h s GLN 98 CO 0.10 0.72 1.04 1.63 -1.32 0.00 0.00 175.29 177.46 2k5h n LYS 99 N 1.87 2.05 0.00 9.60 5.02 -1.26 -4.97 118.16 130.47 2k5h n LYS 99 Ca -0.18 -1.89 0.00 0.00 -2.02 0.00 0.00 58.31 54.22 2k5h n LYS 99 Cb 0.54 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 2k5h n LYS 99 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5h n GLY 100 N -0.85 2.84 0.31 0.72 0.00 -1.26 -5.39 105.19 101.56 2k5h n GLY 100 Ca 0.07 -0.40 0.15 0.00 0.00 0.00 0.00 46.02 45.84 2k5h n GLY 100 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76