#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub s SER 2 N 0.00 5.08 0.00 1.61 0.01 -1.26 -4.80 113.70 114.34 2yub s SER 2 Ca 0.00 0.47 0.00 0.00 1.31 0.00 0.00 55.95 57.73 2yub s SER 2 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2yub s SER 2 CO 0.00 -2.50 0.00 -1.54 0.41 0.00 0.00 173.24 169.61 2yub n SER 3 N 13.48 0.00 -2.14 2.44 3.41 -1.26 -5.18 113.62 124.37 2yub n SER 3 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2yub n SER 3 Cb 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 4 N 0.00 -0.43 2.56 5.00 0.00 -1.26 -4.55 105.19 106.51 2yub n GLY 4 Ca 0.00 -1.74 -0.17 0.00 0.00 0.00 0.00 46.02 44.10 2yub n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yub n SER 5 N -1.95 -5.10 -3.83 1.61 7.64 -1.26 -4.98 113.62 105.75 2yub n SER 5 Ca 0.00 -0.13 -0.30 0.00 1.01 0.00 0.00 58.87 59.44 2yub n SER 5 Cb 0.00 -4.06 -0.15 0.00 -1.01 0.00 0.00 64.21 58.99 2yub n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yub s SER 6 N -2.54 4.22 -0.06 6.43 0.01 -1.26 -5.09 113.70 115.41 2yub s SER 6 Ca 0.14 -1.98 -0.02 0.00 1.31 0.00 0.00 55.95 55.40 2yub s SER 6 Cb -0.06 -1.15 0.03 0.00 0.21 0.00 0.00 66.02 65.05 2yub s SER 6 CO 0.17 -0.38 0.03 -0.83 0.41 0.00 0.00 173.24 172.64 2yub s GLY 7 N 1.16 0.37 -0.68 3.44 0.00 -1.26 -5.10 107.32 105.26 2yub s GLY 7 Ca 0.11 -0.01 -0.19 0.00 0.00 0.00 0.00 44.72 44.64 2yub s GLY 7 CO -0.16 1.26 0.81 -1.34 0.00 0.00 0.00 173.10 173.67 2yub s VAL 8 N 2.05 4.82 -0.35 1.40 -7.23 -1.26 -4.74 120.40 115.10 2yub s VAL 8 Ca 0.05 -1.15 0.04 0.00 -1.81 0.00 0.00 61.98 59.11 2yub s VAL 8 Cb -0.12 -4.56 0.21 0.00 0.56 0.00 0.00 36.38 32.47 2yub s VAL 8 CO -0.04 -1.22 1.20 1.67 -0.31 0.00 0.00 175.10 176.40 2yub n GLN 9 N 6.31 0.44 -3.60 4.82 -0.06 -1.26 -5.16 117.38 118.87 2yub n GLN 9 Ca -0.01 -1.02 -0.05 0.00 -2.00 0.00 0.00 57.00 53.92 2yub n GLN 9 Cb 0.44 -0.14 -0.03 0.00 -4.06 0.00 0.00 30.24 26.46 2yub n GLN 9 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2yub s ASP 10 N -0.47 -0.14 -0.32 1.69 -1.08 -1.26 -5.13 116.67 109.95 2yub s ASP 10 Ca 0.13 0.04 -0.01 0.00 -0.52 0.00 0.00 52.55 52.19 2yub s ASP 10 Cb 0.20 0.14 0.11 0.00 -1.46 0.00 0.00 42.92 41.90 2yub s ASP 10 CO -0.08 -0.21 0.12 -1.58 0.52 0.00 0.00 175.17 173.94 2yub s GLN 11 N -2.08 0.74 0.08 4.34 0.74 -1.26 -5.12 119.66 117.10 2yub s GLN 11 Ca 0.08 -1.16 0.07 0.00 0.05 0.00 0.00 55.36 54.41 2yub s GLN 11 Cb -0.01 -1.96 -0.03 0.00 1.10 0.00 0.00 33.01 32.11 2yub s GLN 11 CO -0.05 -1.02 -0.20 -0.51 -0.55 0.00 0.00 175.29 172.97 2yub s LEU 12 N 1.48 2.25 0.22 3.68 1.43 -1.26 -5.12 118.68 121.35 2yub s LEU 12 Ca 0.11 -0.61 -0.30 0.00 -1.03 0.00 0.00 54.13 52.30 2yub s LEU 12 Cb -0.18 -0.85 -0.09 0.00 0.03 0.00 0.00 46.19 45.10 2yub s LEU 12 CO -0.22 0.07 1.29 -2.16 0.23 0.00 0.00 176.35 175.56 2yub s PRO 13 N -1.61 4.41 -0.19 1.29 0.04 -1.26 -5.03 135.00 132.65 2yub s PRO 13 Ca 0.06 2.05 -0.13 0.00 0.04 0.00 0.00 61.00 63.02 2yub s PRO 13 Cb -0.09 -3.18 0.06 0.00 0.04 0.00 0.00 34.50 31.32 2yub s PRO 13 CO 0.03 -0.21 0.47 -0.47 0.04 0.00 0.00 177.00 176.86 2yub s TYR 14 N -0.11 -0.63 -0.04 0.56 5.04 -1.26 -4.81 117.35 116.11 2yub s TYR 14 Ca 0.55 1.38 0.01 0.00 -2.44 0.00 0.00 57.07 56.57 2yub s TYR 14 Cb -0.36 0.28 0.02 0.00 0.35 0.00 0.00 41.96 42.25 2yub s TYR 14 CO 0.40 -0.33 -0.03 -1.12 -1.34 0.00 0.00 175.55 173.13 2yub s SER 15 N 1.01 0.75 -0.03 4.32 0.01 -1.19 -5.07 113.70 113.49 2yub s SER 15 Ca -0.06 -0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.18 2yub s SER 15 Cb -0.06 -0.36 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 2yub s SER 15 CO -0.09 -0.08 -0.23 -0.69 0.41 0.00 0.00 173.24 172.57 2yub s VAL 16 N 0.98 2.33 -0.02 3.43 1.01 -1.26 -1.15 120.40 125.72 2yub s VAL 16 Ca -0.10 -1.00 0.05 0.00 0.00 0.00 0.00 61.98 60.92 2yub s VAL 16 Cb -0.14 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 2yub s VAL 16 CO -0.01 0.58 -0.16 -0.89 0.00 0.00 0.00 175.10 174.62 2yub s THR 17 N -0.63 2.90 -0.09 3.92 2.01 -0.55 -4.99 115.64 118.21 2yub s THR 17 Ca 0.10 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.23 2yub s THR 17 Cb -0.10 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.28 2yub s THR 17 CO -0.00 0.52 -0.12 -0.22 -0.69 0.00 0.00 174.62 174.11 2yub s LEU 18 N -0.92 1.55 -0.11 4.42 2.96 -1.26 -0.63 118.68 124.69 2yub s LEU 18 Ca 0.12 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2yub s LEU 18 Cb -0.11 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.70 2yub s LEU 18 CO 0.02 -0.01 -0.22 0.27 -1.32 0.00 0.00 176.35 175.09 2yub s ILE 19 N 1.00 1.93 -0.32 6.68 -0.00 -0.79 -5.00 121.20 124.71 2yub s ILE 19 Ca -0.08 -0.93 0.01 0.00 -0.00 0.00 0.00 60.65 59.65 2yub s ILE 19 Cb -0.15 -1.69 0.10 0.00 -0.00 0.00 0.00 42.46 40.72 2yub s ILE 19 CO -0.01 0.53 0.08 -0.55 -0.00 0.00 0.00 174.94 175.00 2yub s SER 20 N 0.53 4.23 0.02 4.36 0.15 -1.26 -1.32 113.70 120.41 2yub s SER 20 Ca -0.15 -1.78 0.07 0.00 0.70 0.00 0.00 55.95 54.79 2yub s SER 20 Cb -0.17 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.03 2yub s SER 20 CO 0.05 -0.40 -0.19 -0.04 1.20 0.00 0.00 173.24 173.86 2yub s MET 21 N 1.42 2.11 1.02 5.44 1.00 -1.15 -4.98 119.30 124.17 2yub s MET 21 Ca 0.10 -0.95 -0.13 0.00 0.00 0.00 0.00 55.69 54.71 2yub s MET 21 Cb -0.18 -2.19 0.20 0.00 0.00 0.00 0.00 34.83 32.67 2yub s MET 21 CO -0.20 0.55 1.09 -1.25 0.00 0.00 0.00 175.02 175.21 2yub s PRO 22 N -1.27 0.25 0.98 2.03 0.04 -1.26 -0.75 135.00 135.02 2yub s PRO 22 Ca 0.14 0.46 -0.15 0.00 0.04 0.00 0.00 61.00 61.49 2yub s PRO 22 Cb -0.10 -1.72 -0.05 0.00 0.04 0.00 0.00 34.50 32.66 2yub s PRO 22 CO 0.04 -2.84 -0.19 0.00 0.04 0.00 0.00 177.00 174.05 2yub n ALA 23 N -4.24 -4.02 -2.53 8.56 0.00 -1.21 -4.66 120.51 112.40 2yub n ALA 23 Ca 0.05 -0.69 -0.24 0.00 0.00 0.00 0.00 53.44 52.56 2yub n ALA 23 Cb 0.57 -1.47 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 2yub n ALA 23 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2yub s THR 24 N -2.21 1.62 0.96 0.00 -4.23 -1.26 -4.99 115.64 105.54 2yub s THR 24 Ca 0.49 -1.35 -0.13 0.00 -1.18 0.00 0.00 61.69 59.51 2yub s THR 24 Cb -0.19 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.21 2yub s THR 24 CO 0.74 0.04 0.17 0.41 -0.54 0.00 0.00 174.62 175.45 2yub n THR 25 N 1.46 0.00 -1.42 3.99 -1.04 -1.26 -4.72 114.28 111.30 2yub n THR 25 Ca -0.19 -0.25 0.17 0.00 -2.04 0.00 0.00 64.05 61.74 2yub n THR 25 Cb 0.54 -0.50 -0.09 0.00 -1.82 0.00 0.00 70.33 68.45 2yub n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2yub n GLU 26 N -0.90 -3.20 -0.54 -2.82 1.02 -1.26 -4.44 120.64 108.51 2yub n GLU 26 Ca 0.05 2.61 0.04 0.00 -0.02 0.00 0.00 57.16 59.84 2yub n GLU 26 Cb 0.54 -3.77 0.24 0.00 -0.02 0.00 0.00 31.44 28.43 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yub s ARG 28 N -2.06 1.33 1.10 0.00 1.70 -1.26 -4.86 118.95 114.91 2yub s ARG 28 Ca 0.33 -1.13 -0.17 0.00 -0.47 0.00 0.00 55.73 54.29 2yub s ARG 28 Cb 0.25 -2.53 0.11 0.00 -0.57 0.00 0.00 34.95 32.21 2yub s ARG 28 CO 0.10 -0.75 0.15 2.89 -1.08 0.00 0.00 175.30 176.61 2yub n ARG 29 N 4.66 -1.52 -0.04 3.89 0.00 -1.26 -4.95 116.66 117.44 2yub n ARG 29 Ca -0.07 -0.42 -0.12 0.00 -0.00 0.00 0.00 57.85 57.24 2yub n ARG 29 Cb 0.43 -1.76 -0.14 0.00 -0.00 0.00 0.00 32.46 30.99 2yub n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2yub n GLY 30 N 1.87 -0.88 3.66 2.89 0.00 -1.26 -4.94 105.19 106.52 2yub n GLY 30 Ca 0.02 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 2yub n GLY 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2yub s PHE 31 N -2.56 2.91 0.34 1.61 -0.71 -1.26 -3.46 117.98 114.84 2yub s PHE 31 Ca -0.11 -0.08 0.09 0.00 -1.04 0.00 0.00 56.93 55.80 2yub s PHE 31 Cb 0.07 -1.49 -0.06 0.00 -1.21 0.00 0.00 43.02 40.34 2yub s PHE 31 CO 0.80 0.47 -0.03 -1.12 -1.34 0.00 0.00 175.22 174.01 2yub s SER 32 N -2.39 4.03 -0.04 1.98 0.01 -0.01 -5.00 113.70 112.27 2yub s SER 32 Ca 0.25 -1.05 -0.05 0.00 1.31 0.00 0.00 55.95 56.41 2yub s SER 32 Cb -0.11 -0.47 0.01 0.00 0.21 0.00 0.00 66.02 65.66 2yub s SER 32 CO 0.17 -0.22 0.13 0.68 0.41 0.00 0.00 173.24 174.42 2yub s VAL 33 N -2.54 0.01 0.22 3.43 -7.23 -1.26 -3.46 120.40 109.58 2yub s VAL 33 Ca 0.34 -0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.21 2yub s VAL 33 Cb 0.01 -0.24 -0.08 0.00 0.56 0.00 0.00 36.38 36.63 2yub s VAL 33 CO 0.18 -0.07 0.70 -0.89 -0.31 0.00 0.00 175.10 174.71 2yub s THR 34 N -0.17 4.64 0.05 5.32 2.01 0.18 -4.91 115.64 122.75 2yub s THR 34 Ca -0.03 1.15 0.09 0.00 0.31 0.00 0.00 61.69 63.21 2yub s THR 34 Cb -0.02 -3.80 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 2yub s THR 34 CO 0.00 0.16 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.16 2yub s VAL 35 N -1.58 1.95 -0.04 3.82 1.01 -1.26 -3.10 120.40 121.20 2yub s VAL 35 Ca 0.44 -1.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.03 2yub s VAL 35 Cb -0.15 -1.68 0.01 0.00 0.00 0.00 0.00 36.38 34.55 2yub s VAL 35 CO 0.20 0.27 0.11 -1.61 0.00 0.00 0.00 175.10 174.07 2yub s GLU 36 N -1.29 0.15 -0.07 2.72 2.02 -1.00 -5.02 118.70 116.22 2yub s GLU 36 Ca 0.10 0.11 0.15 0.00 0.02 0.00 0.00 54.97 55.35 2yub s GLU 36 Cb -0.10 0.07 -0.22 0.00 0.10 0.00 0.00 34.13 33.99 2yub s GLU 36 CO 0.02 -0.02 0.23 -1.13 0.02 0.00 0.00 175.26 174.38 2yub n SER 37 N 2.91 1.43 0.00 -0.19 3.41 -1.26 -0.85 113.62 119.07 2yub n SER 37 Ca -0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 2yub n SER 37 Cb 0.59 1.38 0.00 0.00 -0.26 0.00 0.00 64.21 65.92 2yub n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n ALA 38 N -2.24 0.00 -2.41 7.33 0.00 -1.26 -1.07 120.51 120.86 2yub n ALA 38 Ca -0.11 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.36 2yub n ALA 38 Cb 0.63 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.10 2yub n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yub n SER 39 N 3.00 0.84 -3.52 0.00 2.88 -1.26 -5.10 113.62 110.47 2yub n SER 39 Ca 0.00 -2.01 -0.22 0.00 -1.33 0.00 0.00 58.87 55.31 2yub n SER 39 Cb 0.00 -0.29 -0.07 0.00 -0.75 0.00 0.00 64.21 63.10 2yub n SER 39 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 40 N 0.40 0.48 -0.37 -3.46 7.64 -0.23 -5.06 113.62 113.02 2yub n SER 40 Ca 0.05 -3.08 0.09 0.00 1.01 0.00 0.00 58.87 56.94 2yub n SER 40 Cb 1.07 1.22 0.18 0.00 -1.01 0.00 0.00 64.21 65.68 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2yub n ASN 41 N -1.63 2.89 -3.09 6.43 2.85 -1.26 -4.75 115.26 116.69 2yub n ASN 41 Ca -0.01 -3.08 -0.19 0.00 -0.11 0.00 0.00 54.58 51.20 2yub n ASN 41 Cb 0.58 -0.47 -0.03 0.00 1.24 0.00 0.00 39.78 41.10 2yub n ASN 41 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yub n TYR 42 N -1.11 -0.84 -1.20 1.20 4.11 -1.26 -4.24 117.16 113.81 2yub n TYR 42 Ca 0.18 -3.26 0.03 0.00 -0.00 0.00 0.00 57.90 54.85 2yub n TYR 42 Cb 0.73 0.06 -0.01 0.00 -0.00 0.00 0.00 39.34 40.13 2yub n TYR 42 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2yub n ALA 43 N 1.05 -1.05 0.00 -3.48 0.00 -1.20 -4.02 120.51 111.81 2yub n ALA 43 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2yub n ALA 43 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.73 2yub n ALA 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2yub n THR 44 N -1.12 0.00 -3.94 0.00 -1.04 -0.03 -4.68 114.28 103.46 2yub n THR 44 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 2yub n THR 44 Cb 0.09 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.47 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2yub s THR 45 N 0.00 0.10 -0.02 12.58 2.01 -1.17 -4.74 115.64 124.41 2yub s THR 45 Ca 0.00 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2yub s THR 45 Cb 0.00 -0.16 0.01 0.00 0.01 0.00 0.00 72.50 72.36 2yub s THR 45 CO 0.00 -0.18 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.05 2yub s VAL 46 N -0.59 0.16 -0.07 3.82 1.01 -1.26 -2.36 120.40 121.10 2yub s VAL 46 Ca -0.06 0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 2yub s VAL 46 Cb -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 36.38 36.17 2yub s VAL 46 CO -0.00 0.10 0.15 0.00 0.00 0.00 0.00 175.10 175.34 2yub s GLN 47 N 0.52 0.11 -0.02 2.72 -2.07 -1.18 -3.46 119.66 116.28 2yub s GLN 47 Ca -0.05 0.35 -0.30 0.00 -1.82 0.00 0.00 55.36 53.54 2yub s GLN 47 Cb -0.08 -0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 31.67 2yub s GLN 47 CO -0.01 -0.14 1.37 0.08 -1.32 0.00 0.00 175.29 175.27 2yub s VAL 48 N 0.97 3.84 -0.09 3.63 1.01 -0.97 -0.64 120.40 128.15 2yub s VAL 48 Ca -0.07 1.19 -0.06 0.00 0.00 0.00 0.00 61.98 63.04 2yub s VAL 48 Cb -0.09 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.50 2yub s VAL 48 CO -0.05 -0.01 -0.12 1.17 0.00 0.00 0.00 175.10 176.08 2yub n LYS 49 N 5.47 0.29 -4.42 2.72 0.00 -1.22 -3.74 118.16 117.25 2yub n LYS 49 Ca 0.13 0.39 -0.21 0.00 0.00 0.00 0.00 58.31 58.62 2yub n LYS 49 Cb 0.44 -1.30 -0.14 0.00 0.00 0.00 0.00 35.03 34.03 2yub n LYS 49 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2yub s GLU 50 N -1.83 1.01 -0.03 1.64 0.41 -1.26 -4.74 118.70 113.91 2yub s GLU 50 Ca -0.10 -0.74 -0.00 0.00 -0.41 0.00 0.00 54.97 53.71 2yub s GLU 50 Cb 0.01 -1.02 0.03 0.00 -1.78 0.00 0.00 34.13 31.37 2yub s GLU 50 CO 0.15 0.26 0.03 0.08 -0.49 0.00 0.00 175.26 175.29 2yub s VAL 51 N -0.77 0.02 -0.19 2.63 1.01 -1.26 -0.83 120.40 121.00 2yub s VAL 51 Ca 0.03 0.21 -0.14 0.00 0.00 0.00 0.00 61.98 62.07 2yub s VAL 51 Cb -0.08 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.10 2yub s VAL 51 CO 0.01 0.13 0.33 0.20 0.00 0.00 0.00 175.10 175.76 2yub s ASN 52 N 1.27 6.40 0.14 3.32 -0.87 -1.22 -4.90 114.94 119.08 2yub s ASN 52 Ca -0.06 0.46 0.16 0.00 -1.57 0.00 0.00 52.86 51.85 2yub s ASN 52 Cb -0.13 -2.20 -0.07 0.00 -0.02 0.00 0.00 41.25 38.83 2yub s ASN 52 CO -0.03 0.01 1.06 0.03 -2.57 0.00 0.00 177.10 175.60 2yub h ARG 53 N 7.11 0.00 0.00 -0.60 3.08 -1.96 -3.06 114.38 118.96 2yub h ARG 53 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.67 2yub h ARG 53 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2yub h ARG 53 CO 0.73 0.40 0.00 -1.33 -1.07 0.00 0.00 179.97 178.69 2yub n MET 54 N -3.03 0.65 -0.07 0.04 2.81 -1.26 -2.02 117.12 114.25 2yub n MET 54 Ca -0.05 0.02 -0.13 0.00 -1.81 0.00 0.00 57.70 55.73 2yub n MET 54 Cb 0.81 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.77 2yub n MET 54 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yub n HIS 55 N -1.11 0.00 0.75 2.03 8.25 -1.23 -4.56 115.22 119.35 2yub n HIS 55 Ca 0.17 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.74 2yub n HIS 55 Cb 0.13 -0.49 0.47 0.00 1.12 0.00 0.00 29.99 31.23 2yub n HIS 55 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 2yub n ILE 56 N -3.39 0.49 -1.49 1.59 5.41 -1.16 -5.01 119.36 115.80 2yub n ILE 56 Ca -0.25 0.12 0.17 0.00 1.00 0.00 0.00 62.75 63.78 2yub n ILE 56 Cb 0.70 -0.74 -0.09 0.00 -0.71 0.00 0.00 39.64 38.80 2yub n ILE 56 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2yub n SER 57 N -1.51 -8.08 -4.56 4.38 7.64 -0.86 -4.47 113.62 106.16 2yub n SER 57 Ca 0.05 1.54 -0.40 0.00 1.01 0.00 0.00 58.87 61.07 2yub n SER 57 Cb 0.26 -5.13 -0.03 0.00 -1.01 0.00 0.00 64.21 58.30 2yub n SER 57 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2yub s PRO 58 N -4.45 2.85 0.00 1.43 0.04 -1.26 -3.91 135.00 129.70 2yub s PRO 58 Ca 0.00 0.81 0.00 0.00 0.04 0.00 0.00 61.00 61.85 2yub s PRO 58 Cb 0.00 -4.32 0.00 0.00 0.04 0.00 0.00 34.50 30.22 2yub s PRO 58 CO 0.00 -2.46 0.00 0.09 0.04 0.00 0.00 177.00 174.67 2yub n ASN 59 N 11.94 0.00 -0.57 6.66 3.02 -1.26 -4.94 115.26 130.11 2yub n ASN 59 Ca 0.21 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.81 2yub n ASN 59 Cb 0.51 0.00 0.12 0.00 -0.61 0.00 0.00 39.78 39.80 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yub n ASN 60 N 0.00 2.62 0.15 6.41 4.13 -1.25 -4.47 115.26 122.85 2yub n ASN 60 Ca 0.00 -1.84 0.04 0.00 1.68 0.00 0.00 54.58 54.45 2yub n ASN 60 Cb 0.00 -0.16 0.07 0.00 -1.54 0.00 0.00 39.78 38.15 2yub n ASN 60 CO 0.00 0.00 0.00 0.08 0.28 0.00 0.00 177.26 177.62 2yub h ARG 61 N 2.02 0.00 -0.13 3.52 0.11 -1.83 -3.05 114.38 115.01 2yub h ARG 61 Ca 0.00 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 59.95 2yub h ARG 61 Cb 0.65 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.72 2yub h ARG 61 CO 0.00 0.45 -0.47 -2.95 0.10 0.00 0.00 179.97 177.10 2yub h ASN 62 N 0.00 0.35 0.05 0.08 -1.07 -1.92 -3.27 115.58 109.80 2yub h ASN 62 Ca -0.00 -0.16 -0.00 0.00 0.07 0.00 0.00 56.30 56.20 2yub h ASN 62 Cb 1.30 -0.10 0.00 0.00 -2.07 0.00 0.00 38.32 37.45 2yub h ASN 62 CO 0.06 0.77 -0.02 0.00 0.07 0.00 0.00 177.43 178.30 2yub h ALA 63 N 1.25 -0.06 -2.26 4.14 0.00 -1.85 -3.46 119.26 117.01 2yub h ALA 63 Ca 0.02 -0.32 -0.48 0.00 0.00 0.00 0.00 54.91 54.12 2yub h ALA 63 Cb 0.93 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.77 2yub h ALA 63 CO 0.08 -0.14 -0.02 -1.50 0.00 0.00 0.00 179.25 177.68 2yub s ILE 64 N -2.88 4.89 0.00 0.00 2.07 -1.16 -4.96 121.20 119.17 2yub s ILE 64 Ca -0.15 -0.10 0.00 0.00 -1.41 0.00 0.00 60.65 58.99 2yub s ILE 64 Cb -0.01 -3.83 0.00 0.00 0.13 0.00 0.00 42.46 38.75 2yub s ILE 64 CO 0.55 -0.70 0.00 1.41 -1.91 0.00 0.00 174.94 174.29 2yub n HIS 65 N -2.08 0.00 -2.08 3.50 8.25 -1.26 -4.72 115.22 116.83 2yub n HIS 65 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2yub n HIS 65 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 2yub n HIS 65 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2yub s PRO 66 N -2.00 3.24 0.00 -0.41 0.04 -1.26 -3.04 135.00 131.57 2yub s PRO 66 Ca 0.00 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.21 2yub s PRO 66 Cb 0.00 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 30.34 2yub s PRO 66 CO 0.00 -1.97 0.00 0.41 0.04 0.00 0.00 177.00 175.48 2yub n GLY 67 N 5.41 0.61 4.02 0.56 0.00 -1.25 -5.07 105.19 109.47 2yub n GLY 67 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2yub n GLY 67 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2yub s ASP 68 N -0.20 5.11 -0.07 1.61 1.01 -1.17 -4.97 116.67 118.00 2yub s ASP 68 Ca 0.00 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 52.69 2yub s ASP 68 Cb 0.00 -0.10 0.02 0.00 1.01 0.00 0.00 42.92 43.85 2yub s ASP 68 CO 0.00 -1.28 -0.05 0.00 0.21 0.00 0.00 175.17 174.05 2yub s ARG 69 N -4.69 1.00 -0.04 8.23 1.70 -1.26 -2.28 118.95 121.62 2yub s ARG 69 Ca 0.61 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.46 2yub s ARG 69 Cb -0.07 -1.09 -0.03 0.00 -0.57 0.00 0.00 34.95 33.20 2yub s ARG 69 CO 0.38 -0.17 1.03 0.42 -1.08 0.00 0.00 175.30 175.89 2yub s ILE 70 N 1.33 4.71 -0.25 4.99 1.09 -1.23 -3.76 121.20 128.08 2yub s ILE 70 Ca -0.04 1.96 -0.10 0.00 -1.10 0.00 0.00 60.65 61.37 2yub s ILE 70 Cb -0.14 -4.26 -0.15 0.00 -1.06 0.00 0.00 42.46 36.85 2yub s ILE 70 CO -0.03 0.09 -0.19 0.18 -0.10 0.00 0.00 174.94 174.89 2yub n LEU 71 N 4.39 2.29 -4.10 2.97 4.77 -1.00 -4.44 117.00 121.88 2yub n LEU 71 Ca 0.08 0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.08 2yub n LEU 71 Cb 0.49 -0.89 -0.13 0.00 -2.33 0.00 0.00 43.42 40.56 2yub n LEU 71 CO 0.53 0.66 -0.44 -1.61 -1.33 0.00 0.00 177.39 175.20 2yub s GLU 72 N -2.50 0.78 -0.08 3.23 2.02 -1.26 -2.80 118.70 118.09 2yub s GLU 72 Ca -0.35 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.02 2yub s GLU 72 Cb 0.11 -0.74 0.00 0.00 0.10 0.00 0.00 34.13 33.61 2yub s GLU 72 CO 0.56 0.18 -0.19 0.42 0.02 0.00 0.00 175.26 176.24 2yub s ILE 73 N -0.81 1.68 -0.74 -1.63 1.01 0.39 -2.01 121.20 119.09 2yub s ILE 73 Ca -0.00 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 59.85 2yub s ILE 73 Cb -0.07 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.93 2yub s ILE 73 CO 0.01 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.01 2yub n ASN 74 N 3.60 -5.75 -0.08 3.58 3.02 -0.70 -1.45 115.26 117.49 2yub n ASN 74 Ca -0.20 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.52 2yub n ASN 74 Cb 0.52 -3.91 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yub n GLY 75 N 0.52 1.23 3.10 7.41 0.00 -1.26 -4.95 105.19 111.25 2yub n GLY 75 Ca -0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 2yub n GLY 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yub s THR 76 N -2.15 0.05 0.20 2.61 -4.23 -0.53 -5.13 115.64 106.46 2yub s THR 76 Ca 0.00 -0.44 -0.30 0.00 -1.18 0.00 0.00 61.69 59.77 2yub s THR 76 Cb 0.00 -0.39 -0.09 0.00 1.34 0.00 0.00 72.50 73.37 2yub s THR 76 CO 0.00 -0.24 1.30 -2.16 -0.54 0.00 0.00 174.62 172.98 2yub s PRO 77 N -0.87 4.39 0.00 3.99 0.04 -1.26 -0.46 135.00 140.83 2yub s PRO 77 Ca -0.10 2.04 0.26 0.00 0.04 0.00 0.00 61.00 63.25 2yub s PRO 77 Cb -0.05 -3.20 0.74 0.00 0.04 0.00 0.00 34.50 32.03 2yub s PRO 77 CO 0.01 -0.24 1.57 1.33 0.04 0.00 0.00 177.00 179.72 2yub n VAL 78 N 2.60 0.00 1.45 -0.36 0.24 -1.12 -2.79 118.33 118.34 2yub n VAL 78 Ca 0.06 -0.01 0.14 0.00 -2.04 0.00 0.00 64.34 62.50 2yub n VAL 78 Cb 0.43 0.04 0.64 0.00 -1.47 0.00 0.00 33.84 33.48 2yub n VAL 78 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2yub n ARG 79 N -1.46 0.72 0.00 7.34 0.00 -1.26 -3.75 116.66 118.25 2yub n ARG 79 Ca 0.06 -0.23 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2yub n ARG 79 Cb 0.33 -1.50 0.00 0.00 -0.00 0.00 0.00 32.46 31.30 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yub n THR 80 N -0.94 0.00 -1.82 8.89 -2.24 -1.23 -4.72 114.28 112.22 2yub n THR 80 Ca 0.15 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.61 2yub n THR 80 Cb 0.27 0.05 0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2yub n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2yub s LEU 81 N -2.71 3.37 0.58 3.22 1.43 -1.12 -4.89 118.68 118.56 2yub s LEU 81 Ca 0.00 1.85 -0.16 0.00 -1.03 0.00 0.00 54.13 54.78 2yub s LEU 81 Cb 0.00 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.65 2yub s LEU 81 CO 0.00 -1.43 1.05 -0.13 0.23 0.00 0.00 176.35 176.08 2yub s ARG 82 N -4.29 3.38 0.17 1.70 0.52 -1.26 -3.23 118.95 115.95 2yub s ARG 82 Ca 0.64 1.21 -0.19 0.00 -0.52 0.00 0.00 55.73 56.88 2yub s ARG 82 Cb -0.17 -2.04 0.10 0.00 0.52 0.00 0.00 34.95 33.36 2yub s ARG 82 CO 0.42 -0.76 1.64 0.28 0.02 0.00 0.00 175.30 176.90 2yub h VAL 83 N 0.57 0.44 0.00 3.52 2.07 -1.86 0.19 116.25 121.17 2yub h VAL 83 Ca -0.47 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 2yub h VAL 83 Cb 1.22 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2yub h VAL 83 CO 0.58 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 179.22 2yub h GLU 84 N -0.11 0.00 -0.32 1.57 4.11 -1.94 -2.01 114.58 115.88 2yub h GLU 84 Ca 0.20 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.53 2yub h GLU 84 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2yub h GLU 84 CO -0.47 0.00 -0.20 0.93 0.07 0.00 0.00 179.01 179.34 2yub h GLU 85 N 0.00 0.71 0.00 1.06 3.07 -1.04 0.39 114.58 118.76 2yub h GLU 85 Ca -0.00 -0.33 -0.04 0.00 -0.50 0.00 0.00 59.36 58.49 2yub h GLU 85 Cb 0.00 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2yub h GLU 85 CO 0.00 0.93 -0.20 0.28 -1.40 0.00 0.00 179.01 178.62 2yub h VAL 86 N 0.47 0.79 0.00 3.13 2.07 -0.52 -2.72 116.25 119.47 2yub h VAL 86 Ca 0.07 -0.80 -0.03 0.00 0.82 0.00 0.00 66.70 66.76 2yub h VAL 86 Cb 0.74 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.99 2yub h VAL 86 CO 0.06 0.20 -0.28 -0.33 0.02 0.00 0.00 177.57 177.23 2yub h GLU 87 N 0.00 0.00 -0.77 1.57 4.39 -1.25 -3.37 114.58 115.15 2yub h GLU 87 Ca -0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 2yub h GLU 87 Cb 0.47 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.97 2yub h GLU 87 CO 0.03 0.31 -0.22 -0.44 -1.16 0.00 0.00 179.01 177.53 2yub h ASP 88 N -1.00 -0.80 -1.16 1.42 5.19 -0.94 0.52 116.42 119.64 2yub h ASP 88 Ca -0.04 0.24 0.36 0.00 -0.62 0.00 0.00 57.03 56.96 2yub h ASP 88 Cb 0.48 0.51 -0.12 0.00 0.18 0.00 0.00 39.33 40.38 2yub h ASP 88 CO -0.03 -0.27 0.73 0.00 -3.12 0.00 0.00 179.24 176.56 2yub h ALA 89 N 1.69 2.41 0.17 3.45 0.00 -1.65 0.87 119.26 126.20 2yub h ALA 89 Ca 0.36 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 2yub h ALA 89 Cb 0.57 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2yub h ALA 89 CO -0.80 -0.97 -0.08 0.82 0.00 0.00 0.00 179.25 178.22 2yub h ILE 90 N 0.23 0.00 0.00 0.00 1.08 -0.12 -3.24 117.51 115.46 2yub h ILE 90 Ca 0.73 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.82 2yub h ILE 90 Cb 2.05 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.80 2yub h ILE 90 CO -0.42 0.00 0.08 2.29 -0.69 0.00 0.00 178.15 179.40 2yub n LYS 91 N -3.67 0.11 -1.84 2.37 2.85 -0.80 -4.20 118.16 112.99 2yub n LYS 91 Ca -0.03 0.60 -0.29 0.00 -1.05 0.00 0.00 58.31 57.55 2yub n LYS 91 Cb 0.09 -1.95 -0.07 0.00 -0.65 0.00 0.00 35.03 32.45 2yub n LYS 91 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 2yub n GLN 92 N -2.13 1.33 -2.05 -1.58 1.13 0.30 -4.75 117.38 109.63 2yub n GLN 92 Ca -0.01 -2.24 -0.39 0.00 -1.94 0.00 0.00 57.00 52.41 2yub n GLN 92 Cb 0.10 -3.63 0.03 0.00 0.11 0.00 0.00 30.24 26.85 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2yub n THR 93 N 7.75 4.17 0.00 5.09 -2.24 -1.26 -4.29 114.28 123.50 2yub n THR 93 Ca 0.45 -4.57 0.00 0.00 -2.27 0.00 0.00 64.05 57.66 2yub n THR 93 Cb 0.46 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.33 2yub n THR 93 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2yub n SER 94 N -0.28 3.67 -4.49 3.42 2.88 -1.26 -4.01 113.62 113.55 2yub n SER 94 Ca 0.52 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.80 2yub n SER 94 Cb 0.26 0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.85 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yub s GLN 95 N -1.80 1.90 -0.07 -1.46 0.00 -1.26 -4.48 119.66 112.48 2yub s GLN 95 Ca 0.00 -2.12 -0.29 0.00 -0.00 0.00 0.00 55.36 52.95 2yub s GLN 95 Cb 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 33.01 31.79 2yub s GLN 95 CO 0.00 -0.24 1.92 0.99 0.00 0.00 0.00 175.29 177.96 2yub s THR 96 N -3.04 3.20 -0.21 3.63 2.01 -1.26 -3.34 115.64 116.63 2yub s THR 96 Ca 0.27 0.23 -0.13 0.00 0.31 0.00 0.00 61.69 62.38 2yub s THR 96 Cb 0.06 -3.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2yub s THR 96 CO 0.13 -0.05 0.25 -0.22 -0.69 0.00 0.00 174.62 174.04 2yub s LEU 97 N 5.32 4.17 -0.06 4.42 2.96 0.07 -4.90 118.68 130.65 2yub s LEU 97 Ca 0.86 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 55.07 2yub s LEU 97 Cb -0.37 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.01 2yub s LEU 97 CO 0.37 0.05 0.08 -1.10 -1.32 0.00 0.00 176.35 174.43 2yub s GLN 98 N 0.91 3.18 -0.05 1.98 -0.21 -1.26 -2.91 119.66 121.30 2yub s GLN 98 Ca 0.13 -0.35 0.00 0.00 0.02 0.00 0.00 55.36 55.16 2yub s GLN 98 Cb -0.13 -2.95 0.02 0.00 1.00 0.00 0.00 33.01 30.95 2yub s GLN 98 CO 0.04 0.70 -0.02 -0.51 -2.12 0.00 0.00 175.29 173.39 2yub s LEU 99 N -1.30 1.07 -0.30 2.90 1.43 -0.44 -1.72 118.68 120.33 2yub s LEU 99 Ca 0.18 -0.09 -0.11 0.00 -1.03 0.00 0.00 54.13 53.08 2yub s LEU 99 Cb -0.12 -0.39 -0.04 0.00 0.03 0.00 0.00 46.19 45.67 2yub s LEU 99 CO 0.08 -0.11 0.20 -0.22 0.23 0.00 0.00 176.35 176.53 2yub s LEU 100 N 1.25 4.16 0.17 1.79 2.96 -0.85 -1.88 118.68 126.27 2yub s LEU 100 Ca -0.06 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.71 2yub s LEU 100 Cb -0.14 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 2yub s LEU 100 CO -0.02 -0.12 0.20 -0.63 -1.32 0.00 0.00 176.35 174.46 2yub s ILE 101 N 1.73 4.79 0.08 6.68 -1.09 0.19 -2.38 121.20 131.20 2yub s ILE 101 Ca 0.07 -0.96 0.08 0.00 -2.23 0.00 0.00 60.65 57.60 2yub s ILE 101 Cb -0.16 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2yub s ILE 101 CO 0.10 -0.12 -0.16 -0.70 -1.23 0.00 0.00 174.94 172.83 2yub s GLU 102 N -3.21 1.99 -0.22 2.79 -6.30 -1.25 -1.49 118.70 111.02 2yub s GLU 102 Ca 0.32 -1.06 -0.01 0.00 -2.50 0.00 0.00 54.97 51.72 2yub s GLU 102 Cb -0.10 -2.19 0.06 0.00 0.00 0.00 0.00 34.13 31.90 2yub s GLU 102 CO 0.25 0.51 0.01 -1.58 0.02 0.00 0.00 175.26 174.48 2yub s HIS 103 N -1.07 1.55 0.14 5.30 5.65 -0.30 -4.76 115.29 121.81 2yub s HIS 103 Ca 0.17 -1.24 0.09 0.00 0.25 0.00 0.00 55.06 54.34 2yub s HIS 103 Cb -0.11 -1.27 -0.04 0.00 -1.18 0.00 0.00 32.58 29.98 2yub s HIS 103 CO 0.09 -0.69 -0.16 0.16 -0.65 0.00 0.00 174.74 173.49 2yub s ASP 104 N 1.68 3.97 0.47 9.88 1.47 -1.26 -3.20 116.67 129.67 2yub s ASP 104 Ca -0.02 -0.58 0.25 0.00 1.18 0.00 0.00 52.55 53.39 2yub s ASP 104 Cb -0.18 -0.58 1.08 0.00 -0.34 0.00 0.00 42.92 42.90 2yub s ASP 104 CO -0.08 0.16 1.90 1.55 0.68 0.00 0.00 175.17 179.37 2yub h PRO 105 N 3.50 0.00 -4.97 2.11 0.13 -2.01 -3.48 132.00 127.29 2yub h PRO 105 Ca -0.49 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.46 2yub h PRO 105 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2yub h PRO 105 CO 0.48 0.19 -0.79 1.55 -0.23 0.00 0.00 178.00 179.21 2yub n VAL 106 N -3.43 -2.18 -2.14 1.56 3.14 -1.26 -4.76 118.33 109.25 2yub n VAL 106 Ca -0.00 0.15 -0.43 0.00 -2.96 0.00 0.00 64.34 61.10 2yub n VAL 106 Cb 0.38 -2.27 -0.03 0.00 -1.06 0.00 0.00 33.84 30.86 2yub n VAL 106 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2yub s PRO 107 N -1.33 4.13 -0.48 1.45 0.04 -1.26 -4.98 135.00 132.56 2yub s PRO 107 Ca 0.17 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.20 2yub s PRO 107 Cb -0.02 -3.93 0.12 0.00 0.04 0.00 0.00 34.50 30.71 2yub s PRO 107 CO 0.39 -0.88 0.22 -0.65 0.04 0.00 0.00 177.00 176.12 2yub s GLN 108 N 3.99 1.90 0.00 4.56 -0.21 -1.26 -4.83 119.66 123.81 2yub s GLN 108 Ca 0.68 -2.44 0.10 0.00 0.02 0.00 0.00 55.36 53.72 2yub s GLN 108 Cb -0.29 -3.33 0.16 0.00 1.00 0.00 0.00 33.01 30.56 2yub s GLN 108 CO 0.25 -1.07 0.99 2.89 -2.12 0.00 0.00 175.29 176.23 2yub n ARG 109 N 3.41 0.00 -0.82 2.91 1.85 -1.26 -4.91 116.66 117.85 2yub n ARG 109 Ca 0.05 -1.22 -0.16 0.00 -1.00 0.00 0.00 57.85 55.51 2yub n ARG 109 Cb 0.35 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 31.84 2yub n ARG 109 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2yub n LEU 110 N 0.19 5.77 -2.99 2.89 0.00 -1.26 -4.93 117.00 116.67 2yub n LEU 110 Ca -0.05 -3.02 -0.00 0.00 0.00 0.00 0.00 56.01 52.94 2yub n LEU 110 Cb 0.84 -0.83 -0.00 0.00 0.00 0.00 0.00 43.42 43.43 2yub n LEU 110 CO -0.05 0.99 -0.49 -0.67 0.00 0.00 0.00 177.39 177.18 2yub n ASP 111 N -0.25 -7.03 -4.57 1.96 -0.08 -1.26 -4.70 116.55 100.63 2yub n ASP 111 Ca 0.36 0.85 -0.28 0.00 -1.51 0.00 0.00 54.79 54.20 2yub n ASP 111 Cb 0.96 -3.12 -0.05 0.00 2.34 0.00 0.00 41.12 41.24 2yub n ASP 111 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 2yub s GLN 112 N -1.21 2.57 0.24 -0.67 -0.21 -1.26 -4.67 119.66 114.46 2yub s GLN 112 Ca -0.01 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.70 2yub s GLN 112 Cb 0.00 -5.15 0.00 0.00 1.00 0.00 0.00 33.01 28.86 2yub s GLN 112 CO 0.32 -3.57 0.00 0.45 -2.12 0.00 0.00 175.29 170.37 2yub n SER 113 N 13.95 -3.96 -0.91 5.90 2.88 -1.26 -5.04 113.62 125.18 2yub n SER 113 Ca 0.42 0.68 0.11 0.00 -1.33 0.00 0.00 58.87 58.75 2yub n SER 113 Cb 0.47 -1.58 -0.06 0.00 -0.75 0.00 0.00 64.21 62.29 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 114 N -1.49 -3.02 0.25 0.46 0.00 -1.26 -4.96 105.19 95.16 2yub n GLY 114 Ca 0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 2yub n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yub n PRO 115 N -3.51 -1.18 -0.21 1.61 -0.04 -1.26 -4.93 135.00 125.49 2yub n PRO 115 Ca -0.06 -0.13 -0.04 0.00 -0.04 0.00 0.00 63.50 63.24 2yub n PRO 115 Cb 0.43 -0.12 0.13 0.00 -0.04 0.00 0.00 33.50 33.91 2yub n PRO 115 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2yub h SER 116 N -1.15 0.93 -3.43 3.54 0.02 -1.98 -3.45 113.55 108.04 2yub h SER 116 Ca -0.03 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2yub h SER 116 Cb 0.09 -0.24 -0.23 0.00 0.14 0.00 0.00 62.40 62.16 2yub h SER 116 CO 0.02 0.87 0.20 -0.55 -1.14 0.00 0.00 176.83 176.22 2yub s SER 117 N -6.48 -0.71 0.00 3.07 0.15 -1.26 -5.17 113.70 103.30 2yub s SER 117 Ca -0.11 1.28 0.10 0.00 0.70 0.00 0.00 55.95 57.92 2yub s SER 117 Cb 0.16 1.30 0.08 0.00 -1.71 0.00 0.00 66.02 65.84 2yub s SER 117 CO 0.82 -0.21 0.81 0.61 1.20 0.00 0.00 173.24 176.47