#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yub n SER 2 N 0.00 -6.25 -2.63 1.61 2.88 -1.26 -2.49 113.62 105.49 2yub n SER 2 Ca 0.00 -0.53 -0.08 0.00 -1.33 0.00 0.00 58.87 56.93 2yub n SER 2 Cb 0.00 -4.67 -0.01 0.00 -0.75 0.00 0.00 64.21 58.79 2yub n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 3 N -2.80 -2.24 0.00 -3.46 7.64 -1.26 -4.60 113.62 106.90 2yub n SER 3 Ca -0.05 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.09 2yub n SER 3 Cb 0.59 -1.98 0.00 0.00 -1.01 0.00 0.00 64.21 61.80 2yub n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yub n GLY 4 N -0.68 2.64 3.53 0.23 0.00 -1.04 -4.83 105.19 105.05 2yub n GLY 4 Ca -0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 2yub n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yub s SER 5 N -4.00 -0.30 0.41 1.61 1.04 -1.26 -5.02 113.70 106.18 2yub s SER 5 Ca 0.00 -0.01 -0.05 0.00 0.48 0.00 0.00 55.95 56.37 2yub s SER 5 Cb 0.00 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2yub s SER 5 CO 0.00 -0.53 0.69 -0.55 0.98 0.00 0.00 173.24 173.84 2yub s SER 6 N -2.42 6.35 0.00 7.02 0.15 -1.26 -5.08 113.70 118.45 2yub s SER 6 Ca 0.06 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.55 2yub s SER 6 Cb -0.01 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.10 2yub s SER 6 CO -0.08 -0.42 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2yub n GLY 7 N -1.76 1.45 0.79 9.45 0.00 -1.26 -5.04 105.19 108.83 2yub n GLY 7 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.34 2yub n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yub n VAL 8 N -0.31 0.00 -3.73 1.61 0.31 -1.26 -5.04 118.33 109.91 2yub n VAL 8 Ca 0.00 -0.29 -0.38 0.00 -0.01 0.00 0.00 64.34 63.67 2yub n VAL 8 Cb 0.00 0.63 -0.12 0.00 -0.91 0.00 0.00 33.84 33.44 2yub n VAL 8 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2yub s GLN 9 N 0.00 2.42 -0.05 5.55 0.74 -1.26 -5.06 119.66 122.00 2yub s GLN 9 Ca 0.10 -1.46 -0.14 0.00 0.05 0.00 0.00 55.36 53.91 2yub s GLN 9 Cb 0.11 -3.56 0.03 0.00 1.10 0.00 0.00 33.01 30.69 2yub s GLN 9 CO -0.05 -0.87 0.31 0.34 -0.55 0.00 0.00 175.29 174.48 2yub s ASP 10 N 1.75 -0.24 -0.11 6.67 -1.08 -1.26 -5.15 116.67 117.25 2yub s ASP 10 Ca 0.02 0.27 -0.03 0.00 -0.52 0.00 0.00 52.55 52.28 2yub s ASP 10 Cb -0.22 0.43 0.05 0.00 -1.46 0.00 0.00 42.92 41.73 2yub s ASP 10 CO 0.00 -0.34 0.13 -1.58 0.52 0.00 0.00 175.17 173.91 2yub s GLN 11 N -0.84 0.03 0.40 4.34 -0.44 -1.26 -5.14 119.66 116.75 2yub s GLN 11 Ca -0.09 0.34 -0.24 0.00 -2.50 0.00 0.00 55.36 52.87 2yub s GLN 11 Cb -0.04 -0.76 -0.09 0.00 -1.64 0.00 0.00 33.01 30.47 2yub s GLN 11 CO 0.03 -0.43 1.04 -0.48 0.50 0.00 0.00 175.29 175.95 2yub s LEU 12 N 2.24 4.14 0.29 3.68 0.05 -1.26 -5.01 118.68 122.81 2yub s LEU 12 Ca 0.04 2.02 -0.29 0.00 0.05 0.00 0.00 54.13 55.94 2yub s LEU 12 Cb -0.13 -4.19 -0.10 0.00 -2.05 0.00 0.00 46.19 39.72 2yub s LEU 12 CO -0.07 -0.48 1.25 -2.16 -0.55 0.00 0.00 176.35 174.34 2yub s PRO 13 N -2.51 4.45 0.05 1.48 0.04 -1.26 -4.74 135.00 132.51 2yub s PRO 13 Ca 0.58 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.68 2yub s PRO 13 Cb -0.21 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2yub s PRO 13 CO 0.27 -0.08 0.00 0.98 0.04 0.00 0.00 177.00 178.21 2yub n TYR 14 N 1.30 -0.71 -4.29 0.56 9.36 -1.26 -5.07 117.16 117.05 2yub n TYR 14 Ca 0.01 0.39 -0.16 0.00 3.32 0.00 0.00 57.90 61.46 2yub n TYR 14 Cb 0.43 -1.96 -0.10 0.00 -0.63 0.00 0.00 39.34 37.08 2yub n TYR 14 CO 0.00 0.00 0.00 -1.12 0.22 0.00 0.00 176.86 175.96 2yub s SER 15 N -0.81 1.83 0.01 2.98 0.01 -0.83 -5.03 113.70 111.87 2yub s SER 15 Ca 0.00 -1.12 -0.02 0.00 1.31 0.00 0.00 55.95 56.13 2yub s SER 15 Cb 0.00 -0.00 -0.01 0.00 0.21 0.00 0.00 66.02 66.22 2yub s SER 15 CO 0.00 -0.42 0.01 -0.69 0.41 0.00 0.00 173.24 172.56 2yub s VAL 16 N -3.37 0.09 0.01 3.43 1.01 -1.26 -2.89 120.40 117.42 2yub s VAL 16 Ca 0.23 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2yub s VAL 16 Cb 0.04 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 2yub s VAL 16 CO 0.05 -0.39 -0.12 -0.89 0.00 0.00 0.00 175.10 173.74 2yub s THR 17 N -1.18 0.98 0.06 3.92 2.01 -1.05 -4.99 115.64 115.39 2yub s THR 17 Ca -0.13 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.21 2yub s THR 17 Cb -0.08 -0.86 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2yub s THR 17 CO -0.00 0.13 -0.15 -0.22 -0.69 0.00 0.00 174.62 173.69 2yub s LEU 18 N -0.67 2.24 -0.01 4.42 2.96 -1.26 -1.20 118.68 125.15 2yub s LEU 18 Ca 0.03 -0.56 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 2yub s LEU 18 Cb -0.06 -0.62 -0.01 0.00 0.50 0.00 0.00 46.19 46.00 2yub s LEU 18 CO 0.00 -0.01 -0.13 0.27 -1.32 0.00 0.00 176.35 175.17 2yub s ILE 19 N -1.08 1.01 -0.28 6.68 -0.00 -0.79 -4.95 121.20 121.79 2yub s ILE 19 Ca 0.01 -0.53 -0.02 0.00 -0.00 0.00 0.00 60.65 60.11 2yub s ILE 19 Cb -0.09 -0.85 0.09 0.00 -0.00 0.00 0.00 42.46 41.61 2yub s ILE 19 CO 0.02 0.29 0.10 -0.94 -0.00 0.00 0.00 174.94 174.41 2yub s SER 20 N -0.20 3.70 0.04 4.36 1.04 -1.26 -2.11 113.70 119.27 2yub s SER 20 Ca 0.03 -1.40 0.08 0.00 0.48 0.00 0.00 55.95 55.14 2yub s SER 20 Cb -0.06 -0.68 -0.02 0.00 0.10 0.00 0.00 66.02 65.36 2yub s SER 20 CO -0.00 -0.40 -0.22 -0.04 0.98 0.00 0.00 173.24 173.55 2yub s MET 21 N 1.79 1.54 0.83 4.02 1.00 -1.18 -4.96 119.30 122.33 2yub s MET 21 Ca 0.08 -0.96 -0.11 0.00 0.00 0.00 0.00 55.69 54.70 2yub s MET 21 Cb -0.17 -1.64 0.09 0.00 0.00 0.00 0.00 34.83 33.11 2yub s MET 21 CO -0.26 0.43 1.09 -1.25 0.00 0.00 0.00 175.02 175.03 2yub s PRO 22 N -1.10 1.78 0.00 2.03 0.04 -1.26 0.19 135.00 136.68 2yub s PRO 22 Ca 0.09 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.13 2yub s PRO 22 Cb -0.09 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2yub s PRO 22 CO 0.01 -1.93 0.00 0.00 0.04 0.00 0.00 177.00 175.12 2yub n ALA 23 N -3.70 0.00 -1.80 8.56 0.00 -1.12 -4.68 120.51 117.77 2yub n ALA 23 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2yub n ALA 23 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2yub n ALA 23 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 24 N -0.09 0.00 0.00 0.00 -2.24 -1.26 -4.98 114.28 105.71 2yub n THR 24 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2yub n THR 24 Cb 0.00 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 2yub n THR 24 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2yub n THR 25 N 0.00 0.00 -3.17 4.28 -1.04 -1.21 -4.81 114.28 108.33 2yub n THR 25 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.05 61.79 2yub n THR 25 Cb 0.55 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.07 2yub n THR 25 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2yub s GLU 26 N 0.00 3.15 -0.43 -2.82 2.02 -1.26 -4.66 118.70 114.71 2yub s GLU 26 Ca 0.00 -0.58 -0.27 0.00 0.02 0.00 0.00 54.97 54.14 2yub s GLU 26 Cb 0.00 -2.64 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2yub s GLU 26 CO 0.00 -0.12 1.98 0.00 0.02 0.00 0.00 175.26 177.14 2yub n ARG 28 N 8.79 0.00 -2.02 0.00 1.74 -1.26 -5.14 116.66 118.78 2yub n ARG 28 Ca 0.25 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.32 2yub n ARG 28 Cb 0.49 -0.36 -0.02 0.00 -1.02 0.00 0.00 32.46 31.56 2yub n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2yub n ARG 29 N -3.11 -3.11 0.07 5.56 3.00 -1.26 -4.87 116.66 112.94 2yub n ARG 29 Ca 0.00 2.48 0.12 0.00 -0.01 0.00 0.00 57.85 60.44 2yub n ARG 29 Cb 0.22 -3.38 0.46 0.00 0.00 0.00 0.00 32.46 29.76 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 1.12 -1.39 3.51 -0.13 0.00 -1.26 -4.80 105.19 102.24 2yub n GLY 30 Ca -0.14 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.13 -0.64 0.53 1.61 -0.71 -1.26 -2.30 117.98 112.08 2yub s PHE 31 Ca 0.09 1.33 0.03 0.00 -1.04 0.00 0.00 56.93 57.34 2yub s PHE 31 Cb 0.12 0.30 0.03 0.00 -1.21 0.00 0.00 43.02 42.27 2yub s PHE 31 CO 0.45 -0.46 0.73 -1.12 -1.34 0.00 0.00 175.22 173.48 2yub s SER 32 N -0.48 5.32 0.25 1.98 0.01 -1.17 -5.03 113.70 114.58 2yub s SER 32 Ca -0.06 -0.17 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 2yub s SER 32 Cb -0.03 -0.72 -0.01 0.00 0.21 0.00 0.00 66.02 65.47 2yub s SER 32 CO 0.05 -1.09 0.40 0.68 0.41 0.00 0.00 173.24 173.69 2yub s VAL 33 N -2.67 0.00 -0.05 3.43 -7.23 -1.26 -3.53 120.40 109.08 2yub s VAL 33 Ca 0.57 -1.57 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2yub s VAL 33 Cb -0.10 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.52 2yub s VAL 33 CO 0.37 0.00 -0.19 -0.89 -0.31 0.00 0.00 175.10 174.08 2yub s THR 34 N -3.95 1.61 -0.12 5.32 2.01 -0.56 -4.77 115.64 115.17 2yub s THR 34 Ca 0.27 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.47 2yub s THR 34 Cb 0.01 -1.38 0.02 0.00 0.01 0.00 0.00 72.50 71.16 2yub s THR 34 CO 0.11 0.46 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 2yub s VAL 35 N 0.07 1.30 -0.06 3.82 1.01 -1.26 -3.01 120.40 122.26 2yub s VAL 35 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2yub s VAL 35 Cb -0.13 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 35.01 2yub s VAL 35 CO 0.03 0.41 -0.16 -1.61 0.00 0.00 0.00 175.10 173.77 2yub s GLU 36 N 1.41 1.97 -1.05 2.72 0.41 -1.11 -5.05 118.70 118.01 2yub s GLU 36 Ca 0.01 -0.57 -0.05 0.00 -0.41 0.00 0.00 54.97 53.95 2yub s GLU 36 Cb -0.13 -1.62 0.28 0.00 -1.78 0.00 0.00 34.13 30.88 2yub s GLU 36 CO -0.07 0.13 1.20 -1.13 -0.49 0.00 0.00 175.26 174.90 2yub n SER 37 N 3.52 5.61 0.15 -0.19 3.41 -1.26 -3.02 113.62 121.84 2yub n SER 37 Ca -0.20 -3.22 0.03 0.00 -0.26 0.00 0.00 58.87 55.21 2yub n SER 37 Cb 0.52 -1.25 0.41 0.00 -0.26 0.00 0.00 64.21 63.63 2yub n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub h ALA 38 N 5.94 1.54 -2.49 7.33 0.00 -1.93 -3.45 119.26 126.19 2yub h ALA 38 Ca 0.19 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 2yub h ALA 38 Cb 0.75 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.32 2yub h ALA 38 CO 1.11 0.34 -0.44 -1.12 0.00 0.00 0.00 179.25 179.14 2yub s SER 39 N -6.92 0.16 0.43 0.00 0.01 -1.26 -5.12 113.70 101.00 2yub s SER 39 Ca -0.05 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2yub s SER 39 Cb 0.15 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2yub s SER 39 CO 0.72 -0.65 0.00 -1.20 0.41 0.00 0.00 173.24 172.52 2yub n SER 40 N 0.22 -7.26 -0.18 2.44 7.64 -1.26 -4.26 113.62 110.95 2yub n SER 40 Ca -0.16 0.94 0.13 0.00 1.01 0.00 0.00 58.87 60.79 2yub n SER 40 Cb 0.61 -4.27 0.68 0.00 -1.01 0.00 0.00 64.21 60.22 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 -4.28 0.56 -4.79 6.43 2.85 -1.26 -4.85 115.26 109.93 2yub n ASN 41 Ca -0.04 -1.31 -0.22 0.00 -0.11 0.00 0.00 54.58 52.90 2yub n ASN 41 Cb 0.65 -0.01 -0.05 0.00 1.24 0.00 0.00 39.78 41.60 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2yub s TYR 42 N -1.97 2.76 1.04 1.20 1.13 -1.26 -4.32 117.35 115.93 2yub s TYR 42 Ca 0.39 -0.38 -0.15 0.00 -1.41 0.00 0.00 57.07 55.51 2yub s TYR 42 Cb 0.19 -1.76 0.08 0.00 -1.10 0.00 0.00 41.96 39.36 2yub s TYR 42 CO 0.31 0.23 0.24 0.00 -2.51 0.00 0.00 175.55 173.83 2yub n ALA 43 N -1.27 -3.32 0.00 9.51 0.00 -0.69 -4.71 120.51 120.03 2yub n ALA 43 Ca -0.02 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.48 2yub n ALA 43 Cb 0.61 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2yub n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 44 N -4.03 0.00 -4.70 0.00 -2.24 -1.20 -4.48 114.28 97.62 2yub n THR 44 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 2yub n THR 44 Cb 0.58 -0.21 -0.15 0.00 -2.10 0.00 0.00 70.33 68.45 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2yub s THR 45 N -1.69 1.28 -0.06 4.28 2.01 -1.17 -4.69 115.64 115.59 2yub s THR 45 Ca 0.00 -0.76 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 2yub s THR 45 Cb 0.00 -1.08 0.03 0.00 0.01 0.00 0.00 72.50 71.46 2yub s THR 45 CO 0.00 0.31 0.15 -0.69 -0.69 0.00 0.00 174.62 173.69 2yub s VAL 46 N -0.46 -0.02 0.03 3.82 1.01 -1.26 -2.73 120.40 120.79 2yub s VAL 46 Ca 0.06 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 2yub s VAL 46 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 2yub s VAL 46 CO -0.00 0.03 0.02 -1.10 0.00 0.00 0.00 175.10 174.05 2yub s GLN 47 N 0.60 0.47 -0.56 2.72 -0.21 -1.16 -3.48 119.66 118.03 2yub s GLN 47 Ca -0.04 -0.77 -0.26 0.00 0.02 0.00 0.00 55.36 54.31 2yub s GLN 47 Cb -0.06 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.16 2yub s GLN 47 CO -0.03 -0.10 1.03 0.08 -2.12 0.00 0.00 175.29 174.16 2yub s VAL 48 N -2.33 4.25 0.04 1.09 1.01 -1.02 -1.49 120.40 121.95 2yub s VAL 48 Ca -0.08 0.53 -0.29 0.00 0.00 0.00 0.00 61.98 62.14 2yub s VAL 48 Cb -0.03 -4.61 -0.16 0.00 0.00 0.00 0.00 36.38 31.58 2yub s VAL 48 CO -0.04 -1.19 1.32 0.50 0.00 0.00 0.00 175.10 175.70 2yub h LYS 49 N 9.39 -1.01 -4.12 2.72 3.64 -1.86 -2.82 116.57 122.51 2yub h LYS 49 Ca -0.26 0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.05 2yub h LYS 49 Cb 1.07 0.23 -0.13 0.00 -0.41 0.00 0.00 32.23 32.98 2yub h LYS 49 CO 1.12 -0.67 -0.44 -1.21 -2.27 0.00 0.00 179.45 175.98 2yub s GLU 50 N -5.12 1.13 -0.05 1.90 0.41 -1.26 -4.64 118.70 111.07 2yub s GLU 50 Ca -0.15 -1.32 -0.03 0.00 -0.41 0.00 0.00 54.97 53.06 2yub s GLU 50 Cb 0.02 0.33 0.03 0.00 -1.78 0.00 0.00 34.13 32.73 2yub s GLU 50 CO 0.46 -0.39 0.12 0.08 -0.49 0.00 0.00 175.26 175.04 2yub s VAL 51 N -4.02 -0.04 -0.14 2.63 1.01 -1.26 -3.07 120.40 115.52 2yub s VAL 51 Ca 0.23 0.13 -0.02 0.00 0.00 0.00 0.00 61.98 62.31 2yub s VAL 51 Cb 0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 36.38 36.20 2yub s VAL 51 CO 0.03 0.05 -0.07 0.21 0.00 0.00 0.00 175.10 175.33 2yub s ASN 52 N 0.82 4.57 0.23 3.32 3.84 -0.97 -4.94 114.94 121.80 2yub s ASN 52 Ca -0.06 -0.17 0.19 0.00 0.21 0.00 0.00 52.86 53.03 2yub s ASN 52 Cb -0.08 -1.66 0.05 0.00 -0.55 0.00 0.00 41.25 39.01 2yub s ASN 52 CO -0.04 0.19 1.20 0.03 -2.79 0.00 0.00 177.10 175.70 2yub h ARG 53 N 6.51 0.00 -0.16 0.43 -0.00 -1.86 -2.58 114.38 116.72 2yub h ARG 53 Ca -0.32 0.00 -0.06 0.00 -0.50 0.00 0.00 59.98 59.10 2yub h ARG 53 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.15 2yub h ARG 53 CO 0.60 0.22 -0.17 0.52 0.00 0.00 0.00 179.97 181.13 2yub h MET 54 N 0.00 0.26 0.05 0.04 2.86 -1.94 -3.22 114.93 112.98 2yub h MET 54 Ca -0.05 -0.07 -0.37 0.00 -2.06 0.00 0.00 59.70 57.15 2yub h MET 54 Cb 1.27 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 32.85 2yub h MET 54 CO 0.03 0.43 -2.14 0.72 1.06 0.00 0.00 176.91 177.01 2yub n HIS 55 N -4.23 0.65 -2.94 -0.22 8.25 -1.24 -4.95 115.22 110.53 2yub n HIS 55 Ca -0.01 0.16 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 2yub n HIS 55 Cb 0.30 -1.08 -0.06 0.00 1.12 0.00 0.00 29.99 30.27 2yub n HIS 55 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2yub s ILE 56 N -2.52 4.52 0.66 1.59 1.01 -0.97 -4.92 121.20 120.58 2yub s ILE 56 Ca -0.29 1.23 -0.18 0.00 0.00 0.00 0.00 60.65 61.41 2yub s ILE 56 Cb 0.08 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 2yub s ILE 56 CO 0.66 -0.28 1.22 -1.54 0.00 0.00 0.00 174.94 175.00 2yub n SER 57 N -0.57 1.72 0.02 3.58 3.41 -1.26 -4.66 113.62 115.86 2yub n SER 57 Ca 0.05 0.80 0.08 0.00 -0.26 0.00 0.00 58.87 59.54 2yub n SER 57 Cb 0.54 -1.52 0.33 0.00 -0.26 0.00 0.00 64.21 63.30 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2yub n PRO 58 N -1.89 0.03 -0.12 4.33 -0.04 -1.26 -1.75 135.00 134.31 2yub n PRO 58 Ca 0.15 0.28 -0.23 0.00 -0.04 0.00 0.00 63.50 63.67 2yub n PRO 58 Cb 0.48 -1.56 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 2yub n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2yub n ASN 59 N -1.62 1.80 0.11 3.54 4.13 -1.26 -4.42 115.26 117.54 2yub n ASN 59 Ca 0.03 0.19 0.02 0.00 1.68 0.00 0.00 54.58 56.51 2yub n ASN 59 Cb 0.18 -0.61 0.39 0.00 -1.54 0.00 0.00 39.78 38.19 2yub n ASN 59 CO 0.00 0.00 0.00 0.78 0.28 0.00 0.00 177.26 178.32 2yub h ASN 60 N -0.65 0.25 0.48 6.41 2.35 -1.93 -1.44 115.58 121.05 2yub h ASN 60 Ca -0.57 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 2yub h ASN 60 Cb 1.58 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 39.88 2yub h ASN 60 CO -0.30 0.39 0.00 0.08 -1.65 0.00 0.00 177.43 175.95 2yub h ARG 61 N 0.25 0.00 0.00 0.81 0.11 -1.57 -1.66 114.38 112.32 2yub h ARG 61 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2yub h ARG 61 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 2yub h ARG 61 CO 0.02 0.00 0.00 0.27 0.10 0.00 0.00 179.97 180.36 2yub n ASN 62 N -2.29 0.00 -0.08 0.08 0.23 -0.54 -3.47 115.26 109.19 2yub n ASN 62 Ca 0.01 -0.52 -0.12 0.00 -0.53 0.00 0.00 54.58 53.41 2yub n ASN 62 Cb 0.16 -0.12 -0.07 0.00 -2.08 0.00 0.00 39.78 37.67 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yub n ALA 63 N -1.12 1.73 -2.63 -2.53 0.00 -0.63 -5.02 120.51 110.31 2yub n ALA 63 Ca 0.17 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.66 2yub n ALA 63 Cb 0.14 0.18 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 2yub n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2yub s ILE 64 N -2.31 5.11 0.03 0.00 2.07 -1.22 -4.99 121.20 119.90 2yub s ILE 64 Ca -0.21 -0.06 -0.26 0.00 -1.41 0.00 0.00 60.65 58.71 2yub s ILE 64 Cb 0.06 -3.70 0.06 0.00 0.13 0.00 0.00 42.46 39.02 2yub s ILE 64 CO 0.34 -0.16 0.60 -1.00 -1.91 0.00 0.00 174.94 172.81 2yub s HIS 65 N -1.89 -0.55 -0.62 3.50 3.76 -1.26 -4.83 115.29 113.40 2yub s HIS 65 Ca 0.42 0.72 -0.26 0.00 -0.15 0.00 0.00 55.06 55.78 2yub s HIS 65 Cb -0.11 0.42 -0.02 0.00 1.11 0.00 0.00 32.58 33.98 2yub s HIS 65 CO 0.28 -0.67 1.86 -1.25 -0.85 0.00 0.00 174.74 174.11 2yub s PRO 66 N -2.18 2.62 0.00 8.40 0.04 -1.26 -2.71 135.00 139.91 2yub s PRO 66 Ca -0.06 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2yub s PRO 66 Cb -0.01 -4.40 0.00 0.00 0.04 0.00 0.00 34.50 30.14 2yub s PRO 66 CO 0.01 -2.75 0.00 0.41 0.04 0.00 0.00 177.00 174.71 2yub n GLY 67 N 5.72 0.56 3.29 0.56 0.00 -1.06 -5.00 105.19 109.26 2yub n GLY 67 Ca 0.21 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.98 2yub n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yub n ASP 68 N 0.00 0.10 -3.86 1.61 9.92 -1.10 -4.86 116.55 118.37 2yub n ASP 68 Ca 0.00 -1.42 -0.25 0.00 -0.53 0.00 0.00 54.79 52.59 2yub n ASP 68 Cb 0.00 -0.86 -0.17 0.00 -0.64 0.00 0.00 41.12 39.45 2yub n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yub s ARG 69 N -5.47 1.20 0.14 -1.24 1.70 -1.26 -2.43 118.95 111.58 2yub s ARG 69 Ca 0.64 -0.13 -0.30 0.00 -0.47 0.00 0.00 55.73 55.47 2yub s ARG 69 Cb -0.02 -1.36 -0.07 0.00 -0.57 0.00 0.00 34.95 32.93 2yub s ARG 69 CO 0.45 -0.28 1.24 0.42 -1.08 0.00 0.00 175.30 176.06 2yub s ILE 70 N 1.78 3.62 -0.22 4.99 1.01 -1.23 -3.77 121.20 127.39 2yub s ILE 70 Ca 0.05 1.26 0.02 0.00 0.00 0.00 0.00 60.65 61.98 2yub s ILE 70 Cb -0.12 -3.81 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 2yub s ILE 70 CO -0.07 0.15 -0.05 0.18 0.00 0.00 0.00 174.94 175.16 2yub n LEU 71 N 3.17 2.52 -4.17 2.97 4.77 -1.22 -4.72 117.00 120.32 2yub n LEU 71 Ca 0.07 -0.04 -0.14 0.00 -0.03 0.00 0.00 56.01 55.87 2yub n LEU 71 Cb 0.45 -0.77 -0.08 0.00 -2.33 0.00 0.00 43.42 40.69 2yub n LEU 71 CO 0.56 0.86 -0.08 -1.61 -1.33 0.00 0.00 177.39 175.79 2yub s GLU 72 N -2.53 1.53 -0.22 3.23 2.02 -1.26 -2.82 118.70 118.65 2yub s GLU 72 Ca -0.29 -1.71 -0.04 0.00 0.02 0.00 0.00 54.97 52.96 2yub s GLU 72 Cb 0.08 0.35 0.11 0.00 0.10 0.00 0.00 34.13 34.77 2yub s GLU 72 CO 0.67 -0.57 0.35 0.42 0.02 0.00 0.00 175.26 176.15 2yub s ILE 73 N -3.74 -0.56 -0.79 -1.63 1.01 -0.32 -2.98 121.20 112.19 2yub s ILE 73 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 60.65 61.01 2yub s ILE 73 Cb 0.03 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2yub s ILE 73 CO 0.17 -0.07 0.00 0.59 0.00 0.00 0.00 174.94 175.63 2yub n ASN 74 N 5.36 -4.37 -0.12 3.58 3.02 -1.12 -2.87 115.26 118.75 2yub n ASN 74 Ca -0.05 0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 2yub n ASN 74 Cb 0.50 -2.52 0.00 0.00 -0.61 0.00 0.00 39.78 37.14 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 -1.45 1.13 2.98 7.41 0.00 -1.26 -5.02 105.19 108.99 2yub n GLY 75 Ca -0.07 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.23 0.05 0.13 2.61 -4.23 -1.14 -5.14 115.64 105.69 2yub s THR 76 Ca 0.00 -0.39 -0.31 0.00 -1.18 0.00 0.00 61.69 59.81 2yub s THR 76 Cb 0.00 -0.21 -0.08 0.00 1.34 0.00 0.00 72.50 73.55 2yub s THR 76 CO 0.00 -0.21 1.35 -2.16 -0.54 0.00 0.00 174.62 173.05 2yub s PRO 77 N -0.66 4.35 0.01 3.99 0.04 -1.26 -1.17 135.00 140.30 2yub s PRO 77 Ca -0.07 2.03 0.26 0.00 0.04 0.00 0.00 61.00 63.26 2yub s PRO 77 Cb -0.05 -3.24 0.67 0.00 0.04 0.00 0.00 34.50 31.92 2yub s PRO 77 CO 0.00 -0.37 1.53 1.33 0.04 0.00 0.00 177.00 179.54 2yub n VAL 78 N 3.60 0.03 1.17 -0.36 0.24 -1.13 -2.14 118.33 119.74 2yub n VAL 78 Ca 0.10 -0.02 0.14 0.00 -2.04 0.00 0.00 64.34 62.52 2yub n VAL 78 Cb 0.43 0.04 0.62 0.00 -1.47 0.00 0.00 33.84 33.46 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 -1.54 0.21 0.00 7.34 1.85 -1.26 -4.06 116.66 119.20 2yub n ARG 79 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 2yub n ARG 79 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 2yub n THR 80 N -1.37 0.00 -0.99 8.89 -2.24 -1.23 -4.70 114.28 112.64 2yub n THR 80 Ca 0.10 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.53 2yub n THR 80 Cb 0.30 -0.52 0.07 0.00 -2.10 0.00 0.00 70.33 68.08 2yub n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yub n LEU 81 N -2.06 -2.69 -4.82 3.22 4.77 -0.91 -4.59 117.00 109.92 2yub n LEU 81 Ca 0.00 0.34 -0.33 0.00 -0.03 0.00 0.00 56.01 55.99 2yub n LEU 81 Cb 0.39 -1.00 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 2yub n LEU 81 CO 0.00 -4.62 0.70 -0.13 -1.33 0.00 0.00 177.39 172.01 2yub s ARG 82 N -2.60 3.71 0.26 3.23 0.52 -1.26 -1.70 118.95 121.11 2yub s ARG 82 Ca 0.51 1.16 -0.03 0.00 -0.52 0.00 0.00 55.73 56.85 2yub s ARG 82 Cb -0.25 -2.09 0.39 0.00 0.52 0.00 0.00 34.95 33.52 2yub s ARG 82 CO 0.72 -0.48 1.88 0.28 0.02 0.00 0.00 175.30 177.72 2yub h VAL 83 N 0.98 1.10 0.00 3.52 2.07 -1.85 0.14 116.25 122.21 2yub h VAL 83 Ca -0.48 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 66.64 2yub h VAL 83 Cb 1.21 -0.18 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2yub h VAL 83 CO 0.59 0.21 0.00 1.05 0.02 0.00 0.00 177.57 179.45 2yub h GLU 84 N 1.17 0.00 0.00 1.57 4.11 -1.92 -3.17 114.58 116.34 2yub h GLU 84 Ca 0.42 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.85 2yub h GLU 84 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2yub h GLU 84 CO -0.17 0.00 -0.00 0.93 0.07 0.00 0.00 179.01 179.84 2yub h GLU 85 N 0.00 -0.01 -0.80 1.06 4.39 -1.44 -1.93 114.58 115.85 2yub h GLU 85 Ca 0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2yub h GLU 85 Cb 0.83 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.43 2yub h GLU 85 CO 0.00 0.85 0.52 0.28 -1.16 0.00 0.00 179.01 179.51 2yub h VAL 86 N -0.96 0.85 0.03 3.13 2.07 -1.12 -1.27 116.25 118.97 2yub h VAL 86 Ca -0.00 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2yub h VAL 86 Cb 0.86 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2yub h VAL 86 CO 0.00 0.10 -0.02 -0.33 0.02 0.00 0.00 177.57 177.35 2yub h GLU 87 N 0.57 -0.04 -1.02 1.57 4.39 -1.64 -3.31 114.58 115.09 2yub h GLU 87 Ca 0.39 0.00 0.26 0.00 0.34 0.00 0.00 59.36 60.36 2yub h GLU 87 Cb 0.70 0.01 -0.12 0.00 -0.10 0.00 0.00 28.75 29.24 2yub h GLU 87 CO -0.15 0.61 0.61 -0.44 -1.16 0.00 0.00 179.01 178.48 2yub h ASP 88 N -0.93 0.60 -0.30 1.42 3.32 -0.98 0.65 116.42 120.20 2yub h ASP 88 Ca -0.00 0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.24 2yub h ASP 88 Cb 0.67 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.25 2yub h ASP 88 CO 0.01 0.07 0.21 0.00 -1.72 0.00 0.00 179.24 177.81 2yub h ALA 89 N 1.72 2.15 0.00 3.45 0.00 -1.33 0.25 119.26 125.49 2yub h ALA 89 Ca 0.65 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.45 2yub h ALA 89 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2yub h ALA 89 CO -0.45 -0.22 -0.68 0.82 0.00 0.00 0.00 179.25 178.71 2yub h ILE 90 N 0.11 0.65 -0.22 0.00 1.08 0.19 -3.23 117.51 116.09 2yub h ILE 90 Ca 0.14 -1.97 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 2yub h ILE 90 Cb 0.42 2.24 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 2yub h ILE 90 CO -0.02 0.37 0.00 0.29 -0.69 0.00 0.00 178.15 178.10 2yub n LYS 91 N -3.10 2.27 -1.39 2.37 5.02 -0.08 -4.61 118.16 118.63 2yub n LYS 91 Ca -0.00 -1.89 -0.36 0.00 -2.02 0.00 0.00 58.31 54.04 2yub n LYS 91 Cb 0.73 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 34.22 2yub n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yub n GLN 92 N 1.16 3.64 -1.38 1.97 -0.00 0.68 -4.85 117.38 118.60 2yub n GLN 92 Ca 0.17 -2.28 -0.40 0.00 -0.00 0.00 0.00 57.00 54.50 2yub n GLN 92 Cb 0.54 -2.67 -0.06 0.00 -0.00 0.00 0.00 30.24 28.05 2yub n GLN 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 2yub n THR 93 N 3.11 1.82 0.00 -0.39 -2.24 -1.26 -3.88 114.28 111.45 2yub n THR 93 Ca 0.72 -1.68 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2yub n THR 93 Cb 0.31 -2.28 0.00 0.00 -2.10 0.00 0.00 70.33 66.27 2yub n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2yub n SER 94 N 9.25 0.00 -3.53 3.42 3.41 -1.26 -3.30 113.62 121.61 2yub n SER 94 Ca 0.48 0.01 -0.19 0.00 -0.26 0.00 0.00 58.87 58.91 2yub n SER 94 Cb 0.42 0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n GLN 95 N -2.62 1.16 -1.78 4.33 1.13 -1.25 -4.58 117.38 113.77 2yub n GLN 95 Ca 0.00 -2.25 -0.42 0.00 -1.94 0.00 0.00 57.00 52.39 2yub n GLN 95 Cb 0.10 0.70 -0.03 0.00 0.11 0.00 0.00 30.24 31.12 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2yub s THR 96 N -2.19 2.43 -0.36 5.09 2.01 -1.26 -2.81 115.64 118.56 2yub s THR 96 Ca 0.02 0.15 -0.13 0.00 0.31 0.00 0.00 61.69 62.04 2yub s THR 96 Cb 0.00 -3.10 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2yub s THR 96 CO 0.02 0.01 0.25 -0.22 -0.69 0.00 0.00 174.62 173.98 2yub s LEU 97 N 1.95 4.65 0.13 4.42 2.96 0.13 -4.92 118.68 127.99 2yub s LEU 97 Ca 0.76 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2yub s LEU 97 Cb -0.46 -2.14 -0.06 0.00 0.50 0.00 0.00 46.19 44.03 2yub s LEU 97 CO 0.34 -0.29 0.42 -1.58 -1.32 0.00 0.00 176.35 173.92 2yub s GLN 98 N 1.71 3.72 -0.05 1.98 0.74 -1.26 -3.13 119.66 123.37 2yub s GLN 98 Ca 0.06 0.11 -0.05 0.00 0.05 0.00 0.00 55.36 55.52 2yub s GLN 98 Cb -0.18 -2.89 0.01 0.00 1.10 0.00 0.00 33.01 31.06 2yub s GLN 98 CO 0.10 0.49 0.15 -0.51 -0.55 0.00 0.00 175.29 174.97 2yub s LEU 99 N -2.32 1.44 0.11 3.68 1.43 -0.89 -2.78 118.68 119.35 2yub s LEU 99 Ca 0.38 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 2yub s LEU 99 Cb -0.13 0.52 -0.04 0.00 0.03 0.00 0.00 46.19 46.57 2yub s LEU 99 CO 0.21 -0.07 0.18 -0.22 0.23 0.00 0.00 176.35 176.68 2yub s LEU 100 N 0.00 4.10 0.01 1.79 1.98 -1.16 -1.88 118.68 123.52 2yub s LEU 100 Ca -0.01 0.09 0.01 0.00 -2.89 0.00 0.00 54.13 51.33 2yub s LEU 100 Cb -0.01 -2.71 -0.01 0.00 0.66 0.00 0.00 46.19 44.12 2yub s LEU 100 CO 0.00 0.11 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.92 2yub s ILE 101 N -1.60 0.17 -0.20 6.68 -1.09 -0.34 -3.41 121.20 121.41 2yub s ILE 101 Ca 0.33 -0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 58.34 2yub s ILE 101 Cb -0.12 -0.20 -0.04 0.00 -1.58 0.00 0.00 42.46 40.53 2yub s ILE 101 CO 0.26 -0.11 0.05 -0.70 -1.23 0.00 0.00 174.94 173.21 2yub s GLU 102 N -0.46 3.85 -0.21 2.79 2.12 -1.25 -2.54 118.70 123.00 2yub s GLU 102 Ca -0.04 -0.40 -0.00 0.00 0.36 0.00 0.00 54.97 54.89 2yub s GLU 102 Cb -0.03 -3.21 0.05 0.00 0.26 0.00 0.00 34.13 31.21 2yub s GLU 102 CO -0.00 0.14 -0.04 -1.58 -0.54 0.00 0.00 175.26 173.24 2yub s HIS 103 N 0.71 1.95 0.17 5.30 2.46 -1.14 -4.81 115.29 119.94 2yub s HIS 103 Ca 0.03 -1.41 -0.04 0.00 0.47 0.00 0.00 55.06 54.11 2yub s HIS 103 Cb -0.13 -1.41 -0.05 0.00 -0.13 0.00 0.00 32.58 30.86 2yub s HIS 103 CO 0.02 -0.70 0.40 -0.51 -2.47 0.00 0.00 174.74 171.48 2yub s ASP 104 N 1.55 6.47 0.21 9.88 1.11 -1.26 -1.96 116.67 132.67 2yub s ASP 104 Ca -0.03 0.57 -0.02 0.00 0.18 0.00 0.00 52.55 53.25 2yub s ASP 104 Cb -0.18 -2.08 0.19 0.00 1.07 0.00 0.00 42.92 41.92 2yub s ASP 104 CO -0.07 0.00 1.58 1.55 1.18 0.00 0.00 175.17 179.41 2yub h PRO 105 N 2.52 0.58 -6.30 8.23 0.13 -1.96 -3.44 132.00 131.76 2yub h PRO 105 Ca -0.47 -0.30 -0.56 0.00 -0.87 0.00 0.00 66.00 63.80 2yub h PRO 105 Cb 1.17 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2yub h PRO 105 CO 0.71 0.90 -0.03 0.08 -0.23 0.00 0.00 178.00 179.43 2yub s VAL 106 N -4.22 4.74 0.48 1.56 1.01 -1.26 -5.06 120.40 117.65 2yub s VAL 106 Ca -0.08 1.13 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 2yub s VAL 106 Cb 0.12 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 2yub s VAL 106 CO 0.83 0.43 1.16 -2.16 0.00 0.00 0.00 175.10 175.35 2yub s PRO 107 N -1.45 3.67 -0.95 2.72 0.04 -1.26 -4.89 135.00 132.87 2yub s PRO 107 Ca 0.33 1.74 -0.25 0.00 0.04 0.00 0.00 61.00 62.86 2yub s PRO 107 Cb -0.18 -2.32 -0.09 0.00 0.04 0.00 0.00 34.50 31.95 2yub s PRO 107 CO 0.19 -0.62 2.06 -1.14 0.04 0.00 0.00 177.00 177.54 2yub s GLN 108 N -2.83 2.19 0.23 4.56 0.74 -1.26 -4.81 119.66 118.47 2yub s GLN 108 Ca 0.66 -0.31 -0.23 0.00 0.05 0.00 0.00 55.36 55.53 2yub s GLN 108 Cb -0.28 -5.03 0.04 0.00 1.10 0.00 0.00 33.01 28.85 2yub s GLN 108 CO 0.33 -3.96 0.84 1.03 -0.55 0.00 0.00 175.29 172.98 2yub s ARG 109 N 7.47 1.53 0.99 1.67 0.52 -1.26 -5.16 118.95 124.72 2yub s ARG 109 Ca 0.76 -0.86 -0.17 0.00 -0.52 0.00 0.00 55.73 54.94 2yub s ARG 109 Cb -0.07 0.51 -0.13 0.00 0.52 0.00 0.00 34.95 35.79 2yub s ARG 109 CO 0.06 -0.70 -0.69 -0.11 0.02 0.00 0.00 175.30 173.87 2yub n LEU 110 N -0.48 -5.17 0.00 2.53 0.00 -1.26 -4.98 117.00 107.63 2yub n LEU 110 Ca -0.05 0.19 0.00 0.00 0.00 0.00 0.00 56.01 56.15 2yub n LEU 110 Cb 0.60 -0.80 0.00 0.00 0.00 0.00 0.00 43.42 43.22 2yub n LEU 110 CO 0.15 -5.57 0.00 -0.67 0.00 0.00 0.00 177.39 171.30 2yub n ASP 111 N 2.88 0.00 -1.63 1.96 -0.08 -1.26 -5.07 116.55 113.34 2yub n ASP 111 Ca -0.01 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 2yub n ASP 111 Cb 0.57 -0.21 0.00 0.00 2.34 0.00 0.00 41.12 43.82 2yub n ASP 111 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2yub n GLN 112 N -1.76 -4.41 -1.52 -0.67 -0.06 -1.26 -4.50 117.38 103.21 2yub n GLN 112 Ca 0.00 3.19 -0.13 0.00 -2.00 0.00 0.00 57.00 58.07 2yub n GLN 112 Cb 0.00 -3.44 -0.11 0.00 -4.06 0.00 0.00 30.24 22.64 2yub n GLN 112 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2yub n SER 113 N 0.84 0.97 -2.97 1.69 7.64 -1.26 -4.67 113.62 115.86 2yub n SER 113 Ca 0.00 -2.37 -0.23 0.00 1.01 0.00 0.00 58.87 57.28 2yub n SER 113 Cb 0.00 -1.62 -0.03 0.00 -1.01 0.00 0.00 64.21 61.55 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yub n GLY 114 N 5.97 4.80 0.00 0.23 0.00 -1.26 -4.76 105.19 110.16 2yub n GLY 114 Ca 0.37 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.08 -0.40 -0.68 1.61 -0.04 -1.26 -4.76 135.00 129.40 2yub n PRO 115 Ca 0.29 0.00 0.51 0.00 -0.04 0.00 0.00 63.50 64.26 2yub n PRO 115 Cb 0.52 0.00 0.79 0.00 -0.04 0.00 0.00 33.50 34.77 2yub n PRO 115 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yub n SER 116 N -2.07 0.00 -3.65 3.54 7.64 -1.26 -4.04 113.62 113.78 2yub n SER 116 Ca 0.00 0.96 -0.04 0.00 1.01 0.00 0.00 58.87 60.80 2yub n SER 116 Cb 0.00 -0.47 -0.06 0.00 -1.01 0.00 0.00 64.21 62.67 2yub n SER 116 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yub s SER 117 N -3.84 -0.88 0.00 6.43 0.01 -1.26 -5.34 113.70 108.81 2yub s SER 117 Ca -0.05 1.40 0.27 0.00 1.31 0.00 0.00 55.95 58.88 2yub s SER 117 Cb 0.26 1.93 0.81 0.00 0.21 0.00 0.00 66.02 69.23 2yub s SER 117 CO 0.85 -0.22 1.61 0.61 0.41 0.00 0.00 173.24 176.50