#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kyb n LYS 2 N 0.00 0.87 -4.19 2.12 2.85 -1.26 -4.75 118.16 113.80 2kyb n LYS 2 Ca 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.10 2kyb n LYS 2 Cb 0.00 -1.18 -0.11 0.00 -0.65 0.00 0.00 35.03 33.09 2kyb n LYS 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2kyb s THR 3 N -0.23 1.06 0.08 0.58 -4.23 -1.26 -2.29 115.64 109.35 2kyb s THR 3 Ca 0.00 -1.64 -0.04 0.00 -1.18 0.00 0.00 61.69 58.83 2kyb s THR 3 Cb 0.00 -1.38 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 2kyb s THR 3 CO 0.00 -0.49 0.09 -0.83 -0.54 0.00 0.00 174.62 172.84 2kyb s GLY 4 N -2.39 0.41 -0.10 3.99 0.00 -1.26 -5.01 107.32 102.95 2kyb s GLY 4 Ca 0.06 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.76 2kyb s GLY 4 CO 0.01 -1.10 -0.06 -0.42 0.00 0.00 0.00 173.10 171.53 2kyb s ILE 5 N -3.92 3.77 -0.00 0.90 1.01 -1.26 -4.15 121.20 117.55 2kyb s ILE 5 Ca 0.10 -0.43 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 2kyb s ILE 5 Cb 0.06 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2kyb s ILE 5 CO -0.08 0.56 0.87 -0.69 0.00 0.00 0.00 174.94 175.60 2kyb s VAL 6 N -0.34 4.87 -0.23 2.92 1.01 -1.25 -4.71 120.40 122.67 2kyb s VAL 6 Ca 0.05 1.83 -0.28 0.00 0.00 0.00 0.00 61.98 63.58 2kyb s VAL 6 Cb -0.12 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2kyb s VAL 6 CO 0.02 0.23 2.23 0.20 0.00 0.00 0.00 175.10 177.78 2kyb s ASN 7 N 0.72 5.40 0.21 3.32 -0.87 -1.26 -1.94 114.94 120.51 2kyb s ASN 7 Ca 0.46 1.85 -0.30 0.00 -1.57 0.00 0.00 52.86 53.30 2kyb s ASN 7 Cb -0.20 -2.51 -0.10 0.00 -0.02 0.00 0.00 41.25 38.42 2kyb s ASN 7 CO 0.25 -2.01 1.46 0.54 -2.57 0.00 0.00 177.10 174.76 2kyb s VAL 8 N 8.51 2.75 0.14 1.60 0.11 -1.26 -4.68 120.40 127.58 2kyb s VAL 8 Ca 1.01 0.60 0.00 0.00 -2.93 0.00 0.00 61.98 60.66 2kyb s VAL 8 Cb -0.32 -3.38 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 2kyb s VAL 8 CO 0.35 0.08 0.00 -1.54 -3.33 0.00 0.00 175.10 170.66 2kyb n SER 9 N 2.90 -1.27 0.00 3.54 3.41 -1.26 -5.03 113.62 115.91 2kyb n SER 9 Ca 0.09 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2kyb n SER 9 Cb 0.40 1.43 0.00 0.00 -0.26 0.00 0.00 64.21 65.78 2kyb n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kyb n SER 10 N -2.84 0.00 -4.00 4.04 7.64 -1.26 -5.12 113.62 112.08 2kyb n SER 10 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2kyb n SER 10 Cb 0.00 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.06 2kyb n SER 10 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kyb s SER 11 N 1.44 0.79 -0.08 6.43 0.15 -1.26 -4.20 113.70 116.96 2kyb s SER 11 Ca 0.00 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 2kyb s SER 11 Cb 0.00 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2kyb s SER 11 CO 0.00 -0.00 0.12 -0.76 1.20 0.00 0.00 173.24 173.80 2kyb s LEU 12 N -0.57 4.23 -0.22 3.45 2.01 -0.25 -5.00 118.68 122.31 2kyb s LEU 12 Ca -0.01 0.37 -0.17 0.00 0.01 0.00 0.00 54.13 54.33 2kyb s LEU 12 Cb -0.05 -2.16 -0.03 0.00 0.01 0.00 0.00 46.19 43.96 2kyb s LEU 12 CO 0.00 0.36 0.46 0.20 1.01 0.00 0.00 176.35 178.39 2kyb s ASN 13 N -1.25 6.46 -0.35 2.29 0.01 -1.26 -1.27 114.94 119.57 2kyb s ASN 13 Ca 0.18 0.55 -0.16 0.00 -0.71 0.00 0.00 52.86 52.72 2kyb s ASN 13 Cb -0.12 -2.26 -0.01 0.00 0.41 0.00 0.00 41.25 39.27 2kyb s ASN 13 CO 0.07 -0.17 0.39 -0.69 -1.51 0.00 0.00 177.10 175.19 2kyb s VAL 14 N 1.72 5.14 0.72 1.60 1.01 -1.17 -4.71 120.40 124.71 2kyb s VAL 14 Ca 0.21 0.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 2kyb s VAL 14 Cb -0.15 -3.85 0.09 0.00 0.00 0.00 0.00 36.38 32.47 2kyb s VAL 14 CO 0.09 -0.13 1.01 -0.13 0.00 0.00 0.00 175.10 175.95 2kyb s ARG 15 N 2.07 1.89 0.03 2.72 0.52 0.03 -2.25 118.95 123.97 2kyb s ARG 15 Ca 0.13 -0.59 0.22 0.00 -0.52 0.00 0.00 55.73 54.97 2kyb s ARG 15 Cb -0.16 -2.22 -0.24 0.00 0.52 0.00 0.00 34.95 32.85 2kyb s ARG 15 CO 0.12 -1.38 0.65 -1.13 0.02 0.00 0.00 175.30 173.58 2kyb n SER 16 N -2.92 0.26 -0.36 0.23 3.41 -1.26 -0.71 113.62 112.27 2kyb n SER 16 Ca 0.11 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 2kyb n SER 16 Cb 0.60 1.55 0.00 0.00 -0.26 0.00 0.00 64.21 66.11 2kyb n SER 16 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2kyb n SER 17 N -2.30 0.00 -3.15 4.04 3.41 -1.26 -4.79 113.62 109.58 2kyb n SER 17 Ca -0.02 -0.36 -0.39 0.00 -0.26 0.00 0.00 58.87 57.83 2kyb n SER 17 Cb 0.55 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.53 2kyb n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kyb n ALA 18 N -3.00 6.27 -3.08 7.33 0.00 -1.26 -4.83 120.51 121.94 2kyb n ALA 18 Ca 0.00 -4.31 -0.14 0.00 0.00 0.00 0.00 53.44 48.99 2kyb n ALA 18 Cb 0.00 -1.97 -0.15 0.00 0.00 0.00 0.00 19.45 17.33 2kyb n ALA 18 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2kyb s SER 19 N -1.33 0.19 0.43 0.00 0.15 -1.26 -5.02 113.70 106.86 2kyb s SER 19 Ca 0.47 -0.02 0.20 0.00 0.70 0.00 0.00 55.95 57.30 2kyb s SER 19 Cb 0.35 -0.05 0.99 0.00 -1.71 0.00 0.00 66.02 65.60 2kyb s SER 19 CO -0.31 -0.02 1.90 0.00 1.20 0.00 0.00 173.24 176.02 2kyb h THR 20 N 5.42 0.90 0.00 6.45 1.03 -2.03 -1.72 112.91 122.97 2kyb h THR 20 Ca -0.30 -1.01 0.00 0.00 -0.01 0.00 0.00 66.41 65.08 2kyb h THR 20 Cb 1.18 1.60 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 2kyb h THR 20 CO 0.50 0.26 0.00 -1.20 -0.01 0.00 0.00 175.52 175.07 2kyb n SER 21 N -3.81 0.00 -4.69 0.00 7.64 -1.26 -4.80 113.62 106.70 2kyb n SER 21 Ca -0.01 0.16 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 2kyb n SER 21 Cb 0.36 -0.38 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 2kyb n SER 21 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kyb s SER 22 N -2.75 6.64 0.97 6.43 0.15 -0.65 -4.98 113.70 119.51 2kyb s SER 22 Ca 0.20 2.42 -0.12 0.00 0.70 0.00 0.00 55.95 59.15 2kyb s SER 22 Cb 0.17 -2.56 0.17 0.00 -1.71 0.00 0.00 66.02 62.09 2kyb s SER 22 CO 0.43 -0.86 1.09 -0.54 1.20 0.00 0.00 173.24 174.55 2kyb s LYS 23 N 2.65 0.68 -0.33 5.44 1.02 -1.26 -4.85 119.74 123.10 2kyb s LYS 23 Ca 0.72 0.79 -0.29 0.00 0.02 0.00 0.00 55.97 57.21 2kyb s LYS 23 Cb -0.38 -1.74 0.01 0.00 -0.52 0.00 0.00 37.83 35.19 2kyb s LYS 23 CO 0.31 -2.63 1.25 0.08 -0.92 0.00 0.00 175.35 173.45 2kyb s VAL 24 N -2.85 4.19 -0.33 3.17 1.01 -1.26 -4.24 120.40 120.09 2kyb s VAL 24 Ca 0.65 1.33 0.22 0.00 0.00 0.00 0.00 61.98 64.18 2kyb s VAL 24 Cb -0.19 -4.25 -0.21 0.00 0.00 0.00 0.00 36.38 31.72 2kyb s VAL 24 CO 0.58 -0.55 0.76 0.00 0.00 0.00 0.00 175.10 175.90 2kyb n ILE 25 N 6.28 0.14 -2.55 2.22 3.06 -0.95 -5.04 119.36 122.52 2kyb n ILE 25 Ca 0.14 -0.38 0.00 0.00 -2.50 0.00 0.00 62.75 60.01 2kyb n ILE 25 Cb 0.47 0.13 0.00 0.00 0.54 0.00 0.00 39.64 40.78 2kyb n ILE 25 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2kyb n GLY 26 N 1.31 2.06 3.58 4.50 0.00 -1.12 -5.05 105.19 110.47 2kyb n GLY 26 Ca -0.01 -0.75 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 2kyb n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kyb s SER 27 N 1.37 -0.84 0.08 1.61 0.01 -1.26 -3.07 113.70 111.60 2kyb s SER 27 Ca 0.00 1.41 0.05 0.00 1.31 0.00 0.00 55.95 58.72 2kyb s SER 27 Cb 0.00 1.32 -0.04 0.00 0.21 0.00 0.00 66.02 67.51 2kyb s SER 27 CO 0.00 -0.23 -0.04 -0.22 0.41 0.00 0.00 173.24 173.16 2kyb s LEU 28 N 1.29 3.30 0.41 2.44 2.96 -0.40 -4.91 118.68 123.76 2kyb s LEU 28 Ca -0.07 -0.23 -0.02 0.00 -0.22 0.00 0.00 54.13 53.58 2kyb s LEU 28 Cb -0.05 -2.03 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 2kyb s LEU 28 CO -0.14 0.19 0.66 -0.94 -1.32 0.00 0.00 176.35 174.80 2kyb s SER 29 N -2.14 6.28 0.49 3.68 1.04 -1.26 -1.09 113.70 120.69 2kyb s SER 29 Ca 0.23 0.67 -0.19 0.00 0.48 0.00 0.00 55.95 57.14 2kyb s SER 29 Cb -0.11 -2.13 -0.09 0.00 0.10 0.00 0.00 66.02 63.79 2kyb s SER 29 CO 0.15 -0.42 0.99 -0.83 0.98 0.00 0.00 173.24 174.11 2kyb s GLY 30 N -4.05 2.26 -1.00 7.32 0.00 -1.26 -3.56 107.32 107.03 2kyb s GLY 30 Ca 0.43 0.34 0.00 0.00 0.00 0.00 0.00 44.72 45.50 2kyb s GLY 30 CO 0.40 0.63 0.00 -2.01 0.00 0.00 0.00 173.10 172.12 2kyb n ASN 31 N -1.18 -4.27 -4.80 1.64 4.05 -0.82 -4.89 115.26 104.99 2kyb n ASN 31 Ca 0.07 0.23 -0.39 0.00 0.45 0.00 0.00 54.58 54.95 2kyb n ASN 31 Cb 0.54 -2.60 -0.06 0.00 1.23 0.00 0.00 39.78 38.89 2kyb n ASN 31 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2kyb s THR 32 N -2.30 4.70 0.11 -0.44 2.01 -1.23 -4.80 115.64 113.69 2kyb s THR 32 Ca 0.00 1.27 -0.23 0.00 0.31 0.00 0.00 61.69 63.05 2kyb s THR 32 Cb 0.00 -3.93 -0.07 0.00 0.01 0.00 0.00 72.50 68.51 2kyb s THR 32 CO 0.00 0.55 0.69 -0.75 -0.69 0.00 0.00 174.62 174.42 2kyb s LYS 33 N -1.07 4.41 -0.07 4.92 2.20 -1.26 -3.97 119.74 124.91 2kyb s LYS 33 Ca 0.30 0.97 -0.03 0.00 -0.36 0.00 0.00 55.97 56.85 2kyb s LYS 33 Cb -0.20 -3.27 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 2kyb s LYS 33 CO 0.20 0.56 0.14 0.14 -0.36 0.00 0.00 175.35 176.03 2kyb s VAL 34 N -0.99 -0.16 -1.08 4.02 -7.23 -1.26 -5.09 120.40 108.62 2kyb s VAL 34 Ca 0.33 0.29 -0.22 0.00 -1.81 0.00 0.00 61.98 60.57 2kyb s VAL 34 Cb -0.21 -0.25 0.05 0.00 0.56 0.00 0.00 36.38 36.53 2kyb s VAL 34 CO 0.23 0.12 1.52 0.42 -0.31 0.00 0.00 175.10 177.08 2kyb s THR 35 N 1.78 3.96 1.15 5.32 -4.23 -1.26 -4.00 115.64 118.36 2kyb s THR 35 Ca -0.02 -1.01 -0.16 0.00 -1.18 0.00 0.00 61.69 59.31 2kyb s THR 35 Cb -0.12 -5.08 0.20 0.00 1.34 0.00 0.00 72.50 68.84 2kyb s THR 35 CO -0.05 -1.95 0.48 -0.38 -0.54 0.00 0.00 174.62 172.18 2kyb n ILE 36 N 6.79 0.00 0.00 2.99 5.41 -0.97 -4.78 119.36 128.81 2kyb n ILE 36 Ca 0.37 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 63.74 2kyb n ILE 36 Cb 0.50 -0.79 0.00 0.00 -0.71 0.00 0.00 39.64 38.64 2kyb n ILE 36 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 176.55 177.88 2kyb n VAL 37 N -4.71 0.00 -2.94 1.39 0.24 -1.26 -4.91 118.33 106.14 2kyb n VAL 37 Ca 0.02 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2kyb n VAL 37 Cb 0.58 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 2kyb n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kyb n GLY 38 N 2.02 1.84 3.05 7.63 0.00 -1.26 -5.11 105.19 113.35 2kyb n GLY 38 Ca 0.00 -2.12 -0.24 0.00 0.00 0.00 0.00 46.02 43.66 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 -2.05 1.53 -0.17 1.61 8.01 -1.26 -4.77 118.70 121.60 2kyb s GLU 39 Ca 0.00 -0.44 -0.06 0.00 0.01 0.00 0.00 54.97 54.48 2kyb s GLU 39 Cb -0.00 -1.32 0.08 0.00 -4.31 0.00 0.00 34.13 28.58 2kyb s GLU 39 CO 0.00 0.11 0.36 -2.00 0.01 0.00 0.00 175.26 173.75 2kyb s GLU 40 N 0.37 0.27 2.83 1.61 2.56 -1.19 -5.08 118.70 120.07 2kyb s GLU 40 Ca -0.09 0.92 0.00 0.00 0.00 0.00 0.00 54.97 55.81 2kyb s GLU 40 Cb -0.13 0.19 0.00 0.00 2.00 0.00 0.00 34.13 36.19 2kyb s GLU 40 CO 0.02 -0.26 0.00 0.41 -0.56 0.00 0.00 175.26 174.88 2kyb n GLY 41 N 5.30 2.92 0.73 -1.50 0.00 -1.26 -1.01 105.19 110.37 2kyb n GLY 41 Ca -0.09 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.19 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 10.45 3.10 -2.83 4.61 0.00 -1.26 -5.01 120.51 129.57 2kyb n ALA 42 Ca 0.00 -2.60 -0.10 0.00 0.00 0.00 0.00 53.44 50.74 2kyb n ALA 42 Cb 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.94 -0.01 0.24 0.00 0.40 -0.18 -3.53 117.98 111.96 2kyb s PHE 43 Ca 0.40 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.48 2kyb s PHE 43 Cb 0.34 0.05 -0.04 0.00 0.51 0.00 0.00 43.02 43.89 2kyb s PHE 43 CO 0.05 -0.54 0.19 1.52 0.70 0.00 0.00 175.22 177.14 2kyb s TYR 44 N -3.20 1.33 0.22 0.36 1.13 -1.26 -3.18 117.35 112.76 2kyb s TYR 44 Ca -0.00 -1.45 0.01 0.00 -1.41 0.00 0.00 57.07 54.21 2kyb s TYR 44 Cb 0.01 -0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 40.25 2kyb s TYR 44 CO -0.07 -0.73 0.39 0.15 -2.51 0.00 0.00 175.55 172.78 2kyb s LYS 45 N -3.92 3.49 0.11 -3.49 1.02 -1.26 -4.34 119.74 111.35 2kyb s LYS 45 Ca 0.39 -0.46 -0.09 0.00 0.02 0.00 0.00 55.97 55.83 2kyb s LYS 45 Cb 0.05 -2.84 -0.00 0.00 -0.52 0.00 0.00 37.83 34.52 2kyb s LYS 45 CO 0.17 0.38 0.23 0.96 -0.92 0.00 0.00 175.35 176.17 2kyb s ILE 46 N -1.94 0.11 -0.55 2.17 -4.36 -1.25 -4.36 121.20 111.01 2kyb s ILE 46 Ca 0.37 -1.22 0.04 0.00 -0.26 0.00 0.00 60.65 59.58 2kyb s ILE 46 Cb -0.10 -1.50 0.14 0.00 1.25 0.00 0.00 42.46 42.25 2kyb s ILE 46 CO 0.30 -0.52 0.32 -1.61 0.24 0.00 0.00 174.94 173.67 2kyb s GLU 47 N -3.89 2.00 0.06 0.37 8.01 -1.26 -4.28 118.70 119.71 2kyb s GLU 47 Ca 0.09 -2.73 -0.00 0.00 0.01 0.00 0.00 54.97 52.34 2kyb s GLU 47 Cb 0.04 -3.19 -0.04 0.00 -4.31 0.00 0.00 34.13 26.63 2kyb s GLU 47 CO -0.07 -1.17 -0.04 -0.47 0.01 0.00 0.00 175.26 173.52 2kyb s TYR 48 N -0.50 0.61 -1.22 1.61 6.14 -1.19 -4.81 117.35 117.99 2kyb s TYR 48 Ca 0.19 -0.96 0.00 0.00 0.64 0.00 0.00 57.07 56.94 2kyb s TYR 48 Cb -0.20 -0.41 0.00 0.00 0.42 0.00 0.00 41.96 41.77 2kyb s TYR 48 CO -0.04 -0.29 0.00 1.63 0.64 0.00 0.00 175.55 177.49 2kyb n LYS 49 N 0.23 -1.40 -0.59 4.97 5.02 -1.26 -0.27 118.16 124.85 2kyb n LYS 49 Ca -0.15 0.73 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2kyb n LYS 49 Cb 0.60 -4.91 0.00 0.00 -0.02 0.00 0.00 35.03 30.70 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 -0.11 0.52 3.72 0.72 0.00 -1.26 -4.93 105.19 103.85 2kyb n GLY 50 Ca -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.46 4.25 -0.00 1.61 1.04 0.62 -5.14 113.70 113.62 2kyb s SER 51 Ca 0.00 -1.26 -0.02 0.00 0.48 0.00 0.00 55.95 55.16 2kyb s SER 51 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2kyb s SER 51 CO 0.00 -0.61 0.14 -1.00 0.98 0.00 0.00 173.24 172.75 2kyb s HIS 52 N -2.69 3.44 0.23 5.02 3.76 -1.26 -3.15 115.29 120.64 2kyb s HIS 52 Ca 0.34 0.29 -0.14 0.00 -0.15 0.00 0.00 55.06 55.40 2kyb s HIS 52 Cb 0.05 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2kyb s HIS 52 CO 0.18 0.61 0.49 0.20 -0.85 0.00 0.00 174.74 175.37 2kyb s GLY 53 N -1.90 0.34 0.05 -2.22 0.00 -1.26 -4.96 107.32 97.37 2kyb s GLY 53 Ca 0.26 -0.69 0.03 0.00 0.00 0.00 0.00 44.72 44.32 2kyb s GLY 53 CO 0.17 -0.52 -0.09 -0.19 0.00 0.00 0.00 173.10 172.47 2kyb s TYR 54 N -3.97 0.82 0.06 1.90 1.51 0.11 -3.80 117.35 113.98 2kyb s TYR 54 Ca 0.18 -0.50 -0.20 0.00 -1.01 0.00 0.00 57.07 55.54 2kyb s TYR 54 Cb -0.01 -0.48 0.05 0.00 -0.11 0.00 0.00 41.96 41.41 2kyb s TYR 54 CO 0.05 -0.05 0.47 0.54 -1.11 0.00 0.00 175.55 175.46 2kyb s VAL 55 N -1.39 0.04 0.18 0.71 0.11 -1.26 -0.79 120.40 118.01 2kyb s VAL 55 Ca -0.08 -0.35 -0.32 0.00 -2.93 0.00 0.00 61.98 58.31 2kyb s VAL 55 Cb -0.10 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.65 2kyb s VAL 55 CO 0.01 -0.19 1.58 0.00 -3.33 0.00 0.00 175.10 173.17 2kyb s ALA 56 N -2.74 3.79 -0.05 1.54 0.00 -1.26 -4.18 121.76 118.86 2kyb s ALA 56 Ca -0.04 1.40 0.01 0.00 0.00 0.00 0.00 51.96 53.34 2kyb s ALA 56 Cb -0.00 -3.63 -0.25 0.00 0.00 0.00 0.00 23.12 19.23 2kyb s ALA 56 CO -0.04 -0.80 0.62 1.57 0.00 0.00 0.00 175.76 177.11 2kyb h LYS 57 N 6.66 0.16 -0.20 0.00 2.10 -1.96 -3.34 116.57 120.00 2kyb h LYS 57 Ca -0.43 -0.28 0.05 0.00 -2.00 0.00 0.00 60.65 57.99 2kyb h LYS 57 Cb 1.20 0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.63 2kyb h LYS 57 CO 0.91 0.93 0.14 1.05 -2.00 0.00 0.00 179.45 180.48 2kyb h GLU 58 N 0.04 0.05 0.00 0.07 4.11 -1.91 -0.76 114.58 116.18 2kyb h GLU 58 Ca -0.32 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2kyb h GLU 58 Cb 2.02 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2kyb h GLU 58 CO 0.11 0.03 0.37 -0.92 0.07 0.00 0.00 179.01 178.67 2kyb h TYR 59 N 0.05 0.00 -0.00 2.06 3.20 -1.98 -3.52 116.97 116.78 2kyb h TYR 59 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2kyb h TYR 59 Cb 0.31 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.58 2kyb h TYR 59 CO -0.00 0.00 0.00 -0.89 -1.64 0.00 0.00 178.16 175.63