#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyb s LYS 2 N 0.00 0.72 0.04 3.17 1.02 -1.26 -5.16 119.74 118.27 2kyb s LYS 2 Ca 0.00 -1.01 0.08 0.00 0.02 0.00 0.00 55.97 55.06 2kyb s LYS 2 Cb 0.00 -0.43 -0.03 0.00 -0.52 0.00 0.00 37.83 36.86 2kyb s LYS 2 CO 0.00 0.07 -0.23 0.95 -0.92 0.00 0.00 175.35 175.22 2kyb s THR 3 N -2.10 1.82 0.17 2.17 -4.23 -1.26 -4.59 115.64 107.62 2kyb s THR 3 Ca -0.00 -1.25 -0.03 0.00 -1.18 0.00 0.00 61.69 59.22 2kyb s THR 3 Cb -0.05 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.17 2kyb s THR 3 CO -0.00 0.26 0.40 -0.83 -0.54 0.00 0.00 174.62 173.90 2kyb s GLY 4 N -1.18 2.07 -0.22 3.99 0.00 -1.26 -5.03 107.32 105.69 2kyb s GLY 4 Ca 0.09 -0.64 -0.08 0.00 0.00 0.00 0.00 44.72 44.08 2kyb s GLY 4 CO 0.02 -0.57 0.09 -0.42 0.00 0.00 0.00 173.10 172.22 2kyb s ILE 5 N -1.76 4.77 -0.05 0.90 1.09 -1.26 -4.46 121.20 120.43 2kyb s ILE 5 Ca 0.40 -0.03 -0.30 0.00 -1.10 0.00 0.00 60.65 59.63 2kyb s ILE 5 Cb -0.12 -3.20 -0.06 0.00 -1.06 0.00 0.00 42.46 38.03 2kyb s ILE 5 CO 0.26 0.38 1.66 -0.69 -0.10 0.00 0.00 174.94 176.46 2kyb s VAL 6 N 1.03 3.55 -0.44 2.92 1.01 -1.26 -4.89 120.40 122.33 2kyb s VAL 6 Ca 0.05 0.68 -0.27 0.00 0.00 0.00 0.00 61.98 62.44 2kyb s VAL 6 Cb -0.14 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 2kyb s VAL 6 CO 0.03 -0.06 2.38 -0.46 0.00 0.00 0.00 175.10 177.00 2kyb n ASN 7 N 7.12 2.50 0.00 3.32 6.94 -1.26 -3.79 115.26 130.09 2kyb n ASN 7 Ca 0.17 -0.35 0.03 0.00 -0.02 0.00 0.00 54.58 54.42 2kyb n ASN 7 Cb 0.43 -1.57 0.18 0.00 -2.36 0.00 0.00 39.78 36.46 2kyb n ASN 7 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 2kyb n VAL 8 N 7.94 0.45 -0.17 3.53 3.14 -1.26 -3.53 118.33 128.43 2kyb n VAL 8 Ca 0.36 0.11 -0.09 0.00 -2.96 0.00 0.00 64.34 61.76 2kyb n VAL 8 Cb 0.52 -1.01 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 2kyb n VAL 8 CO 0.00 0.00 0.00 0.28 -6.46 0.00 0.00 176.83 170.65 2kyb h SER 9 N 0.00 -1.47 -5.52 6.55 0.02 -2.01 -3.45 113.55 107.66 2kyb h SER 9 Ca 0.00 0.23 -0.28 0.00 -0.84 0.00 0.00 61.79 60.90 2kyb h SER 9 Cb 0.03 0.66 -0.07 0.00 0.14 0.00 0.00 62.40 63.16 2kyb h SER 9 CO 0.00 -0.35 -0.16 -0.44 -1.14 0.00 0.00 176.83 174.74 2kyb s SER 10 N -5.12 0.98 0.16 3.07 0.01 -1.23 -5.15 113.70 106.42 2kyb s SER 10 Ca -0.14 -1.52 -0.24 0.00 1.31 0.00 0.00 55.95 55.36 2kyb s SER 10 Cb 0.12 0.69 -0.08 0.00 0.21 0.00 0.00 66.02 66.96 2kyb s SER 10 CO 0.66 -1.34 0.75 -0.55 0.41 0.00 0.00 173.24 173.16 2kyb s SER 11 N -3.25 7.33 -0.05 2.44 0.15 -1.26 -4.93 113.70 114.14 2kyb s SER 11 Ca 0.30 1.59 0.02 0.00 0.70 0.00 0.00 55.95 58.56 2kyb s SER 11 Cb -0.01 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.79 2kyb s SER 11 CO 0.21 0.21 -0.09 -0.76 1.20 0.00 0.00 173.24 174.01 2kyb s LEU 12 N -1.20 3.04 -0.10 3.45 2.01 -1.26 -5.10 118.68 119.53 2kyb s LEU 12 Ca 0.35 -0.09 -0.27 0.00 0.01 0.00 0.00 54.13 54.13 2kyb s LEU 12 Cb -0.22 -1.67 -0.02 0.00 0.01 0.00 0.00 46.19 44.29 2kyb s LEU 12 CO 0.25 0.35 0.89 0.20 1.01 0.00 0.00 176.35 179.04 2kyb s ASN 13 N -0.88 7.13 -0.22 2.29 0.01 -1.26 -4.69 114.94 117.31 2kyb s ASN 13 Ca 0.13 1.38 -0.09 0.00 -0.71 0.00 0.00 52.86 53.57 2kyb s ASN 13 Cb -0.11 -2.50 -0.04 0.00 0.41 0.00 0.00 41.25 39.01 2kyb s ASN 13 CO 0.02 -0.33 0.12 -0.69 -1.51 0.00 0.00 177.10 174.71 2kyb s VAL 14 N 1.61 5.02 0.76 1.60 1.01 -1.18 -4.76 120.40 124.46 2kyb s VAL 14 Ca 0.44 0.06 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 2kyb s VAL 14 Cb -0.18 -3.32 0.15 0.00 0.00 0.00 0.00 36.38 33.03 2kyb s VAL 14 CO 0.18 0.38 1.04 -0.13 0.00 0.00 0.00 175.10 176.57 2kyb s ARG 15 N 0.92 1.48 0.08 2.72 0.52 -0.75 -1.60 118.95 122.32 2kyb s ARG 15 Ca 0.06 -1.21 0.20 0.00 -0.52 0.00 0.00 55.73 54.26 2kyb s ARG 15 Cb -0.13 -2.30 -0.13 0.00 0.52 0.00 0.00 34.95 32.90 2kyb s ARG 15 CO 0.03 -1.61 0.80 0.43 0.02 0.00 0.00 175.30 174.97 2kyb n SER 16 N -2.93 0.64 -3.32 0.23 7.64 -1.26 -3.18 113.62 111.43 2kyb n SER 16 Ca 0.17 0.26 0.02 0.00 1.01 0.00 0.00 58.87 60.33 2kyb n SER 16 Cb 0.61 0.68 0.01 0.00 -1.01 0.00 0.00 64.21 64.50 2kyb n SER 16 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2kyb n SER 17 N -2.67 -0.99 -4.55 6.43 3.41 -1.26 -4.84 113.62 109.15 2kyb n SER 17 Ca -0.06 -1.21 -0.43 0.00 -0.26 0.00 0.00 58.87 56.91 2kyb n SER 17 Cb 0.69 1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 66.17 2kyb n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kyb s ALA 18 N -1.83 3.33 -0.08 7.33 0.00 -1.26 -4.87 121.76 124.40 2kyb s ALA 18 Ca 0.25 -2.87 -0.30 0.00 0.00 0.00 0.00 51.96 49.04 2kyb s ALA 18 Cb -0.01 -4.51 0.11 0.00 0.00 0.00 0.00 23.12 18.72 2kyb s ALA 18 CO -0.00 -3.25 0.92 -1.54 0.00 0.00 0.00 175.76 171.88 2kyb s SER 19 N 4.09 -0.39 0.35 0.00 1.04 -1.26 -5.03 113.70 112.49 2kyb s SER 19 Ca 0.50 0.24 0.18 0.00 0.48 0.00 0.00 55.95 57.35 2kyb s SER 19 Cb 0.02 0.36 0.48 0.00 0.10 0.00 0.00 66.02 66.98 2kyb s SER 19 CO 0.03 -0.50 1.64 0.74 0.98 0.00 0.00 173.24 176.13 2kyb h THR 20 N 2.34 0.82 0.00 2.02 2.02 -2.07 -3.09 112.91 114.95 2kyb h THR 20 Ca -0.21 -1.73 -0.01 0.00 0.77 0.00 0.00 66.41 65.23 2kyb h THR 20 Cb 1.20 2.10 -0.00 0.00 -1.74 0.00 0.00 68.15 69.70 2kyb h THR 20 CO 0.32 0.39 -0.05 0.77 0.37 0.00 0.00 175.52 177.33 2kyb h SER 21 N 0.00 0.00 -2.86 4.18 4.64 -1.96 -3.41 113.55 114.15 2kyb h SER 21 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.68 2kyb h SER 21 Cb 1.06 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.10 2kyb h SER 21 CO 0.05 0.05 -0.36 -0.55 -0.87 0.00 0.00 176.83 175.15 2kyb s SER 22 N -5.81 6.56 -0.30 4.97 0.15 -1.17 -5.08 113.70 113.02 2kyb s SER 22 Ca -0.03 0.66 -0.04 0.00 0.70 0.00 0.00 55.95 57.24 2kyb s SER 22 Cb 0.13 -2.13 0.19 0.00 -1.71 0.00 0.00 66.02 62.49 2kyb s SER 22 CO 0.52 0.32 0.71 -0.75 1.20 0.00 0.00 173.24 175.24 2kyb s LYS 23 N -1.33 0.48 0.45 5.44 2.20 -1.26 -4.88 119.74 120.84 2kyb s LYS 23 Ca 0.23 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 2kyb s LYS 23 Cb -0.14 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.65 2kyb s LYS 23 CO 0.11 -0.52 0.00 0.28 -0.36 0.00 0.00 175.35 174.86 2kyb n VAL 24 N 5.44 -5.35 -0.18 4.02 0.31 -1.26 -5.03 118.33 116.29 2kyb n VAL 24 Ca -0.02 2.42 0.00 0.00 -0.01 0.00 0.00 64.34 66.73 2kyb n VAL 24 Cb 0.52 -3.29 0.00 0.00 -0.91 0.00 0.00 33.84 30.16 2kyb n VAL 24 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2kyb n ILE 25 N -0.34 0.00 -3.84 2.52 -6.64 -0.63 -4.89 119.36 105.54 2kyb n ILE 25 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2kyb n ILE 25 Cb 0.00 0.11 0.00 0.00 -1.44 0.00 0.00 39.64 38.31 2kyb n ILE 25 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2kyb n GLY 26 N 0.00 -1.10 3.07 3.28 0.00 -1.25 -5.05 105.19 104.13 2kyb n GLY 26 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 2kyb n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kyb s SER 27 N -4.00 -0.18 -0.25 1.61 1.04 -1.26 -3.12 113.70 107.53 2kyb s SER 27 Ca 0.00 0.35 -0.09 0.00 0.48 0.00 0.00 55.95 56.68 2kyb s SER 27 Cb 0.00 0.37 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 2kyb s SER 27 CO 0.00 -0.08 0.13 -1.48 0.98 0.00 0.00 173.24 172.80 2kyb s LEU 28 N 0.03 3.85 0.08 2.42 0.05 -1.26 -5.04 118.68 118.81 2kyb s LEU 28 Ca -0.01 -0.03 -0.36 0.00 0.05 0.00 0.00 54.13 53.78 2kyb s LEU 28 Cb -0.02 -2.04 -0.18 0.00 -2.05 0.00 0.00 46.19 41.91 2kyb s LEU 28 CO 0.00 0.01 1.15 -1.20 -0.55 0.00 0.00 176.35 175.76 2kyb n SER 29 N 4.65 0.78 -4.68 1.48 7.64 -1.26 -4.91 113.62 117.31 2kyb n SER 29 Ca -0.15 1.14 -0.29 0.00 1.01 0.00 0.00 58.87 60.57 2kyb n SER 29 Cb 0.52 -1.08 0.16 0.00 -1.01 0.00 0.00 64.21 62.80 2kyb n SER 29 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kyb s GLY 30 N 0.10 1.61 -1.64 0.23 0.00 -1.26 -3.59 107.32 102.77 2kyb s GLY 30 Ca 0.83 -0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.48 2kyb s GLY 30 CO 0.52 0.46 0.00 0.70 0.00 0.00 0.00 173.10 174.78 2kyb n ASN 31 N -4.08 -4.87 -4.89 1.64 3.02 -1.25 -4.99 115.26 99.85 2kyb n ASN 31 Ca 0.07 0.36 -0.34 0.00 -0.03 0.00 0.00 54.58 54.64 2kyb n ASN 31 Cb 0.55 -3.77 -0.05 0.00 -0.61 0.00 0.00 39.78 35.90 2kyb n ASN 31 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kyb s THR 32 N -2.59 5.30 0.11 3.41 2.01 -1.24 -4.97 115.64 117.68 2kyb s THR 32 Ca 0.00 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 2kyb s THR 32 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 72.50 68.86 2kyb s THR 32 CO 0.00 0.32 0.69 -0.54 -0.69 0.00 0.00 174.62 174.40 2kyb s LYS 33 N -1.90 4.42 -0.06 4.92 1.02 -1.26 -4.41 119.74 122.46 2kyb s LYS 33 Ca 0.29 0.98 -0.02 0.00 0.02 0.00 0.00 55.97 57.23 2kyb s LYS 33 Cb -0.13 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 33.95 2kyb s LYS 33 CO 0.18 0.56 0.12 0.14 -0.92 0.00 0.00 175.35 175.43 2kyb s VAL 34 N -1.00 -0.14 -0.90 3.17 -7.23 -1.26 -5.01 120.40 108.03 2kyb s VAL 34 Ca 0.33 0.28 -0.19 0.00 -1.81 0.00 0.00 61.98 60.60 2kyb s VAL 34 Cb -0.21 -0.23 0.13 0.00 0.56 0.00 0.00 36.38 36.63 2kyb s VAL 34 CO 0.23 0.12 1.10 0.42 -0.31 0.00 0.00 175.10 176.65 2kyb s THR 35 N 1.71 4.74 0.35 5.32 -4.23 -1.26 -4.17 115.64 118.09 2kyb s THR 35 Ca -0.03 -1.53 -0.17 0.00 -1.18 0.00 0.00 61.69 58.78 2kyb s THR 35 Cb -0.12 -4.76 -0.13 0.00 1.34 0.00 0.00 72.50 68.83 2kyb s THR 35 CO -0.05 -1.48 0.05 -0.38 -0.54 0.00 0.00 174.62 172.22 2kyb n ILE 36 N 5.47 0.47 -3.15 2.99 -0.00 -1.26 -4.49 119.36 119.38 2kyb n ILE 36 Ca 0.21 -0.42 -0.18 0.00 -0.00 0.00 0.00 62.75 62.36 2kyb n ILE 36 Cb 0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 39.64 40.10 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 -0.90 -0.23 0.00 1.39 0.31 -0.95 -5.00 118.33 112.95 2kyb n VAL 37 Ca 0.09 -4.25 0.00 0.00 -0.01 0.00 0.00 64.34 60.17 2kyb n VAL 37 Cb 0.34 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.45 2.59 2.98 2.92 0.00 -1.26 -4.44 105.19 108.43 2kyb n GLY 38 Ca 0.23 -1.94 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 2kyb n GLY 38 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kyb s GLU 39 N -2.94 0.48 -0.15 1.61 2.02 -1.26 -3.54 118.70 114.92 2kyb s GLU 39 Ca 0.00 -0.25 -0.06 0.00 0.02 0.00 0.00 54.97 54.68 2kyb s GLU 39 Cb 0.00 -0.45 0.07 0.00 0.10 0.00 0.00 34.13 33.85 2kyb s GLU 39 CO 0.00 0.12 0.32 -2.00 0.02 0.00 0.00 175.26 173.73 2kyb s GLU 40 N -0.24 0.23 3.56 1.61 -6.30 0.10 -5.01 118.70 112.64 2kyb s GLU 40 Ca 0.01 0.82 0.00 0.00 -2.50 0.00 0.00 54.97 53.31 2kyb s GLU 40 Cb -0.03 0.08 0.00 0.00 0.00 0.00 0.00 34.13 34.18 2kyb s GLU 40 CO -0.00 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2kyb n GLY 41 N 5.16 2.30 0.97 -1.50 0.00 -1.26 -0.29 105.19 110.57 2kyb n GLY 41 Ca -0.10 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.31 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 10.09 3.81 -2.78 4.61 0.00 -1.26 -5.01 120.51 129.98 2kyb n ALA 42 Ca 0.00 -2.93 -0.10 0.00 0.00 0.00 0.00 53.44 50.41 2kyb n ALA 42 Cb 0.00 -0.67 -0.08 0.00 0.00 0.00 0.00 19.45 18.70 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 -3.13 0.08 0.24 0.00 0.08 0.60 -3.48 117.98 112.37 2kyb s PHE 43 Ca 0.43 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2kyb s PHE 43 Cb 0.38 -0.03 -0.04 0.00 -0.57 0.00 0.00 43.02 42.76 2kyb s PHE 43 CO 0.01 -0.47 0.19 1.52 -0.10 0.00 0.00 175.22 176.37 2kyb s TYR 44 N -2.95 1.30 0.10 0.36 1.13 -1.26 -0.72 117.35 115.31 2kyb s TYR 44 Ca -0.02 -1.44 0.02 0.00 -1.41 0.00 0.00 57.07 54.22 2kyb s TYR 44 Cb 0.01 -0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 40.25 2kyb s TYR 44 CO -0.06 -0.72 0.20 0.15 -2.51 0.00 0.00 175.55 172.61 2kyb s LYS 45 N -3.94 3.31 0.03 -3.49 1.02 -1.23 -4.36 119.74 111.07 2kyb s LYS 45 Ca 0.39 -0.56 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 2kyb s LYS 45 Cb 0.05 -2.94 -0.03 0.00 -0.52 0.00 0.00 37.83 34.40 2kyb s LYS 45 CO 0.16 0.57 -0.03 0.96 -0.92 0.00 0.00 175.35 176.09 2kyb s ILE 46 N -1.58 0.19 -0.69 2.17 -4.36 -1.25 -2.23 121.20 113.45 2kyb s ILE 46 Ca 0.34 -1.20 -0.01 0.00 -0.26 0.00 0.00 60.65 59.52 2kyb s ILE 46 Cb -0.12 -0.67 0.17 0.00 1.25 0.00 0.00 42.46 43.10 2kyb s ILE 46 CO 0.27 -0.64 0.51 -0.70 0.24 0.00 0.00 174.94 174.63 2kyb s GLU 47 N -2.20 2.68 0.05 0.37 -6.30 -1.26 -4.08 118.70 107.97 2kyb s GLU 47 Ca -0.09 -2.82 -0.01 0.00 -2.50 0.00 0.00 54.97 49.56 2kyb s GLU 47 Cb -0.05 -3.72 -0.04 0.00 0.00 0.00 0.00 34.13 30.33 2kyb s GLU 47 CO -0.03 -1.20 -0.03 -0.47 0.02 0.00 0.00 175.26 173.54 2kyb s TYR 48 N -0.56 0.51 -1.13 5.30 5.04 -0.97 -4.80 117.35 120.74 2kyb s TYR 48 Ca 0.20 -0.98 0.00 0.00 -2.44 0.00 0.00 57.07 53.86 2kyb s TYR 48 Cb -0.16 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.78 2kyb s TYR 48 CO -0.06 -0.33 0.00 1.63 -1.34 0.00 0.00 175.55 175.44 2kyb n LYS 49 N 0.33 -1.33 -0.53 4.97 5.02 -1.26 0.62 118.16 125.99 2kyb n LYS 49 Ca -0.15 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2kyb n LYS 49 Cb 0.60 -4.86 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 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 -0.25 0.96 3.73 0.72 0.00 -1.26 -4.94 105.19 104.15 2kyb n GLY 50 Ca -0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.62 2kyb n GLY 50 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kyb s SER 51 N -2.77 4.18 0.16 1.61 0.15 0.20 -5.12 113.70 112.11 2kyb s SER 51 Ca 0.00 -1.39 0.08 0.00 0.70 0.00 0.00 55.95 55.34 2kyb s SER 51 Cb 0.00 0.00 -0.04 0.00 -1.71 0.00 0.00 66.02 64.27 2kyb s SER 51 CO 0.00 -0.69 -0.05 -1.38 1.20 0.00 0.00 173.24 172.32 2kyb s HIS 52 N -2.75 2.76 0.16 3.44 -3.43 -1.26 -2.30 115.29 111.91 2kyb s HIS 52 Ca 0.26 -0.17 -0.06 0.00 -0.80 0.00 0.00 55.06 54.29 2kyb s HIS 52 Cb 0.04 -1.36 -0.02 0.00 -1.43 0.00 0.00 32.58 29.81 2kyb s HIS 52 CO 0.14 0.50 0.21 0.20 -2.00 0.00 0.00 174.74 173.79 2kyb s GLY 53 N -2.75 0.67 -0.01 -1.38 0.00 -1.26 -4.99 107.32 97.60 2kyb s GLY 53 Ca 0.25 -1.10 0.04 0.00 0.00 0.00 0.00 44.72 43.92 2kyb s GLY 53 CO 0.17 -1.01 -0.12 -0.19 0.00 0.00 0.00 173.10 171.94 2kyb s TYR 54 N -4.00 1.11 0.13 1.90 1.51 -1.19 -3.78 117.35 113.02 2kyb s TYR 54 Ca 0.20 -0.22 -0.23 0.00 -1.01 0.00 0.00 57.07 55.82 2kyb s TYR 54 Cb 0.05 -0.72 0.06 0.00 -0.11 0.00 0.00 41.96 41.24 2kyb s TYR 54 CO 0.01 -0.03 0.57 0.54 -1.11 0.00 0.00 175.55 175.54 2kyb s VAL 55 N -0.25 0.01 0.28 0.71 0.11 -1.26 -1.81 120.40 118.19 2kyb s VAL 55 Ca 0.04 -0.09 -0.30 0.00 -2.93 0.00 0.00 61.98 58.69 2kyb s VAL 55 Cb -0.05 -1.02 -0.12 0.00 -1.53 0.00 0.00 36.38 33.66 2kyb s VAL 55 CO -0.00 -0.05 1.62 0.00 -3.33 0.00 0.00 175.10 173.34 2kyb n ALA 56 N -0.20 2.60 -0.01 1.54 0.00 -1.26 -4.07 120.51 119.11 2kyb n ALA 56 Ca -0.17 0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.49 2kyb n ALA 56 Cb 0.64 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.47 2kyb n ALA 56 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2kyb n LYS 57 N 2.50 0.71 0.14 0.00 2.85 -1.23 -4.06 118.16 119.06 2kyb n LYS 57 Ca 0.10 0.26 0.16 0.00 -1.05 0.00 0.00 58.31 57.78 2kyb n LYS 57 Cb 0.36 -1.72 0.73 0.00 -0.65 0.00 0.00 35.03 33.74 2kyb n LYS 57 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 177.40 178.40 2kyb h GLU 58 N 0.04 0.00 -0.75 -1.58 4.11 -1.91 -0.53 114.58 113.97 2kyb h GLU 58 Ca -0.39 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.00 2kyb h GLU 58 Cb 2.03 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.25 2kyb h GLU 58 CO 0.08 0.00 0.29 1.88 0.07 0.00 0.00 179.01 181.32 2kyb h TYR 59 N 0.00 1.13 -0.00 2.06 -1.99 -1.98 -3.55 116.97 112.65 2kyb h TYR 59 Ca 0.13 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2kyb h TYR 59 Cb 0.58 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.97 2kyb h TYR 59 CO 0.00 0.87 0.00 -0.89 -0.00 0.00 0.00 178.16 178.14