#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 1.57 -2.72 1.61 2.88 -1.26 -4.97 113.62 110.73 2yub n SER 2 Ca 0.00 -1.28 -0.19 0.00 -1.33 0.00 0.00 58.87 56.06 2yub n SER 2 Cb 0.00 0.57 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.33 -5.10 -3.83 -3.46 7.64 -1.26 -4.96 113.62 102.33 2yub n SER 3 Ca 0.07 -0.08 -0.12 0.00 1.01 0.00 0.00 58.87 59.74 2yub n SER 3 Cb 0.35 -4.22 -0.12 0.00 -1.01 0.00 0.00 64.21 59.22 2yub n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yub s GLY 4 N -2.32 -0.07 -0.06 0.23 0.00 -1.26 -5.15 107.32 98.69 2yub s GLY 4 Ca 0.14 0.29 0.03 0.00 0.00 0.00 0.00 44.72 45.17 2yub s GLY 4 CO 0.17 0.21 -0.13 -0.56 0.00 0.00 0.00 173.10 172.79 2yub s SER 5 N -0.30 1.80 0.22 1.64 0.01 -1.26 -5.00 113.70 110.82 2yub s SER 5 Ca -0.04 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2yub s SER 5 Cb -0.03 -0.77 0.00 0.00 0.21 0.00 0.00 66.02 65.44 2yub s SER 5 CO 0.01 0.05 0.00 -1.54 0.41 0.00 0.00 173.24 172.17 2yub n SER 6 N 3.67 -1.19 0.00 2.44 3.41 -1.26 -5.10 113.62 115.60 2yub n SER 6 Ca -0.22 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 2yub n SER 6 Cb 0.52 1.27 0.00 0.00 -0.26 0.00 0.00 64.21 65.74 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 0.18 0.55 3.84 5.00 0.00 -1.26 -5.15 105.19 108.36 2yub n GLY 7 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 2yub n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yub s VAL 8 N -0.09 5.32 -1.13 1.61 1.01 -1.26 -5.03 120.40 120.83 2yub s VAL 8 Ca 0.00 0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.30 2yub s VAL 8 Cb 0.00 -3.53 0.19 0.00 0.00 0.00 0.00 36.38 33.04 2yub s VAL 8 CO 0.00 0.58 1.29 -1.10 0.00 0.00 0.00 175.10 175.86 2yub s GLN 9 N -0.83 4.03 -0.42 2.72 -0.21 -1.26 -4.79 119.66 118.89 2yub s GLN 9 Ca 0.18 -2.61 0.10 0.00 0.02 0.00 0.00 55.36 53.05 2yub s GLN 9 Cb -0.14 -4.90 0.40 0.00 1.00 0.00 0.00 33.01 29.38 2yub s GLN 9 CO 0.07 -1.62 0.94 -3.47 -2.12 0.00 0.00 175.29 169.09 2yub n ASP 10 N 5.00 2.83 0.00 5.90 -0.08 -1.26 -5.11 116.55 123.84 2yub n ASP 10 Ca 0.31 -3.26 0.00 0.00 -1.51 0.00 0.00 54.79 50.33 2yub n ASP 10 Cb 0.43 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 43.35 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2yub n GLN 11 N -0.14 0.00 -4.35 -0.67 6.02 -1.26 -4.84 117.38 112.14 2yub n GLN 11 Ca 0.25 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.95 2yub n GLN 11 Cb 0.65 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.79 2yub n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2yub s LEU 12 N 0.00 2.59 0.59 1.08 1.43 -1.26 -5.13 118.68 117.98 2yub s LEU 12 Ca 0.00 -0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 52.32 2yub s LEU 12 Cb 0.00 -1.46 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 2yub s LEU 12 CO 0.00 0.18 1.12 -2.16 0.23 0.00 0.00 176.35 175.73 2yub s PRO 13 N -2.07 3.13 0.44 1.29 0.04 -1.26 -4.69 135.00 131.88 2yub s PRO 13 Ca 0.17 1.52 -0.21 0.00 0.04 0.00 0.00 61.00 62.51 2yub s PRO 13 Cb -0.10 -1.98 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 2yub s PRO 13 CO 0.09 -1.01 0.44 0.98 0.04 0.00 0.00 177.00 177.54 2yub n TYR 14 N -1.75 -0.87 -4.01 0.56 9.36 -1.26 -4.83 117.16 114.36 2yub n TYR 14 Ca 0.11 0.58 -0.16 0.00 3.32 0.00 0.00 57.90 61.75 2yub n TYR 14 Cb 0.51 -1.94 -0.15 0.00 -0.63 0.00 0.00 39.34 37.13 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 -0.99 0.47 -0.00 2.98 0.01 -0.45 -5.05 113.70 110.66 2yub s SER 15 Ca 0.63 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.85 2yub s SER 15 Cb -0.58 -0.18 -0.00 0.00 0.21 0.00 0.00 66.02 65.47 2yub s SER 15 CO 0.59 -0.04 -0.03 -0.69 0.41 0.00 0.00 173.24 173.48 2yub s VAL 16 N 0.58 0.26 0.06 3.43 1.01 -1.26 -0.14 120.40 124.33 2yub s VAL 16 Ca -0.06 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 61.85 2yub s VAL 16 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 2yub s VAL 16 CO -0.01 0.08 -0.11 -0.89 0.00 0.00 0.00 175.10 174.17 2yub s THR 17 N -0.01 3.30 -0.03 3.92 2.01 -1.22 -4.98 115.64 118.63 2yub s THR 17 Ca 0.01 -1.11 0.06 0.00 0.31 0.00 0.00 61.69 60.95 2yub s THR 17 Cb -0.02 -2.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.00 2yub s THR 17 CO -0.00 0.25 -0.19 -0.22 -0.69 0.00 0.00 174.62 173.76 2yub s LEU 18 N -1.79 2.00 -0.11 4.42 2.96 -1.26 -2.12 118.68 122.78 2yub s LEU 18 Ca 0.18 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 2yub s LEU 18 Cb -0.11 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.55 2yub s LEU 18 CO 0.10 0.21 -0.18 0.27 -1.32 0.00 0.00 176.35 175.43 2yub s ILE 19 N -0.27 1.72 -0.37 6.68 -4.36 -0.75 -5.01 121.20 118.84 2yub s ILE 19 Ca 0.03 -0.79 0.02 0.00 -0.26 0.00 0.00 60.65 59.65 2yub s ILE 19 Cb -0.09 -1.54 0.11 0.00 1.25 0.00 0.00 42.46 42.19 2yub s ILE 19 CO 0.01 0.49 0.14 -0.94 0.24 0.00 0.00 174.94 174.87 2yub s SER 20 N 0.82 4.11 0.01 4.36 1.04 -1.26 -0.93 113.70 121.85 2yub s SER 20 Ca -0.09 -2.16 0.05 0.00 0.48 0.00 0.00 55.95 54.22 2yub s SER 20 Cb -0.16 -1.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.78 2yub s SER 20 CO 0.00 -0.35 -0.12 0.00 0.98 0.00 0.00 173.24 173.76 2yub s MET 21 N 0.92 2.39 0.91 4.02 0.23 -1.18 -4.98 119.30 121.62 2yub s MET 21 Ca 0.13 -0.80 -0.12 0.00 -1.03 0.00 0.00 55.69 53.87 2yub s MET 21 Cb -0.21 -2.38 0.14 0.00 -1.53 0.00 0.00 34.83 30.85 2yub s MET 21 CO -0.12 0.59 1.09 -1.25 -2.03 0.00 0.00 175.02 173.30 2yub s PRO 22 N -1.31 1.12 0.95 3.16 0.04 -1.26 -0.20 135.00 137.49 2yub s PRO 22 Ca 0.15 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 2yub s PRO 22 Cb -0.11 -1.80 0.19 0.00 0.04 0.00 0.00 34.50 32.83 2yub s PRO 22 CO 0.06 -2.32 1.31 0.00 0.04 0.00 0.00 177.00 176.08 2yub s ALA 23 N -2.94 2.28 -0.01 8.56 0.00 -1.07 -4.62 121.76 123.97 2yub s ALA 23 Ca 0.64 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2yub s ALA 23 Cb -0.18 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 2yub s ALA 23 CO 0.57 -2.38 -0.07 0.95 0.00 0.00 0.00 175.76 174.83 2yub s THR 24 N -3.86 0.57 -0.01 0.00 -4.23 -1.19 -4.93 115.64 101.98 2yub s THR 24 Ca 0.73 -0.31 0.12 0.00 -1.18 0.00 0.00 61.69 61.05 2yub s THR 24 Cb -0.04 -0.48 -0.17 0.00 1.34 0.00 0.00 72.50 73.14 2yub s THR 24 CO 0.53 0.16 0.99 0.00 -0.54 0.00 0.00 174.62 175.76 2yub h THR 25 N 4.98 1.10 -2.71 3.99 1.03 -1.96 -3.42 112.91 115.92 2yub h THR 25 Ca -0.29 -2.79 -0.56 0.00 -0.01 0.00 0.00 66.41 62.75 2yub h THR 25 Cb 1.18 2.51 -0.39 0.00 -1.07 0.00 0.00 68.15 70.38 2yub h THR 25 CO 0.50 0.63 -0.81 -1.61 -0.01 0.00 0.00 175.52 174.21 2yub s GLU 26 N -2.73 0.47 0.00 0.00 0.41 -1.26 -5.10 118.70 110.49 2yub s GLU 26 Ca -0.01 -1.08 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 2yub s GLU 26 Cb 0.09 -1.34 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 2yub s GLU 26 CO 0.81 -1.13 0.00 0.00 -0.49 0.00 0.00 175.26 174.45 2yub s ARG 28 N -0.29 0.66 0.00 0.00 3.03 -1.26 -5.07 118.95 116.02 2yub s ARG 28 Ca 0.00 -0.88 0.00 0.00 2.03 0.00 0.00 55.73 56.88 2yub s ARG 28 Cb 0.00 -0.70 0.00 0.00 -1.03 0.00 0.00 34.95 33.22 2yub s ARG 28 CO 0.00 -1.20 0.00 2.89 -1.13 0.00 0.00 175.30 175.86 2yub n ARG 29 N 4.20 0.00 0.00 3.89 0.00 -1.26 -4.57 116.66 118.91 2yub n ARG 29 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.97 2yub n ARG 29 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.92 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 0.19 3.64 2.89 0.00 -1.26 -4.71 105.19 105.93 2yub n GLY 30 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.10 -0.56 0.17 1.61 -0.71 -1.26 -0.44 117.98 115.68 2yub s PHE 31 Ca 0.00 1.36 0.04 0.00 -1.04 0.00 0.00 56.93 57.29 2yub s PHE 31 Cb 0.00 0.34 -0.04 0.00 -1.21 0.00 0.00 43.02 42.11 2yub s PHE 31 CO 0.00 -0.27 0.24 -1.54 -1.34 0.00 0.00 175.22 172.31 2yub s SER 32 N 0.26 6.02 0.05 1.98 1.04 0.63 -4.97 113.70 118.71 2yub s SER 32 Ca 0.02 0.04 0.02 0.00 0.48 0.00 0.00 55.95 56.51 2yub s SER 32 Cb -0.05 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.32 2yub s SER 32 CO -0.04 0.04 -0.07 0.68 0.98 0.00 0.00 173.24 174.83 2yub s VAL 33 N -1.79 0.50 -0.12 5.02 -7.23 -1.26 -2.70 120.40 112.82 2yub s VAL 33 Ca 0.33 -1.26 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 2yub s VAL 33 Cb -0.10 -0.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2yub s VAL 33 CO 0.27 -0.53 0.04 -0.89 -0.31 0.00 0.00 175.10 173.68 2yub s THR 34 N -1.96 4.66 -0.05 5.32 2.01 0.42 -4.78 115.64 121.27 2yub s THR 34 Ca -0.06 -0.10 0.04 0.00 0.31 0.00 0.00 61.69 61.88 2yub s THR 34 Cb -0.06 -3.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.43 2yub s THR 34 CO -0.01 0.57 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.63 2yub s VAL 35 N -0.52 1.37 0.27 3.82 1.01 -1.26 -2.34 120.40 122.74 2yub s VAL 35 Ca 0.10 -0.67 0.11 0.00 0.00 0.00 0.00 61.98 61.52 2yub s VAL 35 Cb -0.12 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 2yub s VAL 35 CO 0.02 0.40 -0.15 -1.61 0.00 0.00 0.00 175.10 173.76 2yub s GLU 36 N 0.11 1.83 0.15 2.72 2.02 -0.78 -5.04 118.70 119.71 2yub s GLU 36 Ca -0.05 -1.65 0.05 0.00 0.02 0.00 0.00 54.97 53.35 2yub s GLU 36 Cb -0.12 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.19 2yub s GLU 36 CO 0.02 0.35 -0.12 -1.54 0.02 0.00 0.00 175.26 173.99 2yub s SER 37 N -3.46 2.00 0.26 -0.19 1.04 -1.26 -3.30 113.70 108.79 2yub s SER 37 Ca 0.29 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.77 2yub s SER 37 Cb -0.06 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2yub s SER 37 CO 0.16 -0.25 0.00 0.00 0.98 0.00 0.00 173.24 174.13 2yub n ALA 38 N -0.03 2.41 -3.95 5.32 0.00 -1.26 -5.01 120.51 117.99 2yub n ALA 38 Ca -0.11 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.03 2yub n ALA 38 Cb 0.60 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.89 2yub n ALA 38 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2yub s SER 39 N -4.41 3.40 0.40 0.00 0.01 -1.26 -5.07 113.70 106.77 2yub s SER 39 Ca 0.00 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2yub s SER 39 Cb 0.00 -1.13 0.00 0.00 0.21 0.00 0.00 66.02 65.10 2yub s SER 39 CO 0.00 -0.19 0.00 -0.24 0.41 0.00 0.00 173.24 173.22 2yub n SER 40 N 4.73 -3.58 -1.61 2.44 2.88 -1.26 -3.78 113.62 113.44 2yub n SER 40 Ca -0.13 0.27 -0.06 0.00 -1.33 0.00 0.00 58.87 57.63 2yub n SER 40 Cb 0.46 -0.77 0.01 0.00 -0.75 0.00 0.00 64.21 63.16 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 -1.62 5.59 -4.44 -3.46 5.03 -1.26 -4.84 115.26 110.25 2yub n ASN 41 Ca 0.00 -2.62 -0.33 0.00 0.87 0.00 0.00 54.58 52.50 2yub n ASN 41 Cb 0.12 -1.07 -0.13 0.00 -1.02 0.00 0.00 39.78 37.67 2yub n ASN 41 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2yub s TYR 42 N -0.62 2.87 0.76 3.10 1.51 -1.25 -2.72 117.35 121.00 2yub s TYR 42 Ca 0.11 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.64 2yub s TYR 42 Cb 0.08 -1.84 0.05 0.00 -0.11 0.00 0.00 41.96 40.14 2yub s TYR 42 CO -0.00 -0.06 1.08 0.00 -1.11 0.00 0.00 175.55 175.47 2yub s ALA 43 N 0.11 2.31 0.00 3.71 0.00 -1.25 -4.34 121.76 122.30 2yub s ALA 43 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2yub s ALA 43 Cb -0.14 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.73 2yub s ALA 43 CO 0.04 -1.68 0.00 -2.37 0.00 0.00 0.00 175.76 171.75 2yub n THR 44 N -3.46 0.00 -4.05 0.00 5.66 -1.21 -4.25 114.28 106.98 2yub n THR 44 Ca 0.09 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.75 2yub n THR 44 Cb 0.53 -0.18 -0.15 0.00 -1.55 0.00 0.00 70.33 68.98 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 -1.49 2.42 -0.18 1.09 2.01 -1.26 -4.82 115.64 113.42 2yub s THR 45 Ca 0.00 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 60.92 2yub s THR 45 Cb 0.00 -2.18 0.04 0.00 0.01 0.00 0.00 72.50 70.38 2yub s THR 45 CO 0.00 0.31 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.47 2yub s VAL 46 N 1.28 1.37 0.11 3.82 1.01 -1.26 -1.87 120.40 124.86 2yub s VAL 46 Ca 0.01 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.26 2yub s VAL 46 Cb -0.16 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2yub s VAL 46 CO -0.08 0.17 -0.17 -1.10 0.00 0.00 0.00 175.10 173.91 2yub s GLN 47 N 1.52 1.07 -0.38 2.72 -0.21 -0.99 -2.13 119.66 121.26 2yub s GLN 47 Ca 0.00 -1.19 -0.29 0.00 0.02 0.00 0.00 55.36 53.90 2yub s GLN 47 Cb -0.16 -1.15 0.02 0.00 1.00 0.00 0.00 33.01 32.73 2yub s GLN 47 CO -0.08 0.25 1.15 0.08 -2.12 0.00 0.00 175.29 174.57 2yub s VAL 48 N -1.60 4.31 -0.02 1.09 1.01 -0.27 -0.44 120.40 124.48 2yub s VAL 48 Ca 0.07 1.43 -0.02 0.00 0.00 0.00 0.00 61.98 63.46 2yub s VAL 48 Cb -0.08 -4.45 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2yub s VAL 48 CO 0.04 -0.70 0.22 0.50 0.00 0.00 0.00 175.10 175.16 2yub h LYS 49 N 8.84 -0.08 -5.31 2.72 3.64 -1.82 0.56 116.57 125.12 2yub h LYS 49 Ca -0.23 0.01 -0.40 0.00 -1.27 0.00 0.00 60.65 58.76 2yub h LYS 49 Cb 1.07 0.02 -0.20 0.00 -0.41 0.00 0.00 32.23 32.71 2yub h LYS 49 CO 1.07 -0.05 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.23 2yub s GLU 50 N -1.69 0.88 -0.08 1.90 0.41 -1.10 -4.19 118.70 114.84 2yub s GLU 50 Ca -0.01 -1.06 -0.03 0.00 -0.41 0.00 0.00 54.97 53.45 2yub s GLU 50 Cb 0.00 -0.80 0.04 0.00 -1.78 0.00 0.00 34.13 31.59 2yub s GLU 50 CO 0.04 0.16 0.16 0.08 -0.49 0.00 0.00 175.26 175.21 2yub s VAL 51 N -1.69 -0.15 -0.24 2.63 1.01 -1.26 -0.27 120.40 120.43 2yub s VAL 51 Ca 0.02 0.26 -0.10 0.00 0.00 0.00 0.00 61.98 62.16 2yub s VAL 51 Cb -0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 36.38 35.99 2yub s VAL 51 CO 0.02 0.11 0.15 0.20 0.00 0.00 0.00 175.10 175.58 2yub s ASN 52 N 1.71 5.96 0.04 3.32 0.02 0.41 -4.80 114.94 121.59 2yub s ASN 52 Ca -0.03 0.05 -0.16 0.00 -1.02 0.00 0.00 52.86 51.70 2yub s ASN 52 Cb -0.12 -2.08 -0.30 0.00 0.02 0.00 0.00 41.25 38.78 2yub s ASN 52 CO -0.06 0.04 1.07 0.03 0.02 0.00 0.00 177.10 178.21 2yub h ARG 53 N 7.68 0.58 -0.37 -0.60 3.08 -1.96 -2.96 114.38 119.83 2yub h ARG 53 Ca -0.37 -0.80 0.11 0.00 0.07 0.00 0.00 59.98 58.99 2yub h ARG 53 Cb 1.17 0.27 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 2yub h ARG 53 CO 0.63 1.36 0.30 0.52 -1.07 0.00 0.00 179.97 181.71 2yub h MET 54 N 0.19 0.00 0.00 0.04 2.86 -1.94 -1.81 114.93 114.27 2yub h MET 54 Ca -0.19 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.44 2yub h MET 54 Cb 1.88 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.54 2yub h MET 54 CO 0.23 0.00 -0.08 0.45 1.06 0.00 0.00 176.91 178.57 2yub h HIS 55 N 0.00 0.00 0.00 -0.22 3.86 -1.86 -3.43 115.15 113.50 2yub h HIS 55 Ca 0.18 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.39 2yub h HIS 55 Cb 0.77 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.24 2yub h HIS 55 CO 0.00 0.76 0.00 -0.89 0.86 0.00 0.00 177.93 178.66 2yub n ILE 56 N -4.64 0.00 0.00 2.45 5.41 -0.94 -4.98 119.36 116.66 2yub n ILE 56 Ca -0.09 0.47 0.00 0.00 1.00 0.00 0.00 62.75 64.14 2yub n ILE 56 Cb 0.37 -1.24 0.00 0.00 -0.71 0.00 0.00 39.64 38.06 2yub n ILE 56 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2yub n SER 57 N -0.12 0.00 -4.58 4.38 2.88 -0.73 -5.06 113.62 110.40 2yub n SER 57 Ca 0.00 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.26 2yub n SER 57 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 2yub n SER 57 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 2yub s PRO 58 N -1.57 2.51 0.03 -1.46 0.04 -1.26 -3.67 135.00 129.61 2yub s PRO 58 Ca 0.00 -0.97 0.00 0.00 0.04 0.00 0.00 61.00 60.07 2yub s PRO 58 Cb 0.00 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.34 2yub s PRO 58 CO 0.00 -3.85 0.00 -1.71 0.04 0.00 0.00 177.00 171.48 2yub n ASN 59 N 14.31 -0.23 -0.35 6.66 2.85 -1.26 -4.93 115.26 132.31 2yub n ASN 59 Ca 0.44 0.15 0.09 0.00 -0.11 0.00 0.00 54.58 55.15 2yub n ASN 59 Cb 0.47 0.39 0.40 0.00 1.24 0.00 0.00 39.78 42.27 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 -2.06 1.05 0.12 1.20 3.02 -1.24 -3.85 115.26 113.50 2yub n ASN 60 Ca 0.00 -1.65 0.10 0.00 -0.03 0.00 0.00 54.58 53.00 2yub n ASN 60 Cb 0.00 -0.08 0.48 0.00 -0.61 0.00 0.00 39.78 39.58 2yub n ASN 60 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 2yub n ARG 61 N -0.07 0.15 0.09 3.52 0.00 -1.24 -1.52 116.66 117.59 2yub n ARG 61 Ca 0.14 0.50 0.02 0.00 -0.00 0.00 0.00 57.85 58.51 2yub n ARG 61 Cb 0.22 -1.85 -0.02 0.00 -0.00 0.00 0.00 32.46 30.81 2yub n ARG 61 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.63 176.66 2yub h ASN 62 N 0.00 0.00 0.91 2.89 -0.73 -1.92 -3.26 115.58 113.47 2yub h ASN 62 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2yub h ASN 62 Cb 0.20 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.79 2yub h ASN 62 CO 0.00 0.49 0.00 0.00 -0.37 0.00 0.00 177.43 177.55 2yub n ALA 63 N -2.29 2.08 -2.32 1.57 0.00 -0.58 -4.82 120.51 114.15 2yub n ALA 63 Ca -0.03 -0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 2yub n ALA 63 Cb 0.76 -1.40 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.04 0.16 -0.09 0.00 2.07 -1.23 -4.89 121.20 114.17 2yub s ILE 64 Ca 0.11 -1.58 -0.32 0.00 -1.41 0.00 0.00 60.65 57.45 2yub s ILE 64 Cb 0.15 -1.59 0.12 0.00 0.13 0.00 0.00 42.46 41.27 2yub s ILE 64 CO 0.45 -0.71 1.14 -1.00 -1.91 0.00 0.00 174.94 172.91 2yub s HIS 65 N -3.93 -0.16 -0.82 3.50 3.76 -1.26 -4.81 115.29 111.57 2yub s HIS 65 Ca 0.11 0.06 -0.25 0.00 -0.15 0.00 0.00 55.06 54.83 2yub s HIS 65 Cb 0.06 0.53 -0.04 0.00 1.11 0.00 0.00 32.58 34.25 2yub s HIS 65 CO -0.07 -0.34 1.92 -1.25 -0.85 0.00 0.00 174.74 174.16 2yub s PRO 66 N -2.64 2.57 0.00 8.40 0.04 -1.26 -2.55 135.00 139.57 2yub s PRO 66 Ca 0.10 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2yub s PRO 66 Cb 0.00 -4.87 0.00 0.00 0.04 0.00 0.00 34.50 29.67 2yub s PRO 66 CO -0.05 -3.20 0.00 0.41 0.04 0.00 0.00 177.00 174.20 2yub n GLY 67 N 6.53 1.37 3.10 0.56 0.00 0.19 -4.93 105.19 112.01 2yub n GLY 67 Ca 0.35 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.32 -4.37 1.61 8.00 -1.06 -4.43 116.55 112.98 2yub n ASP 68 Ca 0.00 -0.53 -0.25 0.00 0.71 0.00 0.00 54.79 54.72 2yub n ASP 68 Cb 0.00 -0.86 -0.12 0.00 -0.02 0.00 0.00 41.12 40.12 2yub n ASP 68 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2yub s ARG 69 N -3.99 1.38 -0.01 -1.24 3.52 -1.26 -1.11 118.95 116.23 2yub s ARG 69 Ca 0.47 -1.42 0.05 0.00 -0.13 0.00 0.00 55.73 54.70 2yub s ARG 69 Cb -0.09 -1.62 -0.03 0.00 -1.56 0.00 0.00 34.95 31.65 2yub s ARG 69 CO 0.42 0.35 -0.15 0.42 -0.81 0.00 0.00 175.30 175.54 2yub s ILE 70 N -1.67 3.04 -0.11 4.11 1.01 -0.90 -3.65 121.20 123.03 2yub s ILE 70 Ca 0.17 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 2yub s ILE 70 Cb -0.08 -2.24 -0.07 0.00 0.01 0.00 0.00 42.46 40.08 2yub s ILE 70 CO 0.08 0.47 -0.11 0.18 0.00 0.00 0.00 174.94 175.56 2yub n LEU 71 N 1.91 2.53 -3.94 2.97 4.32 -1.23 -4.68 117.00 118.88 2yub n LEU 71 Ca -0.16 -0.02 -0.09 0.00 -0.02 0.00 0.00 56.01 55.72 2yub n LEU 71 Cb 0.52 -0.37 -0.08 0.00 -1.62 0.00 0.00 43.42 41.88 2yub n LEU 71 CO 0.27 0.59 -0.11 -1.61 -1.22 0.00 0.00 177.39 175.30 2yub s GLU 72 N -2.21 0.93 -0.05 3.23 2.02 -1.26 -3.06 118.70 118.30 2yub s GLU 72 Ca -0.15 -1.10 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 2yub s GLU 72 Cb 0.04 0.33 0.03 0.00 0.10 0.00 0.00 34.13 34.64 2yub s GLU 72 CO 0.24 -0.30 0.11 0.42 0.02 0.00 0.00 175.26 175.74 2yub s ILE 73 N -3.92 -0.05 -0.80 -1.63 1.01 0.27 -1.44 121.20 114.64 2yub s ILE 73 Ca 0.11 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.95 2yub s ILE 73 Cb 0.05 -0.19 0.00 0.00 0.01 0.00 0.00 42.46 42.33 2yub s ILE 73 CO -0.06 0.08 0.00 0.59 0.00 0.00 0.00 174.94 175.55 2yub n ASN 74 N 4.15 -5.19 -0.15 3.58 3.02 0.39 -2.14 115.26 118.92 2yub n ASN 74 Ca -0.26 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 2yub n ASN 74 Cb 0.51 -3.35 0.00 0.00 -0.61 0.00 0.00 39.78 36.33 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 -0.35 1.05 3.24 7.41 0.00 -1.26 -4.90 105.19 110.37 2yub n GLY 75 Ca -0.08 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.29 0.03 0.18 2.61 -4.23 -0.91 -5.15 115.64 105.88 2yub s THR 76 Ca 0.00 -0.22 -0.30 0.00 -1.18 0.00 0.00 61.69 59.99 2yub s THR 76 Cb 0.00 -0.55 -0.08 0.00 1.34 0.00 0.00 72.50 73.21 2yub s THR 76 CO 0.00 -0.12 1.31 -2.16 -0.54 0.00 0.00 174.62 173.11 2yub s PRO 77 N -0.53 4.38 0.07 3.99 0.04 -1.26 -0.56 135.00 141.13 2yub s PRO 77 Ca -0.06 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 2yub s PRO 77 Cb -0.04 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 2yub s PRO 77 CO 0.02 -0.28 1.46 -0.39 0.04 0.00 0.00 177.00 177.86 2yub h VAL 78 N 3.85 1.29 -1.52 -0.36 -1.51 -1.87 -1.31 116.25 114.82 2yub h VAL 78 Ca -0.44 -1.05 0.44 0.00 -1.23 0.00 0.00 66.70 64.42 2yub h VAL 78 Cb 1.21 1.52 -0.07 0.00 -2.13 0.00 0.00 31.29 31.83 2yub h VAL 78 CO 0.79 0.32 1.09 0.08 -1.23 0.00 0.00 177.57 178.62 2yub h ARG 79 N 0.16 0.02 0.05 5.19 0.11 -1.84 0.27 114.38 118.33 2yub h ARG 79 Ca 0.06 -0.00 -0.36 0.00 0.10 0.00 0.00 59.98 59.77 2yub h ARG 79 Cb 0.52 -0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.54 2yub h ARG 79 CO 0.02 0.01 -2.18 0.25 0.10 0.00 0.00 179.97 178.17 2yub n THR 80 N -4.12 1.60 -1.95 0.08 -2.24 -1.10 -4.40 114.28 102.15 2yub n THR 80 Ca 0.34 -0.67 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 2yub n THR 80 Cb 1.57 -1.35 -0.03 0.00 -2.10 0.00 0.00 70.33 68.42 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 -6.51 4.12 0.85 3.22 1.43 0.94 -4.87 118.68 117.86 2yub s LEU 81 Ca -0.23 2.07 -0.13 0.00 -1.03 0.00 0.00 54.13 54.81 2yub s LEU 81 Cb 0.08 -3.53 0.04 0.00 0.03 0.00 0.00 46.19 42.81 2yub s LEU 81 CO 0.73 -1.15 0.72 0.54 0.23 0.00 0.00 176.35 177.41 2yub n ARG 82 N 7.51 -0.04 -0.23 1.70 1.74 -1.26 -3.83 116.66 122.25 2yub n ARG 82 Ca 0.19 0.05 -0.00 0.00 -0.77 0.00 0.00 57.85 57.32 2yub n ARG 82 Cb 0.43 -2.05 0.07 0.00 -1.02 0.00 0.00 32.46 29.89 2yub n ARG 82 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2yub h VAL 83 N -1.13 0.30 -0.11 1.55 2.07 -1.85 0.59 116.25 117.67 2yub h VAL 83 Ca -0.45 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.06 2yub h VAL 83 Cb 1.30 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2yub h VAL 83 CO 0.40 0.00 -0.01 1.05 0.02 0.00 0.00 177.57 179.03 2yub h GLU 84 N -0.02 0.15 0.00 1.57 4.11 -1.89 0.14 114.58 118.64 2yub h GLU 84 Ca 0.32 -0.02 -0.15 0.00 0.07 0.00 0.00 59.36 59.58 2yub h GLU 84 Cb 0.50 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 2yub h GLU 84 CO -0.70 0.18 -0.69 0.93 0.07 0.00 0.00 179.01 178.80 2yub h GLU 85 N 0.15 0.00 0.00 1.06 3.07 -0.27 -1.70 114.58 116.89 2yub h GLU 85 Ca 0.04 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.69 2yub h GLU 85 Cb 0.13 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 2yub h GLU 85 CO 0.00 0.69 -1.23 0.28 -1.40 0.00 0.00 179.01 177.35 2yub h VAL 86 N 0.00 1.04 0.00 3.13 2.07 0.29 -3.21 116.25 119.57 2yub h VAL 86 Ca -0.01 -2.69 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 2yub h VAL 86 Cb 1.30 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 33.53 2yub h VAL 86 CO 0.09 0.59 -0.00 -0.33 0.02 0.00 0.00 177.57 177.94 2yub h GLU 87 N 0.00 -0.00 -0.08 1.57 5.08 -0.75 -3.35 114.58 117.05 2yub h GLU 87 Ca -0.13 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 2yub h GLU 87 Cb 1.74 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.95 2yub h GLU 87 CO 0.09 0.90 -0.18 0.22 -1.00 0.00 0.00 179.01 179.03 2yub h ASP 88 N -0.93 -0.54 -0.94 1.42 1.82 -1.47 -1.76 116.42 114.02 2yub h ASP 88 Ca -0.00 0.09 0.39 0.00 -0.39 0.00 0.00 57.03 57.12 2yub h ASP 88 Cb 0.90 0.24 -0.17 0.00 0.68 0.00 0.00 39.33 40.99 2yub h ASP 88 CO 0.00 -0.23 0.51 0.00 -1.61 0.00 0.00 179.24 177.90 2yub n ALA 89 N -2.58 0.97 -0.06 -0.78 0.00 -1.21 0.12 120.51 116.96 2yub n ALA 89 Ca -0.04 0.95 -0.12 0.00 0.00 0.00 0.00 53.44 54.24 2yub n ALA 89 Cb 0.23 -0.95 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 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 1.29 -0.12 0.00 1.08 -1.45 -2.80 117.51 115.50 2yub h ILE 90 Ca 0.80 -1.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2yub h ILE 90 Cb 2.11 1.59 0.00 0.00 -3.07 0.00 0.00 36.82 37.45 2yub h ILE 90 CO -0.72 0.30 0.00 2.29 -0.69 0.00 0.00 178.15 179.33 2yub n LYS 91 N -4.66 1.44 -1.96 2.37 2.85 0.32 -4.54 118.16 113.97 2yub n LYS 91 Ca -0.05 -0.67 -0.42 0.00 -1.05 0.00 0.00 58.31 56.12 2yub n LYS 91 Cb 0.27 -1.31 0.00 0.00 -0.65 0.00 0.00 35.03 33.33 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 -0.08 3.24 -1.87 -1.58 1.13 0.31 -4.82 117.38 113.72 2yub n GLN 92 Ca 0.14 -2.98 -0.38 0.00 -1.94 0.00 0.00 57.00 51.83 2yub n GLN 92 Cb 0.21 -3.11 -0.01 0.00 0.11 0.00 0.00 30.24 27.44 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 4.24 4.95 0.00 5.09 -2.24 -1.26 -4.11 114.28 120.94 2yub n THR 93 Ca 0.48 -4.00 0.00 0.00 -2.27 0.00 0.00 64.05 58.26 2yub n THR 93 Cb 0.37 -2.07 0.00 0.00 -2.10 0.00 0.00 70.33 66.53 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 1.80 4.19 -2.74 3.42 7.64 -1.26 -3.19 113.62 123.47 2yub n SER 94 Ca 0.62 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.36 2yub n SER 94 Cb 0.28 0.39 -0.05 0.00 -1.01 0.00 0.00 64.21 63.83 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 -1.82 0.46 -1.69 1.43 6.02 -1.26 -4.66 117.38 115.86 2yub n GLN 95 Ca 0.00 -2.24 -0.43 0.00 -0.01 0.00 0.00 57.00 54.32 2yub n GLN 95 Cb 0.43 1.55 -0.03 0.00 1.02 0.00 0.00 30.24 33.21 2yub n GLN 95 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2yub s THR 96 N -2.75 3.10 -0.48 5.09 2.01 -1.26 -2.59 115.64 118.77 2yub s THR 96 Ca 0.21 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.13 2yub s THR 96 Cb 0.01 -3.12 0.04 0.00 0.01 0.00 0.00 72.50 69.45 2yub s THR 96 CO 0.15 -0.06 0.59 -0.22 -0.69 0.00 0.00 174.62 174.39 2yub s LEU 97 N 7.02 4.86 0.02 4.42 2.96 0.71 -4.92 118.68 133.76 2yub s LEU 97 Ca 0.94 -0.76 -0.13 0.00 -0.22 0.00 0.00 54.13 53.95 2yub s LEU 97 Cb -0.34 -2.49 -0.06 0.00 0.50 0.00 0.00 46.19 43.80 2yub s LEU 97 CO 0.36 -0.81 0.41 -1.58 -1.32 0.00 0.00 176.35 173.41 2yub s GLN 98 N 2.57 3.87 0.03 1.98 0.74 -1.26 -3.12 119.66 124.47 2yub s GLN 98 Ca 0.16 0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.95 2yub s GLN 98 Cb -0.18 -3.15 -0.02 0.00 1.10 0.00 0.00 33.01 30.76 2yub s GLN 98 CO 0.14 0.65 -0.12 -0.51 -0.55 0.00 0.00 175.29 174.90 2yub s LEU 99 N -1.32 2.14 0.12 3.68 1.43 -0.10 -0.46 118.68 124.16 2yub s LEU 99 Ca 0.26 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.03 2yub s LEU 99 Cb -0.16 -0.49 -0.04 0.00 0.03 0.00 0.00 46.19 45.53 2yub s LEU 99 CO 0.15 0.02 0.08 -0.22 0.23 0.00 0.00 176.35 176.61 2yub s LEU 100 N -0.92 3.72 0.05 1.79 1.98 -0.52 -1.82 118.68 122.97 2yub s LEU 100 Ca 0.00 -0.10 0.01 0.00 -2.89 0.00 0.00 54.13 51.15 2yub s LEU 100 Cb -0.07 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.36 2yub s LEU 100 CO 0.01 0.13 -0.05 -0.63 -1.89 0.00 0.00 176.35 173.92 2yub s ILE 101 N -1.52 0.36 -0.15 6.68 -1.09 -0.90 -3.58 121.20 121.00 2yub s ILE 101 Ca 0.29 -1.43 -0.01 0.00 -2.23 0.00 0.00 60.65 57.27 2yub s ILE 101 Cb -0.11 -1.01 -0.01 0.00 -1.58 0.00 0.00 42.46 39.75 2yub s ILE 101 CO 0.22 -0.70 -0.11 -0.70 -1.23 0.00 0.00 174.94 172.42 2yub s GLU 102 N -2.72 3.38 -0.10 2.79 2.12 -1.24 -3.39 118.70 119.55 2yub s GLU 102 Ca -0.02 -0.67 0.01 0.00 0.36 0.00 0.00 54.97 54.65 2yub s GLU 102 Cb -0.01 -2.73 0.02 0.00 0.26 0.00 0.00 34.13 31.67 2yub s GLU 102 CO -0.04 0.11 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.68 2yub s HIS 103 N 0.63 1.52 0.30 5.30 3.76 0.80 -4.80 115.29 122.81 2yub s HIS 103 Ca -0.06 -0.69 0.05 0.00 -0.15 0.00 0.00 55.06 54.21 2yub s HIS 103 Cb -0.15 -1.19 -0.06 0.00 1.11 0.00 0.00 32.58 32.29 2yub s HIS 103 CO 0.03 -0.42 0.01 0.16 -0.85 0.00 0.00 174.74 173.66 2yub s ASP 104 N 1.25 2.48 0.26 1.40 1.47 -1.26 -1.34 116.67 120.92 2yub s ASP 104 Ca -0.03 -1.29 0.03 0.00 1.18 0.00 0.00 52.55 52.43 2yub s ASP 104 Cb -0.14 -0.11 0.33 0.00 -0.34 0.00 0.00 42.92 42.66 2yub s ASP 104 CO -0.03 -0.50 1.63 1.55 0.68 0.00 0.00 175.17 178.50 2yub h PRO 105 N 2.21 0.36 -6.31 2.11 0.13 -1.88 -3.44 132.00 125.18 2yub h PRO 105 Ca -0.40 -0.19 -0.56 0.00 -0.87 0.00 0.00 66.00 63.98 2yub h PRO 105 Cb 1.24 0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.33 2yub h PRO 105 CO 0.69 0.74 -0.03 0.08 -0.23 0.00 0.00 178.00 179.25 2yub s VAL 106 N -4.11 4.75 0.89 1.56 1.01 -1.26 -5.04 120.40 118.20 2yub s VAL 106 Ca -0.05 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 2yub s VAL 106 Cb 0.13 -3.85 0.13 0.00 0.00 0.00 0.00 36.38 32.78 2yub s VAL 106 CO 0.80 0.42 1.09 -2.16 0.00 0.00 0.00 175.10 175.25 2yub s PRO 107 N -1.47 1.30 -0.74 2.72 0.04 -1.26 -4.90 135.00 130.69 2yub s PRO 107 Ca 0.33 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 61.94 2yub s PRO 107 Cb -0.18 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 2yub s PRO 107 CO 0.19 -2.22 1.91 -0.65 0.04 0.00 0.00 177.00 176.28 2yub s GLN 108 N -4.94 2.58 -0.25 4.56 -0.21 -1.26 -4.86 119.66 115.28 2yub s GLN 108 Ca 0.63 0.22 -0.27 0.00 0.02 0.00 0.00 55.36 55.97 2yub s GLN 108 Cb -0.18 -4.69 0.14 0.00 1.00 0.00 0.00 33.01 29.29 2yub s GLN 108 CO 0.57 -3.03 1.14 0.50 -2.12 0.00 0.00 175.29 172.35 2yub s ARG 109 N 7.05 0.39 0.25 2.91 3.52 -1.26 -5.04 118.95 126.77 2yub s ARG 109 Ca 0.69 0.32 -0.12 0.00 -0.13 0.00 0.00 55.73 56.48 2yub s ARG 109 Cb -0.10 0.19 0.34 0.00 -1.56 0.00 0.00 34.95 33.82 2yub s ARG 109 CO 0.11 -0.08 1.50 -0.11 -0.81 0.00 0.00 175.30 175.91 2yub n LEU 110 N 1.54 -0.48 -3.64 -0.88 0.00 -1.26 -4.63 117.00 107.65 2yub n LEU 110 Ca -0.10 1.67 -0.07 0.00 0.00 0.00 0.00 56.01 57.51 2yub n LEU 110 Cb 0.57 -0.44 -0.07 0.00 0.00 0.00 0.00 43.42 43.48 2yub n LEU 110 CO 0.06 -1.55 0.72 1.51 0.00 0.00 0.00 177.39 178.13 2yub s ASP 111 N -5.30 -0.48 0.19 1.96 -4.77 -1.26 -5.14 116.67 101.88 2yub s ASP 111 Ca -0.14 0.85 -0.33 0.00 -3.30 0.00 0.00 52.55 49.64 2yub s ASP 111 Cb 0.23 0.98 -0.13 0.00 -1.09 0.00 0.00 42.92 42.92 2yub s ASP 111 CO 0.72 -0.14 1.67 0.00 0.70 0.00 0.00 175.17 178.12 2yub n GLN 112 N 2.75 2.55 -2.66 2.11 -0.00 -1.26 -4.95 117.38 115.92 2yub n GLN 112 Ca -0.15 0.92 -0.40 0.00 -0.00 0.00 0.00 57.00 57.37 2yub n GLN 112 Cb 0.57 -2.74 -0.05 0.00 -0.00 0.00 0.00 30.24 28.02 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2yub s SER 113 N 1.13 7.49 -0.42 2.61 0.15 -1.26 -4.99 113.70 118.40 2yub s SER 113 Ca 0.77 1.98 0.11 0.00 0.70 0.00 0.00 55.95 59.50 2yub s SER 113 Cb -0.57 -2.61 0.38 0.00 -1.71 0.00 0.00 66.02 61.52 2yub s SER 113 CO 0.34 -0.01 0.90 0.61 1.20 0.00 0.00 173.24 176.28 2yub n GLY 114 N 1.75 4.01 0.19 9.45 0.00 -1.26 -5.10 105.19 114.22 2yub n GLY 114 Ca 0.00 -2.05 -0.02 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.06 -1.14 -0.96 1.61 -0.04 -1.26 -4.94 135.00 128.21 2yub n PRO 115 Ca 0.25 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2yub n PRO 115 Cb 0.63 -0.09 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 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 -3.10 -4.03 -4.70 3.54 7.64 -1.26 -4.94 113.62 106.76 2yub n SER 116 Ca 0.01 0.40 -0.38 0.00 1.01 0.00 0.00 58.87 59.91 2yub n SER 116 Cb 0.03 -2.18 0.05 0.00 -1.01 0.00 0.00 64.21 61.10 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 0.55 2.03 0.00 6.43 2.88 -1.26 -5.31 113.62 118.94 2yub n SER 117 Ca 0.00 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2yub n SER 117 Cb 0.00 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 61.94 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42