#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 -0.12 -0.39 1.61 0.15 -1.26 -5.13 113.70 108.56 2yub s SER 2 Ca 0.00 0.07 -0.10 0.00 0.70 0.00 0.00 55.95 56.62 2yub s SER 2 Cb 0.00 0.12 0.05 0.00 -1.71 0.00 0.00 66.02 64.48 2yub s SER 2 CO 0.00 -0.16 0.22 -0.55 1.20 0.00 0.00 173.24 173.95 2yub s SER 3 N -1.64 5.66 0.52 5.45 0.15 -1.26 -5.08 113.70 117.51 2yub s SER 3 Ca 0.08 -1.23 -0.22 0.00 0.70 0.00 0.00 55.95 55.28 2yub s SER 3 Cb -0.01 -2.00 -0.06 0.00 -1.71 0.00 0.00 66.02 62.25 2yub s SER 3 CO -0.05 -0.45 1.30 -0.83 1.20 0.00 0.00 173.24 174.42 2yub s GLY 4 N 1.79 2.86 -0.04 9.45 0.00 -1.26 -4.99 107.32 115.13 2yub s GLY 4 Ca 0.02 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.92 2yub s GLY 4 CO 0.04 1.72 -0.08 -1.26 0.00 0.00 0.00 173.10 173.52 2yub n SER 5 N -0.88 0.49 -0.57 1.64 2.88 -1.26 -5.09 113.62 110.83 2yub n SER 5 Ca 0.10 0.08 0.06 0.00 -1.33 0.00 0.00 58.87 57.78 2yub n SER 5 Cb 0.46 -0.52 -0.02 0.00 -0.75 0.00 0.00 64.21 63.38 2yub n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yub n SER 6 N -2.99 -3.36 -1.96 -3.46 3.41 -1.26 -4.92 113.62 99.08 2yub n SER 6 Ca -0.03 0.50 -0.01 0.00 -0.26 0.00 0.00 58.87 59.06 2yub n SER 6 Cb 0.12 -1.62 0.02 0.00 -0.26 0.00 0.00 64.21 62.47 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yub n GLY 7 N -1.58 -0.44 3.57 5.00 0.00 -1.26 -5.16 105.19 105.32 2yub n GLY 7 Ca 0.00 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 2yub n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2yub s VAL 8 N 0.03 3.03 0.61 1.61 -7.23 -1.26 -5.12 120.40 112.07 2yub s VAL 8 Ca 0.02 -2.07 -0.17 0.00 -1.81 0.00 0.00 61.98 57.95 2yub s VAL 8 Cb 0.09 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.41 2yub s VAL 8 CO -0.02 -0.34 1.14 -1.58 -0.31 0.00 0.00 175.10 173.98 2yub s GLN 9 N -3.48 3.00 0.09 4.82 2.00 -1.26 -5.03 119.66 119.81 2yub s GLN 9 Ca 0.30 1.57 -0.16 0.00 -2.00 0.00 0.00 55.36 55.07 2yub s GLN 9 Cb -0.06 -1.96 0.05 0.00 0.80 0.00 0.00 33.01 31.84 2yub s GLN 9 CO 0.17 -1.13 0.74 -0.40 -0.50 0.00 0.00 175.29 174.18 2yub n ASP 10 N -1.86 -1.10 -1.17 6.67 5.75 -1.26 -5.19 116.55 118.39 2yub n ASP 10 Ca 0.12 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.38 2yub n ASP 10 Cb 0.51 1.77 0.00 0.00 -1.03 0.00 0.00 41.12 42.37 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2yub n GLN 11 N -0.52 1.21 -1.42 0.11 1.13 -1.26 -5.12 117.38 111.51 2yub n GLN 11 Ca -0.00 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.66 2yub n GLN 11 Cb 0.40 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.76 2yub n GLN 11 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2yub n LEU 12 N 0.00 -0.53 -4.77 1.08 4.77 -1.26 -4.89 117.00 111.40 2yub n LEU 12 Ca 0.00 0.81 -0.38 0.00 -0.03 0.00 0.00 56.01 56.40 2yub n LEU 12 Cb 0.00 -1.08 -0.02 0.00 -2.33 0.00 0.00 43.42 40.00 2yub n LEU 12 CO 0.00 -3.33 0.86 -2.16 -1.33 0.00 0.00 177.39 171.43 2yub s PRO 13 N -1.61 4.03 0.27 3.23 0.04 -1.26 -5.00 135.00 134.70 2yub s PRO 13 Ca 0.64 1.88 0.00 0.00 0.04 0.00 0.00 61.00 63.56 2yub s PRO 13 Cb -0.54 -2.68 0.05 0.00 0.04 0.00 0.00 34.50 31.38 2yub s PRO 13 CO 0.58 -0.35 0.37 2.48 0.04 0.00 0.00 177.00 180.12 2yub n TYR 14 N 0.06 -3.20 -5.14 0.56 0.18 -1.26 -5.11 117.16 103.26 2yub n TYR 14 Ca 0.04 -0.65 -0.30 0.00 1.88 0.00 0.00 57.90 58.87 2yub n TYR 14 Cb 0.46 -0.27 -0.16 0.00 -0.38 0.00 0.00 39.34 38.99 2yub n TYR 14 CO 0.00 0.00 0.00 -1.54 -2.08 0.00 0.00 176.86 173.24 2yub s SER 15 N -2.49 2.80 0.22 9.48 1.04 -1.26 -5.02 113.70 118.47 2yub s SER 15 Ca 0.24 -0.47 -0.08 0.00 0.48 0.00 0.00 55.95 56.12 2yub s SER 15 Cb -0.01 -0.79 -0.07 0.00 0.10 0.00 0.00 66.02 65.25 2yub s SER 15 CO 0.16 0.22 0.52 0.68 0.98 0.00 0.00 173.24 175.80 2yub s VAL 16 N -0.09 4.98 -0.00 5.02 -7.23 -1.26 -2.70 120.40 119.11 2yub s VAL 16 Ca -0.04 0.36 0.05 0.00 -1.81 0.00 0.00 61.98 60.54 2yub s VAL 16 Cb -0.13 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2yub s VAL 16 CO 0.03 -0.08 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.70 2yub s THR 17 N -1.82 2.98 -0.05 5.32 2.01 0.41 -4.98 115.64 119.52 2yub s THR 17 Ca 0.46 -0.95 0.04 0.00 0.31 0.00 0.00 61.69 61.55 2yub s THR 17 Cb -0.11 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.18 2yub s THR 17 CO 0.23 0.45 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.23 2yub s LEU 18 N -1.14 1.87 -0.02 4.42 2.96 -1.26 -0.61 118.68 124.90 2yub s LEU 18 Ca 0.14 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2yub s LEU 18 Cb -0.11 -0.93 -0.00 0.00 0.50 0.00 0.00 46.19 45.65 2yub s LEU 18 CO 0.04 0.13 -0.12 0.27 -1.32 0.00 0.00 176.35 175.34 2yub s ILE 19 N 0.16 0.98 -0.31 6.68 -0.00 -1.19 -5.02 121.20 122.50 2yub s ILE 19 Ca -0.06 -0.49 -0.01 0.00 -0.00 0.00 0.00 60.65 60.08 2yub s ILE 19 Cb -0.12 -0.84 0.10 0.00 -0.00 0.00 0.00 42.46 41.60 2yub s ILE 19 CO 0.03 0.29 0.11 -0.55 -0.00 0.00 0.00 174.94 174.81 2yub s SER 20 N -0.03 3.96 0.03 4.36 0.15 -1.26 -2.49 113.70 118.42 2yub s SER 20 Ca 0.00 -1.62 0.08 0.00 0.70 0.00 0.00 55.95 55.11 2yub s SER 20 Cb -0.08 -0.80 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2yub s SER 20 CO 0.00 -0.41 -0.24 -0.04 1.20 0.00 0.00 173.24 173.75 2yub s MET 21 N 1.65 1.92 0.93 5.44 1.00 -1.21 -4.98 119.30 124.06 2yub s MET 21 Ca 0.10 -1.05 -0.12 0.00 0.00 0.00 0.00 55.69 54.62 2yub s MET 21 Cb -0.17 -2.05 0.15 0.00 0.00 0.00 0.00 34.83 32.76 2yub s MET 21 CO -0.26 0.53 1.09 -1.25 0.00 0.00 0.00 175.02 175.13 2yub s PRO 22 N -1.20 0.95 0.00 2.03 0.04 -1.26 -0.55 135.00 135.01 2yub s PRO 22 Ca 0.12 0.71 0.00 0.00 0.04 0.00 0.00 61.00 61.87 2yub s PRO 22 Cb -0.10 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2yub s PRO 22 CO 0.02 -2.43 0.00 0.00 0.04 0.00 0.00 177.00 174.64 2yub n ALA 23 N -3.99 0.00 -3.13 8.56 0.00 -0.77 -4.68 120.51 116.49 2yub n ALA 23 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.41 2yub n ALA 23 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.96 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 -0.69 0.03 0.00 0.00 -4.23 -1.26 -4.96 115.64 104.53 2yub s THR 24 Ca 0.00 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.42 2yub s THR 24 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2yub s THR 24 CO 0.00 -0.14 0.00 0.35 -0.54 0.00 0.00 174.62 174.29 2yub n THR 25 N -0.32 0.00 0.31 3.99 -2.24 -1.26 -4.60 114.28 110.16 2yub n THR 25 Ca -0.07 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.83 2yub n THR 25 Cb 0.62 -0.06 0.67 0.00 -2.10 0.00 0.00 70.33 69.47 2yub n THR 25 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2yub h GLU 26 N 0.00 0.00 0.00 -0.78 4.22 -2.00 -3.40 114.58 112.62 2yub h GLU 26 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2yub h GLU 26 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2yub h GLU 26 CO 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 179.01 176.83 2yub s ARG 28 N 0.90 0.68 1.78 0.00 6.06 -1.26 -5.06 118.95 122.04 2yub s ARG 28 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 55.73 52.73 2yub s ARG 28 Cb 0.00 0.01 0.00 0.00 0.06 0.00 0.00 34.95 35.02 2yub s ARG 28 CO 0.00 -0.90 0.00 0.54 -2.50 0.00 0.00 175.30 172.44 2yub n ARG 29 N 3.41 0.00 0.00 5.12 3.00 -1.26 -4.70 116.66 122.24 2yub n ARG 29 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.97 2yub n ARG 29 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.05 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 0.00 1.75 3.17 -0.13 0.00 -1.26 -4.97 105.19 103.76 2yub n GLY 30 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.95 -0.43 0.17 1.61 -0.71 -1.26 -2.29 117.98 113.11 2yub s PHE 31 Ca 0.00 0.99 0.08 0.00 -1.04 0.00 0.00 56.93 56.96 2yub s PHE 31 Cb 0.00 0.14 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2yub s PHE 31 CO 0.00 -0.26 -0.08 -1.54 -1.34 0.00 0.00 175.22 172.00 2yub s SER 32 N 1.06 4.35 0.39 1.98 1.04 -1.22 -4.93 113.70 116.37 2yub s SER 32 Ca -0.07 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2yub s SER 32 Cb -0.08 -0.78 -0.01 0.00 0.10 0.00 0.00 66.02 65.26 2yub s SER 32 CO -0.08 0.11 0.06 1.33 0.98 0.00 0.00 173.24 175.63 2yub n VAL 33 N 0.08 0.00 -4.96 5.02 0.24 -1.26 -2.40 118.33 115.05 2yub n VAL 33 Ca -0.11 -2.02 -0.30 0.00 -2.04 0.00 0.00 64.34 59.87 2yub n VAL 33 Cb 0.55 0.55 -0.17 0.00 -1.47 0.00 0.00 33.84 33.30 2yub n VAL 33 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2yub s THR 34 N -2.68 1.83 -0.11 3.34 2.01 -0.43 -4.82 115.64 114.79 2yub s THR 34 Ca 0.08 -0.88 -0.15 0.00 0.31 0.00 0.00 61.69 61.06 2yub s THR 34 Cb 0.00 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 2yub s THR 34 CO 0.06 0.51 0.35 -0.69 -0.69 0.00 0.00 174.62 174.16 2yub s VAL 35 N 0.52 5.22 -0.18 3.82 1.01 -1.26 -3.06 120.40 126.47 2yub s VAL 35 Ca -0.16 0.69 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 2yub s VAL 35 Cb -0.17 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 2yub s VAL 35 CO 0.06 0.44 0.01 -1.61 0.00 0.00 0.00 175.10 173.99 2yub s GLU 36 N 0.02 3.73 -0.39 2.72 0.41 -0.54 -5.02 118.70 119.63 2yub s GLU 36 Ca 0.20 -0.47 0.02 0.00 -0.41 0.00 0.00 54.97 54.31 2yub s GLU 36 Cb -0.14 -3.07 0.15 0.00 -1.78 0.00 0.00 34.13 29.29 2yub s GLU 36 CO 0.08 0.14 0.27 -1.12 -0.49 0.00 0.00 175.26 174.14 2yub s SER 37 N 0.66 2.45 0.00 -0.19 0.01 -1.26 -0.95 113.70 114.42 2yub s SER 37 Ca 0.00 -2.59 0.00 0.00 1.31 0.00 0.00 55.95 54.67 2yub s SER 37 Cb -0.14 -0.48 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2yub s SER 37 CO 0.02 -0.25 0.14 0.00 0.41 0.00 0.00 173.24 173.57 2yub n ALA 38 N 3.50 0.00 -3.64 1.44 0.00 -1.26 -4.75 120.51 115.80 2yub n ALA 38 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 2yub n ALA 38 Cb 0.41 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.73 2yub n ALA 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2yub s SER 39 N -1.95 3.48 0.00 0.00 0.15 -1.26 -5.08 113.70 109.04 2yub s SER 39 Ca 0.00 -2.43 0.00 0.00 0.70 0.00 0.00 55.95 54.22 2yub s SER 39 Cb 0.00 -0.84 0.00 0.00 -1.71 0.00 0.00 66.02 63.47 2yub s SER 39 CO 0.00 -0.29 0.00 -0.24 1.20 0.00 0.00 173.24 173.91 2yub n SER 40 N 3.78 0.00 -0.16 5.45 2.88 -1.26 -5.01 113.62 119.29 2yub n SER 40 Ca 0.09 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.69 2yub n SER 40 Cb 0.36 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2yub n SER 40 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2yub n ASN 41 N 0.04 1.73 -3.83 -3.46 4.13 -1.26 -5.04 115.26 107.57 2yub n ASN 41 Ca 0.00 -2.70 -0.12 0.00 1.68 0.00 0.00 54.58 53.44 2yub n ASN 41 Cb 0.00 -0.33 -0.11 0.00 -1.54 0.00 0.00 39.78 37.80 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2yub s TYR 42 N -2.00 -0.11 0.93 3.10 -0.85 -1.26 -4.21 117.35 112.95 2yub s TYR 42 Ca 0.21 0.23 -0.12 0.00 -0.52 0.00 0.00 57.07 56.88 2yub s TYR 42 Cb 0.19 0.03 0.08 0.00 0.38 0.00 0.00 41.96 42.63 2yub s TYR 42 CO 0.02 -0.20 0.69 0.00 -1.52 0.00 0.00 175.55 174.53 2yub n ALA 43 N 2.21 -1.91 0.00 9.51 0.00 -0.25 -4.78 120.51 125.28 2yub n ALA 43 Ca -0.17 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.68 2yub n ALA 43 Cb 0.57 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 18.07 2yub n ALA 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2yub n THR 44 N -3.82 0.00 -3.82 0.00 5.66 -0.12 -3.41 114.28 108.77 2yub n THR 44 Ca 0.09 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.97 2yub n THR 44 Cb 0.53 -0.38 -0.10 0.00 -1.55 0.00 0.00 70.33 68.82 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2yub s THR 45 N -1.44 0.05 -0.02 1.09 2.01 -1.25 -4.04 115.64 112.04 2yub s THR 45 Ca 0.00 -0.40 0.01 0.00 0.31 0.00 0.00 61.69 61.61 2yub s THR 45 Cb 0.00 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.09 2yub s THR 45 CO 0.00 -0.22 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.01 2yub s VAL 46 N -0.84 0.22 0.04 3.82 1.01 -1.26 -1.46 120.40 121.92 2yub s VAL 46 Ca -0.09 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2yub s VAL 46 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2yub s VAL 46 CO 0.02 0.12 -0.10 -1.10 0.00 0.00 0.00 175.10 174.04 2yub s GLN 47 N 0.60 0.67 -0.17 2.72 -0.21 -1.17 -2.80 119.66 119.29 2yub s GLN 47 Ca -0.06 -0.69 -0.29 0.00 0.02 0.00 0.00 55.36 54.34 2yub s GLN 47 Cb -0.09 -0.57 -0.00 0.00 1.00 0.00 0.00 33.01 33.34 2yub s GLN 47 CO -0.01 0.13 1.09 0.08 -2.12 0.00 0.00 175.29 174.46 2yub s VAL 48 N -1.00 4.59 -0.04 1.09 1.01 -1.12 -1.31 120.40 123.61 2yub s VAL 48 Ca -0.04 1.90 -0.01 0.00 0.00 0.00 0.00 61.98 63.83 2yub s VAL 48 Cb -0.08 -4.22 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 2yub s VAL 48 CO 0.01 -0.11 -0.02 0.50 0.00 0.00 0.00 175.10 175.48 2yub h LYS 49 N 7.50 0.00 -5.17 2.72 1.63 -1.79 -0.16 116.57 121.31 2yub h LYS 49 Ca -0.25 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.20 2yub h LYS 49 Cb 1.10 0.00 -0.15 0.00 -0.60 0.00 0.00 32.23 32.58 2yub h LYS 49 CO 0.94 0.00 -0.72 -1.21 -3.45 0.00 0.00 179.45 175.00 2yub s GLU 50 N -1.28 1.07 -0.03 1.90 2.02 -1.23 -4.37 118.70 116.79 2yub s GLU 50 Ca -0.01 -1.42 -0.02 0.00 0.02 0.00 0.00 54.97 53.54 2yub s GLU 50 Cb 0.00 -0.72 0.02 0.00 0.10 0.00 0.00 34.13 33.53 2yub s GLU 50 CO 0.02 0.10 0.06 0.08 0.02 0.00 0.00 175.26 175.55 2yub s VAL 51 N -3.07 -0.02 -0.21 2.63 1.01 -1.26 -3.42 120.40 116.06 2yub s VAL 51 Ca 0.16 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 62.18 2yub s VAL 51 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 36.38 36.26 2yub s VAL 51 CO 0.02 0.04 -0.02 0.21 0.00 0.00 0.00 175.10 175.35 2yub s ASN 52 N 0.50 4.64 0.29 3.32 3.84 -0.97 -4.98 114.94 121.58 2yub s ASN 52 Ca -0.04 -0.27 0.15 0.00 0.21 0.00 0.00 52.86 52.91 2yub s ASN 52 Cb -0.06 -1.79 0.25 0.00 -0.55 0.00 0.00 41.25 39.10 2yub s ASN 52 CO -0.02 0.04 1.53 0.03 -2.79 0.00 0.00 177.10 175.88 2yub h ARG 53 N 7.70 0.00 0.00 0.43 3.08 -1.90 -3.03 114.38 120.67 2yub h ARG 53 Ca -0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2yub h ARG 53 Cb 1.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.22 2yub h ARG 53 CO 0.60 0.54 0.00 0.52 -1.07 0.00 0.00 179.97 180.56 2yub h MET 54 N 0.00 0.00 -0.01 0.04 2.86 -1.97 -2.59 114.93 113.26 2yub h MET 54 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2yub h MET 54 Cb 1.26 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2yub h MET 54 CO 0.07 0.00 -0.51 0.72 1.06 0.00 0.00 176.91 178.25 2yub n HIS 55 N -2.63 0.00 -3.85 -0.22 8.25 -1.15 -4.84 115.22 110.78 2yub n HIS 55 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.19 2yub n HIS 55 Cb 0.30 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.26 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 -2.35 1.08 0.98 1.59 1.01 -0.98 -4.92 121.20 117.61 2yub s ILE 56 Ca 0.15 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.72 2yub s ILE 56 Cb 0.16 -1.47 0.06 0.00 0.01 0.00 0.00 42.46 41.22 2yub s ILE 56 CO 0.56 -0.17 0.40 -1.54 0.00 0.00 0.00 174.94 174.19 2yub n SER 57 N 4.84 -1.98 -4.56 3.58 3.41 -1.26 -4.73 113.62 112.92 2yub n SER 57 Ca -0.10 0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.50 2yub n SER 57 Cb 0.45 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.16 2yub n SER 57 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 2yub s PRO 58 N -3.69 2.54 0.00 4.33 0.04 -1.26 -3.73 135.00 133.24 2yub s PRO 58 Ca 0.57 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 61.20 2yub s PRO 58 Cb -0.20 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.25 2yub s PRO 58 CO 0.67 -3.47 0.00 -1.71 0.04 0.00 0.00 177.00 172.53 2yub n ASN 59 N 14.06 0.00 -0.45 6.66 2.85 -1.26 -4.94 115.26 132.18 2yub n ASN 59 Ca 0.41 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.95 2yub n ASN 59 Cb 0.47 0.22 0.02 0.00 1.24 0.00 0.00 39.78 41.74 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2yub n ASN 60 N -2.21 1.84 0.18 1.20 3.02 -1.24 -4.35 115.26 113.69 2yub n ASN 60 Ca 0.00 -1.42 0.13 0.00 -0.03 0.00 0.00 54.58 53.26 2yub n ASN 60 Cb 0.00 0.29 0.36 0.00 -0.61 0.00 0.00 39.78 39.82 2yub n ASN 60 CO 0.00 0.00 0.00 0.08 -2.62 0.00 0.00 177.26 174.72 2yub h ARG 61 N 2.21 0.00 -0.36 3.52 0.11 -1.85 -2.95 114.38 115.05 2yub h ARG 61 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2yub h ARG 61 Cb 0.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.64 2yub h ARG 61 CO 0.00 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.16 2yub n ASN 62 N -2.70 1.97 -0.00 0.08 4.13 -1.26 -3.99 115.26 113.48 2yub n ASN 62 Ca 0.04 -1.99 -0.00 0.00 1.68 0.00 0.00 54.58 54.31 2yub n ASN 62 Cb 0.43 -0.24 -0.00 0.00 -1.54 0.00 0.00 39.78 38.43 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yub n ALA 63 N 0.57 1.99 -2.81 5.41 0.00 -1.13 -5.06 120.51 119.49 2yub n ALA 63 Ca 0.13 -0.01 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 2yub n ALA 63 Cb 0.31 0.44 -0.01 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.01 5.05 -0.09 0.00 2.07 -1.16 -4.93 121.20 120.14 2yub s ILE 64 Ca -0.00 -0.82 -0.32 0.00 -1.41 0.00 0.00 60.65 58.09 2yub s ILE 64 Cb 0.00 -3.80 0.13 0.00 0.13 0.00 0.00 42.46 38.92 2yub s ILE 64 CO 0.01 -0.38 1.30 -1.00 -1.91 0.00 0.00 174.94 172.95 2yub s HIS 65 N -2.12 -0.05 0.11 3.50 3.76 -1.26 -4.86 115.29 114.36 2yub s HIS 65 Ca 0.37 -0.02 -0.31 0.00 -0.15 0.00 0.00 55.06 54.96 2yub s HIS 65 Cb -0.09 0.53 -0.08 0.00 1.11 0.00 0.00 32.58 34.05 2yub s HIS 65 CO 0.32 -0.21 1.37 -1.25 -0.85 0.00 0.00 174.74 174.12 2yub s PRO 66 N -2.34 4.33 0.00 8.40 0.04 -1.26 -2.77 135.00 141.40 2yub s PRO 66 Ca 0.13 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2yub s PRO 66 Cb 0.03 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2yub s PRO 66 CO -0.04 -0.42 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2yub n GLY 67 N 3.46 1.57 3.40 0.56 0.00 -0.07 -5.03 105.19 109.08 2yub n GLY 67 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.63 -0.39 -0.09 1.61 1.01 -1.11 -4.78 116.67 111.30 2yub s ASP 68 Ca 0.00 0.82 0.01 0.00 0.71 0.00 0.00 52.55 54.10 2yub s ASP 68 Cb 0.00 -1.17 0.02 0.00 1.01 0.00 0.00 42.92 42.77 2yub s ASP 68 CO 0.00 -4.95 -0.11 -0.13 0.21 0.00 0.00 175.17 170.19 2yub s ARG 69 N -5.14 1.69 -0.55 8.23 0.52 -1.26 -2.81 118.95 119.63 2yub s ARG 69 Ca 0.69 -0.37 -0.18 0.00 -0.52 0.00 0.00 55.73 55.34 2yub s ARG 69 Cb -0.13 -1.52 0.09 0.00 0.52 0.00 0.00 34.95 33.92 2yub s ARG 69 CO 0.58 -0.08 0.63 0.42 0.02 0.00 0.00 175.30 176.87 2yub s ILE 70 N 1.05 4.91 0.07 1.52 1.01 -1.12 -2.78 121.20 125.85 2yub s ILE 70 Ca -0.07 -0.89 -0.27 0.00 0.00 0.00 0.00 60.65 59.42 2yub s ILE 70 Cb -0.15 -4.39 -0.17 0.00 0.01 0.00 0.00 42.46 37.77 2yub s ILE 70 CO -0.01 -0.96 1.62 -0.07 0.00 0.00 0.00 174.94 175.52 2yub h LEU 71 N 9.69 -0.29 -8.53 2.97 3.38 -1.27 -3.41 115.31 117.85 2yub h LEU 71 Ca -0.29 -0.04 -0.22 0.00 0.09 0.00 0.00 57.88 57.43 2yub h LEU 71 Cb 1.09 0.07 -0.15 0.00 0.09 0.00 0.00 40.66 41.77 2yub h LEU 71 CO 1.03 -0.15 -0.61 -1.61 0.09 0.00 0.00 178.44 177.20 2yub s GLU 72 N -5.86 1.14 -0.03 1.13 2.02 -1.26 -3.95 118.70 111.89 2yub s GLU 72 Ca -0.15 -1.56 -0.00 0.00 0.02 0.00 0.00 54.97 53.28 2yub s GLU 72 Cb 0.04 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.57 2yub s GLU 72 CO 0.63 -0.36 0.01 0.42 0.02 0.00 0.00 175.26 175.98 2yub s ILE 73 N -4.12 0.14 -1.82 -1.63 1.01 -1.00 -2.51 121.20 111.27 2yub s ILE 73 Ca 0.34 0.13 0.00 0.00 0.00 0.00 0.00 60.65 61.13 2yub s ILE 73 Cb 0.07 -0.26 0.00 0.00 0.01 0.00 0.00 42.46 42.27 2yub s ILE 73 CO 0.09 0.15 0.00 0.59 0.00 0.00 0.00 174.94 175.77 2yub n ASN 74 N 4.34 -5.36 -0.84 3.58 3.02 -0.82 -2.12 115.26 117.07 2yub n ASN 74 Ca -0.23 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.75 2yub n ASN 74 Cb 0.50 -4.50 0.00 0.00 -0.61 0.00 0.00 39.78 35.18 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 -0.18 0.54 3.27 7.41 0.00 -1.26 -4.94 105.19 110.03 2yub n GLY 75 Ca -0.17 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.86 0.05 -0.14 2.61 -4.23 -0.90 -5.13 115.64 105.03 2yub s THR 76 Ca 0.00 -0.41 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 2yub s THR 76 Cb 0.00 -0.65 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 2yub s THR 76 CO 0.00 -0.23 1.56 -2.16 -0.54 0.00 0.00 174.62 173.25 2yub s PRO 77 N -1.26 4.03 0.13 3.99 0.04 -1.26 -2.38 135.00 138.29 2yub s PRO 77 Ca -0.13 1.87 0.11 0.00 0.04 0.00 0.00 61.00 62.89 2yub s PRO 77 Cb -0.05 -3.96 -0.14 0.00 0.04 0.00 0.00 34.50 30.39 2yub s PRO 77 CO 0.05 -1.00 1.19 -0.39 0.04 0.00 0.00 177.00 176.88 2yub h VAL 78 N 5.79 1.26 0.00 -0.36 -1.51 -1.92 -0.71 116.25 118.81 2yub h VAL 78 Ca -0.34 -2.89 0.00 0.00 -1.23 0.00 0.00 66.70 62.24 2yub h VAL 78 Cb 1.15 2.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.92 2yub h VAL 78 CO 0.98 0.72 0.00 -2.11 -1.23 0.00 0.00 177.57 175.93 2yub n ARG 79 N -3.23 0.41 0.00 5.19 1.85 -1.26 -3.44 116.66 116.19 2yub n ARG 79 Ca -0.03 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 2yub n ARG 79 Cb 0.90 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.81 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 -1.18 0.00 -0.78 8.89 -2.24 -1.21 -4.21 114.28 113.53 2yub n THR 80 Ca 0.12 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.57 2yub n THR 80 Cb 0.13 -0.55 0.13 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.03 -0.77 -4.81 3.22 4.77 -0.27 -4.57 117.00 112.54 2yub n LEU 81 Ca 0.00 0.25 -0.34 0.00 -0.03 0.00 0.00 56.01 55.90 2yub n LEU 81 Cb 0.39 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 2yub n LEU 81 CO 0.00 -3.64 0.68 -0.13 -1.33 0.00 0.00 177.39 172.96 2yub s ARG 82 N -3.54 4.09 0.12 3.23 0.52 -1.26 -1.10 118.95 121.01 2yub s ARG 82 Ca 0.56 1.22 -0.30 0.00 -0.52 0.00 0.00 55.73 56.69 2yub s ARG 82 Cb -0.19 -2.18 -0.09 0.00 0.52 0.00 0.00 34.95 33.01 2yub s ARG 82 CO 0.68 -0.16 1.59 0.28 0.02 0.00 0.00 175.30 177.70 2yub h VAL 83 N 1.82 0.16 -0.20 3.52 2.07 -1.87 0.12 116.25 121.87 2yub h VAL 83 Ca -0.49 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2yub h VAL 83 Cb 1.20 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2yub h VAL 83 CO 0.60 0.00 0.32 1.05 0.02 0.00 0.00 177.57 179.57 2yub h GLU 84 N -0.61 0.00 0.14 1.57 4.11 -1.93 -1.68 114.58 116.18 2yub h GLU 84 Ca 0.03 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.46 2yub h GLU 84 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2yub h GLU 84 CO -0.28 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 179.67 2yub h GLU 85 N 0.00 -0.18 -0.51 1.06 4.39 -1.21 -2.99 114.58 115.14 2yub h GLU 85 Ca 0.09 0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.91 2yub h GLU 85 Cb 0.74 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 29.34 2yub h GLU 85 CO -0.00 -0.12 -0.14 0.28 -1.16 0.00 0.00 179.01 177.87 2yub h VAL 86 N -0.82 0.47 -0.32 3.13 2.07 -0.76 0.86 116.25 120.88 2yub h VAL 86 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 2yub h VAL 86 Cb 0.14 0.47 -0.07 0.00 -1.52 0.00 0.00 31.29 30.31 2yub h VAL 86 CO 0.03 0.00 -0.14 1.05 0.02 0.00 0.00 177.57 178.53 2yub h GLU 87 N -0.01 -0.08 -0.01 1.57 -0.00 -1.47 -2.33 114.58 112.25 2yub h GLU 87 Ca 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.61 2yub h GLU 87 Cb 0.39 0.02 -0.00 0.00 -0.00 0.00 0.00 28.75 29.16 2yub h GLU 87 CO -0.53 -0.06 0.01 0.22 -0.00 0.00 0.00 179.01 178.65 2yub h ASP 88 N -0.09 0.01 -1.92 3.06 3.58 -1.11 -2.29 116.42 117.66 2yub h ASP 88 Ca 0.16 -0.01 0.56 0.00 0.42 0.00 0.00 57.03 58.16 2yub h ASP 88 Cb 0.33 -0.00 -0.08 0.00 1.72 0.00 0.00 39.33 41.30 2yub h ASP 88 CO -0.38 0.02 1.38 0.00 -2.88 0.00 0.00 179.24 177.39 2yub n ALA 89 N -2.10 1.85 -0.07 -0.78 0.00 0.19 0.17 120.51 119.77 2yub n ALA 89 Ca -0.07 0.64 -0.13 0.00 0.00 0.00 0.00 53.44 53.88 2yub n ALA 89 Cb 0.04 -1.11 -0.12 0.00 0.00 0.00 0.00 19.45 18.25 2yub n ALA 89 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2yub h ILE 90 N 0.00 1.65 -0.04 0.00 1.08 -1.31 -3.29 117.51 115.60 2yub h ILE 90 Ca 0.92 -2.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.15 2yub h ILE 90 Cb 3.68 3.12 0.00 0.00 -3.07 0.00 0.00 36.82 40.55 2yub h ILE 90 CO -0.02 0.56 0.00 2.29 -0.69 0.00 0.00 178.15 180.29 2yub n LYS 91 N -4.62 1.18 -1.12 2.37 2.85 0.21 -4.54 118.16 114.50 2yub n LYS 91 Ca -0.09 -0.27 -0.35 0.00 -1.05 0.00 0.00 58.31 56.55 2yub n LYS 91 Cb 0.44 -1.31 -0.03 0.00 -0.65 0.00 0.00 35.03 33.49 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 -0.51 2.25 -1.63 -1.58 1.13 0.44 -4.80 117.38 112.68 2yub n GLN 92 Ca 0.14 -1.88 -0.41 0.00 -1.94 0.00 0.00 57.00 52.91 2yub n GLN 92 Cb 0.13 -2.79 -0.01 0.00 0.11 0.00 0.00 30.24 27.68 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 4.85 3.68 0.00 5.09 -2.24 -1.26 -4.06 114.28 120.34 2yub n THR 93 Ca 0.52 -2.92 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 2yub n THR 93 Cb 0.28 -2.61 0.00 0.00 -2.10 0.00 0.00 70.33 65.90 2yub n THR 93 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2yub n SER 94 N 5.45 1.94 -0.98 3.42 7.64 -1.26 -4.14 113.62 125.70 2yub n SER 94 Ca 0.59 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2yub n SER 94 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yub n GLN 95 N -2.28 0.45 -2.00 1.43 10.64 -1.26 -4.61 117.38 119.75 2yub n GLN 95 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2yub n GLN 95 Cb 0.31 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.67 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2yub s THR 96 N -1.60 2.64 -0.19 -0.39 2.01 -1.26 -1.85 115.64 115.00 2yub s THR 96 Ca 0.00 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.54 2yub s THR 96 Cb 0.00 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2yub s THR 96 CO 0.00 0.09 -0.17 -0.22 -0.69 0.00 0.00 174.62 173.62 2yub s LEU 97 N -0.39 2.27 -0.01 4.42 2.96 0.29 -4.90 118.68 123.32 2yub s LEU 97 Ca 0.59 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.80 2yub s LEU 97 Cb -0.42 -1.53 -0.05 0.00 0.50 0.00 0.00 46.19 44.69 2yub s LEU 97 CO 0.43 -0.00 0.31 -1.10 -1.32 0.00 0.00 176.35 174.67 2yub s GLN 98 N 1.32 3.70 -0.18 1.98 -0.21 -1.26 -3.32 119.66 121.70 2yub s GLN 98 Ca 0.05 0.13 -0.03 0.00 0.02 0.00 0.00 55.36 55.54 2yub s GLN 98 Cb -0.13 -3.14 0.06 0.00 1.00 0.00 0.00 33.01 30.79 2yub s GLN 98 CO -0.11 0.68 0.03 -0.51 -2.12 0.00 0.00 175.29 173.26 2yub s LEU 99 N -1.37 1.12 -0.43 2.90 1.43 -1.04 -1.94 118.68 119.35 2yub s LEU 99 Ca 0.24 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 52.38 2yub s LEU 99 Cb -0.14 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.51 2yub s LEU 99 CO 0.13 -0.29 0.86 -0.22 0.23 0.00 0.00 176.35 177.06 2yub s LEU 100 N 1.87 4.09 0.12 1.79 2.96 -1.04 -3.14 118.68 125.32 2yub s LEU 100 Ca -0.00 0.16 0.02 0.00 -0.22 0.00 0.00 54.13 54.10 2yub s LEU 100 Cb -0.16 -3.11 -0.04 0.00 0.50 0.00 0.00 46.19 43.38 2yub s LEU 100 CO -0.08 -0.93 0.22 -0.63 -1.32 0.00 0.00 176.35 173.61 2yub s ILE 101 N 3.47 5.11 -0.07 6.68 -1.09 0.22 -0.78 121.20 134.73 2yub s ILE 101 Ca 0.34 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 58.10 2yub s ILE 101 Cb -0.11 -3.57 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 2yub s ILE 101 CO 0.23 -0.01 -0.15 -0.70 -1.23 0.00 0.00 174.94 173.07 2yub s GLU 102 N -2.92 2.04 -0.01 2.79 2.12 -1.12 -0.44 118.70 121.16 2yub s GLU 102 Ca 0.33 -0.54 -0.04 0.00 0.36 0.00 0.00 54.97 55.09 2yub s GLU 102 Cb -0.12 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.60 2yub s GLU 102 CO 0.27 0.07 0.20 -1.58 -0.54 0.00 0.00 175.26 173.68 2yub s HIS 103 N 0.56 3.56 0.15 5.30 5.65 -1.10 -4.49 115.29 124.92 2yub s HIS 103 Ca -0.15 0.40 0.04 0.00 0.25 0.00 0.00 55.06 55.60 2yub s HIS 103 Cb -0.16 -1.86 -0.04 0.00 -1.18 0.00 0.00 32.58 29.33 2yub s HIS 103 CO 0.05 0.64 -0.08 0.16 -0.65 0.00 0.00 174.74 174.86 2yub s ASP 104 N -1.87 1.65 -0.01 9.88 1.47 -1.26 -4.28 116.67 122.25 2yub s ASP 104 Ca 0.27 -1.04 -0.25 0.00 1.18 0.00 0.00 52.55 52.71 2yub s ASP 104 Cb -0.13 0.02 -0.19 0.00 -0.34 0.00 0.00 42.92 42.28 2yub s ASP 104 CO 0.18 -0.39 1.28 1.55 0.68 0.00 0.00 175.17 178.48 2yub h PRO 105 N 2.78 0.07 -4.11 2.11 0.13 -1.99 -3.46 132.00 127.53 2yub h PRO 105 Ca -0.36 -0.04 -0.44 0.00 -0.87 0.00 0.00 66.00 64.28 2yub h PRO 105 Cb 1.19 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.41 2yub h PRO 105 CO 0.64 0.54 -0.49 1.55 -0.23 0.00 0.00 178.00 180.01 2yub n VAL 106 N -4.79 0.97 -1.10 1.56 3.14 -1.26 -4.91 118.33 111.94 2yub n VAL 106 Ca -0.08 -0.34 -0.30 0.00 -2.96 0.00 0.00 64.34 60.66 2yub n VAL 106 Cb 0.27 0.00 0.23 0.00 -1.06 0.00 0.00 33.84 33.28 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 -0.68 -0.86 0.00 1.45 0.04 -1.26 -5.09 135.00 128.60 2yub s PRO 107 Ca 0.42 0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.53 2yub s PRO 107 Cb -0.55 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2yub s PRO 107 CO 0.40 -3.49 0.00 1.04 0.04 0.00 0.00 177.00 174.99 2yub n GLN 108 N -4.63 2.85 -2.45 4.56 6.02 -1.26 -5.00 117.38 117.47 2yub n GLN 108 Ca 0.11 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 57.08 2yub n GLN 108 Cb 0.59 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.83 2yub n GLN 108 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2yub n ARG 109 N -0.16 -4.57 0.00 -1.09 0.63 -1.26 -5.03 116.66 105.18 2yub n ARG 109 Ca 0.00 3.36 0.00 0.00 -0.92 0.00 0.00 57.85 60.29 2yub n ARG 109 Cb 0.00 -4.45 0.00 0.00 0.45 0.00 0.00 32.46 28.46 2yub n ARG 109 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2yub n LEU 110 N 1.85 1.10 -1.15 6.15 -0.00 -1.26 -5.14 117.00 118.55 2yub n LEU 110 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2yub n LEU 110 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.64 2yub n LEU 110 CO 0.13 0.11 -0.10 0.47 -0.00 0.00 0.00 177.39 178.00 2yub n ASP 111 N -2.28 -3.56 0.00 1.45 8.00 -1.26 -5.07 116.55 113.84 2yub n ASP 111 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2yub n ASP 111 Cb 0.27 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 2yub n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yub n GLN 112 N 0.39 0.00 -4.35 -1.24 6.02 -1.26 -5.09 117.38 111.85 2yub n GLN 112 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 2yub n GLN 112 Cb 0.00 -0.27 -0.13 0.00 1.02 0.00 0.00 30.24 30.87 2yub n GLN 112 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2yub s SER 113 N -1.81 4.60 0.00 1.08 1.04 -1.26 -4.93 113.70 112.42 2yub s SER 113 Ca 0.00 -0.21 0.00 0.00 0.48 0.00 0.00 55.95 56.22 2yub s SER 113 Cb 0.00 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.37 2yub s SER 113 CO 0.00 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.96 2yub n GLY 114 N 3.82 -0.67 3.77 7.32 0.00 -1.26 -5.16 105.19 113.02 2yub n GLY 114 Ca -0.18 0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2yub n GLY 114 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yub s PRO 115 N 0.00 3.04 -0.38 1.61 0.04 -1.26 -4.98 135.00 133.06 2yub s PRO 115 Ca 0.00 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.57 2yub s PRO 115 Cb 0.00 -1.97 0.45 0.00 0.04 0.00 0.00 34.50 33.02 2yub s PRO 115 CO 0.00 -1.08 1.35 0.43 0.04 0.00 0.00 177.00 177.74 2yub n SER 116 N -1.95 5.44 -3.48 6.66 7.64 -1.26 -4.92 113.62 121.75 2yub n SER 116 Ca 0.11 -3.76 -0.18 0.00 1.01 0.00 0.00 58.87 56.05 2yub n SER 116 Cb 0.52 -0.48 0.08 0.00 -1.01 0.00 0.00 64.21 63.32 2yub n SER 116 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yub n SER 117 N -0.72 -2.11 0.00 6.43 2.88 -1.26 -5.39 113.62 113.45 2yub n SER 117 Ca 0.47 -0.67 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 2yub n SER 117 Cb 0.87 -4.91 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42