#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyb h LYS 2 N 0.00 0.00 -4.53 0.03 1.57 -1.97 -3.44 116.57 108.23 2kyb h LYS 2 Ca 0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 2kyb h LYS 2 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.16 2kyb h LYS 2 CO 0.00 0.07 -0.69 0.95 -0.57 0.00 0.00 179.45 179.21 2kyb s THR 3 N -4.21 0.54 0.05 -0.16 -4.23 -1.26 -3.05 115.64 103.32 2kyb s THR 3 Ca -0.03 -1.90 0.01 0.00 -1.18 0.00 0.00 61.69 58.58 2kyb s THR 3 Cb 0.13 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.26 2kyb s THR 3 CO 0.54 -0.87 -0.05 -0.83 -0.54 0.00 0.00 174.62 172.87 2kyb s GLY 4 N -3.02 0.50 -0.11 3.99 0.00 -1.25 -5.00 107.32 102.43 2kyb s GLY 4 Ca 0.12 -1.01 -0.10 0.00 0.00 0.00 0.00 44.72 43.73 2kyb s GLY 4 CO -0.06 -1.09 0.21 -0.26 0.00 0.00 0.00 173.10 171.90 2kyb s ILE 5 N -2.72 5.38 0.24 0.90 -4.36 -1.26 -4.29 121.20 115.09 2kyb s ILE 5 Ca -0.01 0.37 -0.24 0.00 -0.26 0.00 0.00 60.65 60.51 2kyb s ILE 5 Cb -0.01 -3.50 -0.09 0.00 1.25 0.00 0.00 42.46 40.12 2kyb s ILE 5 CO -0.04 0.56 0.83 -0.69 0.24 0.00 0.00 174.94 175.83 2kyb s VAL 6 N -0.64 4.36 0.00 8.37 1.01 -1.26 -4.68 120.40 127.56 2kyb s VAL 6 Ca 0.16 1.63 0.00 0.00 0.00 0.00 0.00 61.98 63.77 2kyb s VAL 6 Cb -0.13 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2kyb s VAL 6 CO 0.05 0.29 0.00 -3.20 0.00 0.00 0.00 175.10 172.24 2kyb n ASN 7 N 0.95 0.00 0.04 3.32 5.15 -1.24 -2.98 115.26 120.49 2kyb n ASN 7 Ca -0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.96 2kyb n ASN 7 Cb 0.50 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 2kyb n ASN 7 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2kyb n VAL 8 N 0.00 0.00 -2.70 3.44 0.31 -1.26 -4.81 118.33 113.30 2kyb n VAL 8 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2kyb n VAL 8 Cb 0.00 -0.42 0.03 0.00 -0.91 0.00 0.00 33.84 32.54 2kyb n VAL 8 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2kyb n SER 9 N -2.72 -2.16 -3.79 4.52 2.88 -1.26 -3.99 113.62 107.10 2kyb n SER 9 Ca 0.00 -1.85 -0.07 0.00 -1.33 0.00 0.00 58.87 55.62 2kyb n SER 9 Cb 0.00 1.13 -0.02 0.00 -0.75 0.00 0.00 64.21 64.57 2kyb n SER 9 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2kyb s SER 10 N 0.54 -0.30 -0.09 -3.46 0.01 -1.26 -4.91 113.70 104.22 2kyb s SER 10 Ca 0.27 -0.50 -0.19 0.00 1.31 0.00 0.00 55.95 56.83 2kyb s SER 10 Cb 0.11 0.69 -0.04 0.00 0.21 0.00 0.00 66.02 66.99 2kyb s SER 10 CO -0.10 -1.26 0.54 -0.55 0.41 0.00 0.00 173.24 172.28 2kyb s SER 11 N -2.89 6.79 0.32 2.44 0.15 -1.26 -2.02 113.70 117.22 2kyb s SER 11 Ca 0.10 0.94 0.06 0.00 0.70 0.00 0.00 55.95 57.75 2kyb s SER 11 Cb -0.05 -2.32 -0.01 0.00 -1.71 0.00 0.00 66.02 61.92 2kyb s SER 11 CO 0.04 -0.01 0.42 -0.76 1.20 0.00 0.00 173.24 174.14 2kyb s LEU 12 N 0.53 3.97 -0.29 3.45 1.02 -1.17 -4.99 118.68 121.20 2kyb s LEU 12 Ca 0.29 -0.19 -0.17 0.00 0.02 0.00 0.00 54.13 54.07 2kyb s LEU 12 Cb -0.16 -2.69 -0.02 0.00 0.02 0.00 0.00 46.19 43.34 2kyb s LEU 12 CO 0.13 -0.36 0.49 0.20 0.02 0.00 0.00 176.35 176.83 2kyb s ASN 13 N -4.12 6.36 -0.43 2.29 0.01 -1.26 -3.88 114.94 113.91 2kyb s ASN 13 Ca 0.43 0.29 -0.13 0.00 -0.71 0.00 0.00 52.86 52.73 2kyb s ASN 13 Cb -0.09 -2.26 0.05 0.00 0.41 0.00 0.00 41.25 39.36 2kyb s ASN 13 CO 0.30 -0.34 0.31 -0.69 -1.51 0.00 0.00 177.10 175.17 2kyb s VAL 14 N 2.30 4.96 0.30 1.60 1.01 -1.26 -4.67 120.40 124.64 2kyb s VAL 14 Ca 0.19 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 2kyb s VAL 14 Cb -0.16 -3.87 0.07 0.00 0.00 0.00 0.00 36.38 32.42 2kyb s VAL 14 CO 0.11 -0.42 0.41 0.54 0.00 0.00 0.00 175.10 175.74 2kyb n ARG 15 N 5.11 -0.26 0.01 2.72 1.74 -1.21 -2.03 116.66 122.73 2kyb n ARG 15 Ca -0.12 -0.70 0.04 0.00 -0.77 0.00 0.00 57.85 56.30 2kyb n ARG 15 Cb 0.45 -0.40 -0.11 0.00 -1.02 0.00 0.00 32.46 31.38 2kyb n ARG 15 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2kyb n SER 16 N -3.22 0.42 0.00 0.55 2.88 -1.26 -3.87 113.62 109.12 2kyb n SER 16 Ca 0.05 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 2kyb n SER 16 Cb 0.19 0.96 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 2kyb n SER 16 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kyb n SER 17 N -2.62 0.00 -1.31 -3.46 2.88 -1.26 -4.89 113.62 102.96 2kyb n SER 17 Ca -0.11 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.39 2kyb n SER 17 Cb 0.76 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 64.24 2kyb n SER 17 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kyb n ALA 18 N 0.00 -0.33 -3.88 -1.46 0.00 -1.26 -5.06 120.51 108.51 2kyb n ALA 18 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 2kyb n ALA 18 Cb 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 19.45 18.12 2kyb n ALA 18 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2kyb s SER 19 N -3.17 2.49 0.46 0.00 0.01 -1.26 -5.01 113.70 107.22 2kyb s SER 19 Ca 0.05 -0.49 0.17 0.00 1.31 0.00 0.00 55.95 56.99 2kyb s SER 19 Cb -0.02 -0.84 1.06 0.00 0.21 0.00 0.00 66.02 66.42 2kyb s SER 19 CO 0.14 -0.16 2.00 0.74 0.41 0.00 0.00 173.24 176.37 2kyb h THR 20 N 6.30 1.04 0.00 1.44 2.02 -1.97 -1.47 112.91 120.27 2kyb h THR 20 Ca -0.26 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 2kyb h THR 20 Cb 1.12 1.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2kyb h THR 20 CO 0.39 0.18 -0.10 0.28 0.37 0.00 0.00 175.52 176.64 2kyb h SER 21 N 0.00 0.00 -0.28 4.18 0.02 -2.04 -2.77 113.55 112.65 2kyb h SER 21 Ca -0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2kyb h SER 21 Cb 0.35 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 2kyb h SER 21 CO 0.02 0.10 -0.44 -1.28 -1.14 0.00 0.00 176.83 174.10 2kyb h SER 22 N 0.00 0.91 -4.02 3.07 0.87 -1.69 -3.50 113.55 109.20 2kyb h SER 22 Ca -0.00 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 2kyb h SER 22 Cb 0.50 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2kyb h SER 22 CO 0.01 1.22 0.00 1.17 -0.53 0.00 0.00 176.83 178.70 2kyb n LYS 23 N -4.03 0.00 -2.73 2.24 4.81 -1.05 -4.70 118.16 112.70 2kyb n LYS 23 Ca -0.03 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 2kyb n LYS 23 Cb 0.57 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.58 2kyb n LYS 23 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2kyb s VAL 24 N -0.06 4.22 -0.18 3.15 1.01 -1.26 -4.31 120.40 122.96 2kyb s VAL 24 Ca 0.00 0.50 0.22 0.00 0.00 0.00 0.00 61.98 62.70 2kyb s VAL 24 Cb 0.00 -4.63 -0.14 0.00 0.00 0.00 0.00 36.38 31.61 2kyb s VAL 24 CO 0.00 -1.24 0.83 2.30 0.00 0.00 0.00 175.10 176.99 2kyb n ILE 25 N 6.37 0.35 -3.13 2.22 -5.35 -0.86 -5.00 119.36 113.96 2kyb n ILE 25 Ca 0.04 -0.51 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2kyb n ILE 25 Cb 0.48 -0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.21 2kyb n ILE 25 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kyb n GLY 26 N 1.22 4.17 3.64 3.28 0.00 -1.22 -5.08 105.19 111.21 2kyb n GLY 26 Ca -0.01 -1.34 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 2kyb n GLY 26 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kyb s SER 27 N 0.37 -0.90 0.15 1.61 0.15 -1.26 -4.11 113.70 109.70 2kyb s SER 27 Ca 0.00 1.45 0.06 0.00 0.70 0.00 0.00 55.95 58.17 2kyb s SER 27 Cb 0.00 1.37 -0.04 0.00 -1.71 0.00 0.00 66.02 65.64 2kyb s SER 27 CO 0.00 -0.23 0.02 -0.22 1.20 0.00 0.00 173.24 174.01 2kyb s LEU 28 N 1.58 3.42 0.22 3.45 2.96 -1.25 -5.00 118.68 124.07 2kyb s LEU 28 Ca -0.10 -0.29 -0.09 0.00 -0.22 0.00 0.00 54.13 53.43 2kyb s LEU 28 Cb -0.05 -2.10 -0.07 0.00 0.50 0.00 0.00 46.19 44.48 2kyb s LEU 28 CO -0.19 0.11 0.53 -0.44 -1.32 0.00 0.00 176.35 175.04 2kyb s SER 29 N -2.78 6.61 0.46 3.68 0.01 -1.26 -3.04 113.70 117.39 2kyb s SER 29 Ca 0.27 0.89 -0.21 0.00 1.31 0.00 0.00 55.95 58.21 2kyb s SER 29 Cb -0.10 -2.21 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 2kyb s SER 29 CO 0.19 -0.06 1.05 -0.83 0.41 0.00 0.00 173.24 174.00 2kyb s GLY 30 N -2.36 2.59 -1.02 3.44 0.00 -0.85 -3.67 107.32 105.45 2kyb s GLY 30 Ca 0.47 0.65 -0.06 0.00 0.00 0.00 0.00 44.72 45.78 2kyb s GLY 30 CO 0.21 1.01 0.89 -2.01 0.00 0.00 0.00 173.10 173.20 2kyb n ASN 31 N -0.69 -4.99 -4.52 1.64 2.85 -1.16 -4.76 115.26 103.63 2kyb n ASN 31 Ca 0.08 -0.42 -0.35 0.00 -0.11 0.00 0.00 54.58 53.79 2kyb n ASN 31 Cb 0.51 -3.95 -0.12 0.00 1.24 0.00 0.00 39.78 37.47 2kyb n ASN 31 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2kyb s THR 32 N -3.25 4.23 0.41 -0.44 2.01 -1.24 -4.86 115.64 112.50 2kyb s THR 32 Ca 0.40 -0.23 -0.23 0.00 0.31 0.00 0.00 61.69 61.94 2kyb s THR 32 Cb -0.18 -2.90 -0.09 0.00 0.01 0.00 0.00 72.50 69.34 2kyb s THR 32 CO 0.55 0.45 1.02 -0.54 -0.69 0.00 0.00 174.62 175.41 2kyb s LYS 33 N 0.67 4.18 -0.08 4.92 1.02 -1.26 -4.32 119.74 124.88 2kyb s LYS 33 Ca 0.01 1.40 -0.26 0.00 0.02 0.00 0.00 55.97 57.13 2kyb s LYS 33 Cb -0.14 -2.45 0.06 0.00 -0.52 0.00 0.00 37.83 34.78 2kyb s LYS 33 CO 0.02 -0.11 0.59 0.54 -0.92 0.00 0.00 175.35 175.47 2kyb s VAL 34 N -1.79 0.01 -1.12 3.17 0.11 -1.26 -5.04 120.40 114.48 2kyb s VAL 34 Ca 0.59 -0.10 -0.17 0.00 -2.93 0.00 0.00 61.98 59.36 2kyb s VAL 34 Cb -0.18 -0.89 0.12 0.00 -1.53 0.00 0.00 36.38 33.89 2kyb s VAL 34 CO 0.23 -0.05 1.42 0.42 -3.33 0.00 0.00 175.10 173.79 2kyb s THR 35 N -0.93 4.58 1.10 5.04 -4.23 -1.26 -3.91 115.64 116.04 2kyb s THR 35 Ca -0.09 -1.91 -0.19 0.00 -1.18 0.00 0.00 61.69 58.31 2kyb s THR 35 Cb -0.02 -4.96 0.09 0.00 1.34 0.00 0.00 72.50 68.95 2kyb s THR 35 CO 0.07 -1.73 -0.11 -0.38 -0.54 0.00 0.00 174.62 171.94 2kyb n ILE 36 N 5.58 0.00 0.00 2.99 5.41 -1.17 -4.90 119.36 127.27 2kyb n ILE 36 Ca 0.35 -0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.88 2kyb n ILE 36 Cb 0.46 -0.53 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 2kyb n ILE 36 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2kyb n VAL 37 N -4.37 0.00 -4.11 1.39 0.31 -1.26 -5.00 118.33 105.29 2kyb n VAL 37 Ca 0.01 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.26 2kyb n VAL 37 Cb 0.59 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 2kyb n VAL 37 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kyb n GLY 38 N 0.18 3.87 3.20 2.92 0.00 -1.26 -5.10 105.19 109.00 2kyb n GLY 38 Ca 0.00 -2.25 -0.35 0.00 0.00 0.00 0.00 46.02 43.42 2kyb n GLY 38 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kyb s GLU 39 N -2.51 2.61 -0.60 1.61 -1.05 -1.26 -4.54 118.70 112.97 2kyb s GLU 39 Ca 0.01 -1.14 -0.11 0.00 -0.15 0.00 0.00 54.97 53.58 2kyb s GLU 39 Cb -0.00 -3.17 0.15 0.00 -0.44 0.00 0.00 34.13 30.67 2kyb s GLU 39 CO 0.01 -0.55 0.50 -2.00 0.95 0.00 0.00 175.26 174.17 2kyb s GLU 40 N 1.31 2.90 -0.71 -4.83 -6.30 0.82 -4.77 118.70 107.11 2kyb s GLU 40 Ca -0.03 -2.02 -0.12 0.00 -2.50 0.00 0.00 54.97 50.30 2kyb s GLU 40 Cb -0.19 -4.12 0.02 0.00 0.00 0.00 0.00 34.13 29.84 2kyb s GLU 40 CO -0.01 -1.25 0.23 0.41 0.02 0.00 0.00 175.26 174.65 2kyb n GLY 41 N 4.59 -0.30 2.06 -1.50 0.00 -1.26 0.17 105.19 108.96 2kyb n GLY 41 Ca -0.02 0.15 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 2kyb n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kyb n ALA 42 N -3.06 -0.11 -3.03 4.61 0.00 -1.26 -5.05 120.51 112.60 2kyb n ALA 42 Ca -0.10 0.03 -0.11 0.00 0.00 0.00 0.00 53.44 53.26 2kyb n ALA 42 Cb 0.32 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.90 2kyb n ALA 42 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kyb s PHE 43 N -2.22 -0.22 0.16 0.00 0.08 0.45 -3.64 117.98 112.58 2kyb s PHE 43 Ca 0.00 -0.06 -0.05 0.00 0.12 0.00 0.00 56.93 56.95 2kyb s PHE 43 Cb -0.00 0.27 -0.02 0.00 -0.57 0.00 0.00 43.02 42.69 2kyb s PHE 43 CO 0.01 -0.69 0.18 1.52 -0.10 0.00 0.00 175.22 176.14 2kyb s TYR 44 N -3.65 0.66 0.46 0.36 1.13 -1.24 0.29 117.35 115.36 2kyb s TYR 44 Ca 0.02 -1.02 -0.05 0.00 -1.41 0.00 0.00 57.07 54.61 2kyb s TYR 44 Cb 0.01 -0.27 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 2kyb s TYR 44 CO -0.11 -0.64 0.75 0.15 -2.51 0.00 0.00 175.55 173.19 2kyb s LYS 45 N -4.02 3.55 0.04 -3.49 1.02 -1.26 -3.86 119.74 111.72 2kyb s LYS 45 Ca 0.22 0.15 -0.10 0.00 0.02 0.00 0.00 55.97 56.26 2kyb s LYS 45 Cb 0.05 -2.42 0.01 0.00 -0.52 0.00 0.00 37.83 34.95 2kyb s LYS 45 CO 0.02 -0.14 0.21 0.96 -0.92 0.00 0.00 175.35 175.48 2kyb s ILE 46 N -2.65 0.10 -0.81 2.17 -4.36 -1.21 -4.59 121.20 109.86 2kyb s ILE 46 Ca 0.47 -0.85 -0.03 0.00 -0.26 0.00 0.00 60.65 59.98 2kyb s ILE 46 Cb -0.10 -0.88 0.20 0.00 1.25 0.00 0.00 42.46 42.93 2kyb s ILE 46 CO 0.43 -0.47 0.67 -1.61 0.24 0.00 0.00 174.94 174.20 2kyb s GLU 47 N -2.46 3.08 -0.05 0.37 2.02 -1.26 -3.86 118.70 116.54 2kyb s GLU 47 Ca -0.06 -2.98 0.06 0.00 0.02 0.00 0.00 54.97 52.01 2kyb s GLU 47 Cb -0.02 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.27 2kyb s GLU 47 CO -0.03 -1.24 -0.25 -0.47 0.02 0.00 0.00 175.26 173.30 2kyb s TYR 48 N -0.83 2.42 -0.71 1.61 5.04 -1.03 -4.66 117.35 119.19 2kyb s TYR 48 Ca 0.23 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.27 2kyb s TYR 48 Cb -0.12 -1.57 0.00 0.00 0.35 0.00 0.00 41.96 40.62 2kyb s TYR 48 CO -0.09 -0.14 0.00 1.63 -1.34 0.00 0.00 175.55 175.61 2kyb n LYS 49 N 2.75 -2.17 -1.67 4.97 5.02 -1.26 0.12 118.16 125.93 2kyb n LYS 49 Ca -0.17 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2kyb n LYS 49 Cb 0.52 -4.86 -0.04 0.00 -0.02 0.00 0.00 35.03 30.63 2kyb n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kyb n GLY 50 N -0.56 0.88 3.39 0.72 0.00 -1.26 -4.99 105.19 103.38 2kyb n GLY 50 Ca -0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 46.02 45.35 2kyb n GLY 50 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kyb s SER 51 N -2.71 2.30 0.23 1.61 1.04 0.33 -5.13 113.70 111.37 2kyb s SER 51 Ca 0.00 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.16 2kyb s SER 51 Cb 0.00 -0.08 -0.05 0.00 0.10 0.00 0.00 66.02 65.99 2kyb s SER 51 CO 0.00 -0.46 0.47 -1.00 0.98 0.00 0.00 173.24 173.23 2kyb s HIS 52 N -3.23 3.48 0.23 5.02 3.76 -1.26 -2.46 115.29 120.82 2kyb s HIS 52 Ca 0.30 0.53 -0.20 0.00 -0.15 0.00 0.00 55.06 55.55 2kyb s HIS 52 Cb 0.05 -2.01 0.03 0.00 1.11 0.00 0.00 32.58 31.77 2kyb s HIS 52 CO 0.11 0.29 0.62 0.20 -0.85 0.00 0.00 174.74 175.11 2kyb s GLY 53 N -3.01 -0.15 0.01 -2.22 0.00 -1.25 -4.98 107.32 95.72 2kyb s GLY 53 Ca 0.42 -0.16 0.03 0.00 0.00 0.00 0.00 44.72 45.01 2kyb s GLY 53 CO 0.28 -0.13 -0.09 -0.19 0.00 0.00 0.00 173.10 172.97 2kyb s TYR 54 N -3.88 0.81 -0.03 1.90 1.51 -1.25 -3.30 117.35 113.11 2kyb s TYR 54 Ca 0.09 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.82 2kyb s TYR 54 Cb -0.03 -0.51 0.02 0.00 -0.11 0.00 0.00 41.96 41.33 2kyb s TYR 54 CO 0.00 -0.01 0.26 0.14 -1.11 0.00 0.00 175.55 174.82 2kyb s VAL 55 N -0.44 0.05 0.39 0.71 -7.23 -1.25 -3.32 120.40 109.31 2kyb s VAL 55 Ca 0.01 -0.41 -0.26 0.00 -1.81 0.00 0.00 61.98 59.52 2kyb s VAL 55 Cb -0.05 -0.51 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 2kyb s VAL 55 CO 0.00 -0.22 1.20 0.00 -0.31 0.00 0.00 175.10 175.76 2kyb s ALA 56 N -0.95 3.22 -0.02 1.32 0.00 -1.26 -3.62 121.76 120.45 2kyb s ALA 56 Ca -0.10 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.94 2kyb s ALA 56 Cb -0.05 -3.40 -0.24 0.00 0.00 0.00 0.00 23.12 19.42 2kyb s ALA 56 CO 0.02 -0.56 0.76 0.87 0.00 0.00 0.00 175.76 176.85 2kyb h LYS 57 N 2.79 0.10 -1.00 0.00 1.57 -1.96 -3.35 116.57 114.72 2kyb h LYS 57 Ca -0.49 -0.17 0.16 0.00 -1.87 0.00 0.00 60.65 58.29 2kyb h LYS 57 Cb 1.23 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 33.51 2kyb h LYS 57 CO 0.63 0.82 0.62 1.49 -0.57 0.00 0.00 179.45 182.44 2kyb h GLU 58 N 0.03 0.82 -0.59 3.15 4.81 -1.92 0.21 114.58 121.08 2kyb h GLU 58 Ca -0.26 -0.05 0.17 0.00 -0.13 0.00 0.00 59.36 59.10 2kyb h GLU 58 Cb 1.98 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 31.15 2kyb h GLU 58 CO 0.11 0.54 0.71 1.88 -0.73 0.00 0.00 179.01 181.52 2kyb h TYR 59 N 0.84 0.00 -0.00 0.92 -1.99 -1.99 -3.50 116.97 111.25 2kyb h TYR 59 Ca 0.54 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.27 2kyb h TYR 59 Cb 0.75 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.48 2kyb h TYR 59 CO -0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 178.16 177.27