#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 -0.51 0.41 1.61 0.01 -1.26 -5.16 113.70 108.80 2yub s SER 2 Ca 0.00 0.34 0.07 0.00 1.31 0.00 0.00 55.95 57.67 2yub s SER 2 Cb 0.00 1.58 -0.04 0.00 0.21 0.00 0.00 66.02 67.77 2yub s SER 2 CO 0.00 -0.30 0.28 -0.55 0.41 0.00 0.00 173.24 173.08 2yub s SER 3 N 2.69 4.73 0.00 2.44 0.15 -1.26 -5.01 113.70 117.44 2yub s SER 3 Ca 0.15 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2yub s SER 3 Cb -0.14 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2yub s SER 3 CO -0.21 -0.60 0.00 0.61 1.20 0.00 0.00 173.24 174.24 2yub n GLY 4 N -1.39 0.75 3.64 9.45 0.00 -1.26 -5.17 105.19 111.21 2yub n GLY 4 Ca 0.01 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.36 2yub n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yub s SER 5 N -0.22 -0.03 -0.14 1.61 0.15 -1.26 -5.17 113.70 108.63 2yub s SER 5 Ca 0.00 0.00 -0.08 0.00 0.70 0.00 0.00 55.95 56.57 2yub s SER 5 Cb 0.00 0.03 0.05 0.00 -1.71 0.00 0.00 66.02 64.40 2yub s SER 5 CO 0.00 -0.06 0.35 -0.44 1.20 0.00 0.00 173.24 174.29 2yub s SER 6 N -2.00 -0.41 0.00 5.45 0.01 -1.26 -5.12 113.70 110.36 2yub s SER 6 Ca 0.11 0.75 0.00 0.00 1.31 0.00 0.00 55.95 58.12 2yub s SER 6 Cb -0.01 0.64 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2yub s SER 6 CO -0.03 -0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2yub n GLY 7 N 4.08 3.89 1.77 3.44 0.00 -1.26 -4.98 105.19 112.13 2yub n GLY 7 Ca -0.23 -0.97 -0.06 0.00 0.00 0.00 0.00 46.02 44.77 2yub n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2yub n VAL 8 N 0.00 2.84 -3.77 1.61 0.24 -1.26 -4.82 118.33 113.16 2yub n VAL 8 Ca 0.00 -1.86 -0.30 0.00 -2.04 0.00 0.00 64.34 60.15 2yub n VAL 8 Cb 0.00 -0.35 -0.15 0.00 -1.47 0.00 0.00 33.84 31.87 2yub n VAL 8 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2yub s GLN 9 N -3.05 0.83 -0.37 7.34 -2.07 -1.26 -4.98 119.66 116.10 2yub s GLN 9 Ca 0.52 -1.09 0.13 0.00 -1.82 0.00 0.00 55.36 53.10 2yub s GLN 9 Cb 0.43 -2.15 0.39 0.00 -1.09 0.00 0.00 33.01 30.59 2yub s GLN 9 CO 0.11 -0.93 0.97 -0.25 -1.32 0.00 0.00 175.29 173.86 2yub n ASP 10 N 4.80 0.14 -2.30 12.60 8.00 -1.26 -5.07 116.55 133.45 2yub n ASP 10 Ca -0.03 -2.92 -0.01 0.00 0.71 0.00 0.00 54.79 52.55 2yub n ASP 10 Cb 0.43 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 2yub n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yub n GLN 11 N 0.03 -4.80 -2.20 -1.24 1.13 -1.26 -4.92 117.38 104.11 2yub n GLN 11 Ca 0.12 3.53 -0.38 0.00 -1.94 0.00 0.00 57.00 58.33 2yub n GLN 11 Cb 0.75 -4.52 -0.01 0.00 0.11 0.00 0.00 30.24 26.57 2yub n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2yub s LEU 12 N -0.57 4.13 0.27 1.08 1.43 -1.26 -4.98 118.68 118.77 2yub s LEU 12 Ca -0.04 2.42 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2yub s LEU 12 Cb 0.00 -4.07 -0.10 0.00 0.03 0.00 0.00 46.19 42.05 2yub s LEU 12 CO 0.11 -0.83 1.25 -2.16 0.23 0.00 0.00 176.35 174.95 2yub s PRO 13 N -2.43 4.44 0.00 1.29 0.04 -1.26 -5.00 135.00 132.08 2yub s PRO 13 Ca 0.60 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.69 2yub s PRO 13 Cb -0.32 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.07 2yub s PRO 13 CO 0.40 -0.11 0.00 2.48 0.04 0.00 0.00 177.00 179.81 2yub n TYR 14 N 1.54 0.00 -4.18 0.56 0.18 -1.26 -4.87 117.16 109.13 2yub n TYR 14 Ca 0.02 0.00 -0.18 0.00 1.88 0.00 0.00 57.90 59.62 2yub n TYR 14 Cb 0.43 0.00 -0.12 0.00 -0.38 0.00 0.00 39.34 39.27 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 -2.66 1.68 -0.04 9.48 1.04 -1.23 -5.09 113.70 116.87 2yub s SER 15 Ca 0.00 -0.68 -0.09 0.00 0.48 0.00 0.00 55.95 55.66 2yub s SER 15 Cb 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.09 2yub s SER 15 CO 0.00 -0.12 0.21 -0.69 0.98 0.00 0.00 173.24 173.62 2yub s VAL 16 N -1.60 0.04 -0.02 5.02 1.01 -1.26 -2.04 120.40 121.55 2yub s VAL 16 Ca 0.01 -0.31 0.07 0.00 0.00 0.00 0.00 61.98 61.75 2yub s VAL 16 Cb -0.08 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2yub s VAL 16 CO 0.02 -0.17 -0.23 -0.89 0.00 0.00 0.00 175.10 173.83 2yub s THR 17 N -0.63 2.34 -0.01 3.92 2.01 -0.92 -5.00 115.64 117.35 2yub s THR 17 Ca -0.07 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 60.93 2yub s THR 17 Cb -0.04 -1.85 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2yub s THR 17 CO 0.01 0.55 -0.16 -0.22 -0.69 0.00 0.00 174.62 174.12 2yub s LEU 18 N -0.74 2.02 -0.08 4.42 1.98 -1.26 -1.54 118.68 123.48 2yub s LEU 18 Ca 0.11 -0.28 -0.02 0.00 -2.89 0.00 0.00 54.13 51.05 2yub s LEU 18 Cb -0.10 -0.81 0.03 0.00 0.66 0.00 0.00 46.19 45.98 2yub s LEU 18 CO -0.00 0.19 0.02 0.27 -1.89 0.00 0.00 176.35 174.94 2yub s ILE 19 N -0.35 0.24 -0.37 6.68 -4.36 -0.99 -5.01 121.20 117.04 2yub s ILE 19 Ca 0.06 0.13 0.03 0.00 -0.26 0.00 0.00 60.65 60.61 2yub s ILE 19 Cb -0.06 -0.48 0.11 0.00 1.25 0.00 0.00 42.46 43.28 2yub s ILE 19 CO -0.01 0.18 0.11 -0.55 0.24 0.00 0.00 174.94 174.91 2yub s SER 20 N 2.02 4.49 0.03 4.36 0.15 -1.26 -1.73 113.70 121.76 2yub s SER 20 Ca 0.04 -2.24 0.08 0.00 0.70 0.00 0.00 55.95 54.53 2yub s SER 20 Cb -0.13 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.70 2yub s SER 20 CO -0.05 -0.35 -0.23 -0.04 1.20 0.00 0.00 173.24 173.76 2yub s MET 21 N 0.79 1.93 0.07 5.44 -1.94 -1.23 -4.95 119.30 119.42 2yub s MET 21 Ca 0.12 -1.04 -0.31 0.00 -1.71 0.00 0.00 55.69 52.75 2yub s MET 21 Cb -0.20 -2.06 -0.07 0.00 2.01 0.00 0.00 34.83 34.51 2yub s MET 21 CO -0.09 0.53 1.39 -1.25 -0.01 0.00 0.00 175.02 175.59 2yub s PRO 22 N -1.23 4.31 0.00 2.03 0.04 -1.26 -0.68 135.00 138.21 2yub s PRO 22 Ca 0.12 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.20 2yub s PRO 22 Cb -0.10 -3.37 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2yub s PRO 22 CO 0.03 -0.48 0.00 0.00 0.04 0.00 0.00 177.00 176.58 2yub n ALA 23 N 4.47 0.00 -3.12 8.56 0.00 0.42 -4.86 120.51 125.99 2yub n ALA 23 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2yub n ALA 23 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.00 0.00 0.00 -2.24 -1.26 -4.67 114.28 106.10 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 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2yub n THR 24 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2yub n THR 25 N 0.00 0.00 0.02 4.28 -2.24 -1.26 -4.82 114.28 110.26 2yub n THR 25 Ca 0.00 1.30 0.00 0.00 -2.27 0.00 0.00 64.05 63.08 2yub n THR 25 Cb 0.00 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.46 2yub n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2yub n GLU 26 N -2.53 0.00 -2.68 -0.78 1.02 -1.26 -5.01 120.64 109.40 2yub n GLU 26 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 2yub n GLU 26 Cb 0.00 0.00 0.13 0.00 -0.02 0.00 0.00 31.44 31.55 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 0.03 0.24 0.32 0.00 3.00 -1.26 -5.15 118.95 116.14 2yub s ARG 28 Ca 0.11 0.04 -0.27 0.00 -1.00 0.00 0.00 55.73 54.62 2yub s ARG 28 Cb 0.44 0.06 -0.14 0.00 0.00 0.00 0.00 34.95 35.31 2yub s ARG 28 CO -0.12 -0.39 0.86 2.89 0.00 0.00 0.00 175.30 178.53 2yub n ARG 29 N 4.46 1.02 -0.02 5.12 0.00 -1.26 -4.64 116.66 121.34 2yub n ARG 29 Ca 0.08 0.36 0.13 0.00 -0.00 0.00 0.00 57.85 58.42 2yub n ARG 29 Cb 0.60 -1.69 0.58 0.00 -0.00 0.00 0.00 32.46 31.95 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 1.42 -0.22 3.25 2.89 0.00 -1.26 -4.88 105.19 106.40 2yub n GLY 30 Ca 0.11 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.07 0.30 1.61 -0.71 -1.26 -0.40 117.98 115.49 2yub s PHE 31 Ca 0.38 -0.14 0.03 0.00 -1.04 0.00 0.00 56.93 56.16 2yub s PHE 31 Cb 0.20 0.08 -0.06 0.00 -1.21 0.00 0.00 43.02 42.03 2yub s PHE 31 CO 0.31 -0.53 0.06 -1.54 -1.34 0.00 0.00 175.22 172.19 2yub s SER 32 N -2.28 2.01 0.05 1.98 1.04 -0.88 -5.00 113.70 110.63 2yub s SER 32 Ca -0.02 -1.36 0.04 0.00 0.48 0.00 0.00 55.95 55.08 2yub s SER 32 Cb 0.00 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 66.09 2yub s SER 32 CO -0.06 -0.62 -0.11 0.68 0.98 0.00 0.00 173.24 174.11 2yub s VAL 33 N -3.42 0.84 -0.25 5.02 -7.23 -1.26 -1.58 120.40 112.51 2yub s VAL 33 Ca 0.36 -1.14 -0.13 0.00 -1.81 0.00 0.00 61.98 59.26 2yub s VAL 33 Cb 0.08 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 36.14 2yub s VAL 33 CO 0.14 -0.26 0.29 -0.89 -0.31 0.00 0.00 175.10 174.07 2yub s THR 34 N -1.24 5.25 -0.14 5.32 2.01 -0.72 -4.78 115.64 121.35 2yub s THR 34 Ca -0.05 0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 2yub s THR 34 Cb -0.09 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2yub s THR 34 CO 0.01 0.24 0.01 -0.69 -0.69 0.00 0.00 174.62 173.50 2yub s VAL 35 N 1.61 4.33 -0.07 3.82 1.01 -1.26 -3.02 120.40 126.81 2yub s VAL 35 Ca 0.12 -0.22 0.05 0.00 0.00 0.00 0.00 61.98 61.93 2yub s VAL 35 Cb -0.15 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.34 2yub s VAL 35 CO 0.08 0.53 -0.22 -1.61 0.00 0.00 0.00 175.10 173.88 2yub s GLU 36 N -0.11 2.56 -0.09 2.72 0.41 -1.09 -5.01 118.70 118.09 2yub s GLU 36 Ca 0.04 -0.81 0.01 0.00 -0.41 0.00 0.00 54.97 53.81 2yub s GLU 36 Cb -0.13 -2.06 0.02 0.00 -1.78 0.00 0.00 34.13 30.18 2yub s GLU 36 CO 0.02 0.25 -0.12 -1.54 -0.49 0.00 0.00 175.26 173.38 2yub s SER 37 N 0.15 2.03 0.00 -0.19 1.04 -1.26 -0.17 113.70 115.30 2yub s SER 37 Ca -0.11 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2yub s SER 37 Cb -0.15 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 65.07 2yub s SER 37 CO 0.06 -0.01 0.00 0.00 0.98 0.00 0.00 173.24 174.27 2yub n ALA 38 N 4.18 0.00 0.92 5.32 0.00 -1.26 -4.92 120.51 124.75 2yub n ALA 38 Ca -0.19 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2yub n ALA 38 Cb 0.51 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.43 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 -1.51 0.00 -3.66 0.00 2.88 -1.26 -4.67 113.62 105.40 2yub n SER 39 Ca 0.00 -0.17 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2yub n SER 39 Cb 0.00 -0.19 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 2yub n SER 39 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yub s SER 40 N -2.38 -0.68 0.21 -3.46 0.01 -1.26 -5.02 113.70 101.12 2yub s SER 40 Ca 0.20 1.25 0.25 0.00 1.31 0.00 0.00 55.95 58.96 2yub s SER 40 Cb 0.12 1.23 0.89 0.00 0.21 0.00 0.00 66.02 68.48 2yub s SER 40 CO 0.24 -0.22 1.75 -0.46 0.41 0.00 0.00 173.24 174.97 2yub n ASN 41 N 3.14 0.69 -3.59 2.44 6.94 -1.26 -3.95 115.26 119.67 2yub n ASN 41 Ca -0.16 0.60 -0.33 0.00 -0.02 0.00 0.00 54.58 54.68 2yub n ASN 41 Cb 0.56 -0.78 -0.05 0.00 -2.36 0.00 0.00 39.78 37.16 2yub n ASN 41 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yub n TYR 42 N -2.19 3.19 -1.64 -2.53 0.18 -1.26 -4.17 117.16 108.74 2yub n TYR 42 Ca 0.04 -3.59 0.00 0.00 1.88 0.00 0.00 57.90 56.23 2yub n TYR 42 Cb 0.34 -0.80 0.00 0.00 -0.38 0.00 0.00 39.34 38.50 2yub n TYR 42 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2yub n ALA 43 N 0.92 -1.97 0.00 -3.48 0.00 -1.23 -3.74 120.51 111.00 2yub n ALA 43 Ca 0.29 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.22 2yub n ALA 43 Cb 0.38 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.78 0.00 -3.57 0.00 5.66 0.76 -4.66 114.28 110.69 2yub n THR 44 Ca 0.00 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.83 2yub n THR 44 Cb 0.25 -0.67 -0.07 0.00 -1.55 0.00 0.00 70.33 68.30 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 -1.70 0.01 -0.02 1.09 2.01 -1.23 -4.95 115.64 110.85 2yub s THR 45 Ca 0.00 -0.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.91 2yub s THR 45 Cb 0.00 -0.92 0.03 0.00 0.01 0.00 0.00 72.50 71.62 2yub s THR 45 CO 0.00 -0.05 0.03 -0.69 -0.69 0.00 0.00 174.62 173.22 2yub s VAL 46 N -1.19 -0.06 -0.08 3.82 1.01 -1.26 -2.67 120.40 119.97 2yub s VAL 46 Ca -0.11 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.06 2yub s VAL 46 Cb -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 36.38 36.33 2yub s VAL 46 CO 0.09 0.09 0.17 -1.10 0.00 0.00 0.00 175.10 174.34 2yub s GLN 47 N 1.10 0.07 -0.49 2.72 -0.21 -1.17 -3.03 119.66 118.65 2yub s GLN 47 Ca -0.09 0.50 -0.33 0.00 0.02 0.00 0.00 55.36 55.47 2yub s GLN 47 Cb -0.13 -0.21 -0.12 0.00 1.00 0.00 0.00 33.01 33.54 2yub s GLN 47 CO -0.03 -0.24 2.33 0.28 -2.12 0.00 0.00 175.29 175.50 2yub n VAL 48 N 4.84 0.10 0.17 1.09 0.31 -0.81 -1.75 118.33 122.28 2yub n VAL 48 Ca -0.14 -0.33 -0.07 0.00 -0.01 0.00 0.00 64.34 63.79 2yub n VAL 48 Cb 0.51 -1.68 -0.03 0.00 -0.91 0.00 0.00 33.84 31.72 2yub n VAL 48 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2yub h LYS 49 N 13.82 -0.43 -4.00 5.55 3.64 -1.60 -0.92 116.57 132.63 2yub h LYS 49 Ca -0.23 0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 59.07 2yub h LYS 49 Cb 1.31 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 33.07 2yub h LYS 49 CO 1.11 -0.29 -0.55 -1.21 -2.27 0.00 0.00 179.45 176.24 2yub s GLU 50 N -4.01 0.67 -0.01 1.90 0.41 -1.23 -4.26 118.70 112.16 2yub s GLU 50 Ca -0.07 -1.02 0.00 0.00 -0.41 0.00 0.00 54.97 53.47 2yub s GLU 50 Cb 0.01 0.25 0.01 0.00 -1.78 0.00 0.00 34.13 32.63 2yub s GLU 50 CO 0.20 -0.17 0.01 0.08 -0.49 0.00 0.00 175.26 174.90 2yub s VAL 51 N -3.56 0.02 -0.20 2.63 1.01 -1.26 -2.07 120.40 116.97 2yub s VAL 51 Ca 0.03 0.08 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2yub s VAL 51 Cb 0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 36.38 36.29 2yub s VAL 51 CO -0.09 0.06 0.18 0.20 0.00 0.00 0.00 175.10 175.44 2yub s ASN 52 N 0.53 6.24 0.18 3.32 0.01 0.46 -4.85 114.94 120.82 2yub s ASN 52 Ca -0.05 0.27 0.15 0.00 -0.71 0.00 0.00 52.86 52.52 2yub s ASN 52 Cb -0.07 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 2yub s ASN 52 CO -0.01 0.13 1.19 0.03 -1.51 0.00 0.00 177.10 176.93 2yub h ARG 53 N 6.87 0.00 0.00 -0.60 3.08 -1.94 -2.99 114.38 118.80 2yub h ARG 53 Ca -0.40 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.48 2yub h ARG 53 Cb 1.16 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.18 2yub h ARG 53 CO 0.74 0.49 -1.11 0.52 -1.07 0.00 0.00 179.97 179.53 2yub h MET 54 N 0.00 0.00 0.00 0.04 2.86 -1.93 0.76 114.93 116.66 2yub h MET 54 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2yub h MET 54 Cb 1.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.18 2yub h MET 54 CO 0.07 0.46 -0.37 0.45 1.06 0.00 0.00 176.91 178.58 2yub h HIS 55 N 0.00 0.00 0.00 -0.22 3.86 -1.92 -3.32 115.15 113.55 2yub h HIS 55 Ca -0.11 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 2yub h HIS 55 Cb 1.59 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.06 2yub h HIS 55 CO 0.00 0.00 -1.40 -0.89 0.86 0.00 0.00 177.93 176.50 2yub n ILE 56 N -2.57 0.00 -0.90 2.45 5.41 -1.13 -4.57 119.36 118.05 2yub n ILE 56 Ca 0.03 -0.21 0.04 0.00 1.00 0.00 0.00 62.75 63.62 2yub n ILE 56 Cb 0.49 0.31 -0.02 0.00 -0.71 0.00 0.00 39.64 39.70 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 -1.80 -4.87 -3.61 4.38 7.64 0.26 -4.44 113.62 111.18 2yub n SER 57 Ca -0.02 1.01 -0.44 0.00 1.01 0.00 0.00 58.87 60.44 2yub n SER 57 Cb 0.23 -2.76 -0.06 0.00 -1.01 0.00 0.00 64.21 60.61 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2yub n PRO 58 N -2.69 1.40 0.00 1.43 -0.04 -1.26 -3.62 135.00 130.22 2yub n PRO 58 Ca -0.02 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 2yub n PRO 58 Cb 0.34 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 30.91 2yub n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2yub n ASN 59 N 7.58 0.00 -0.00 3.54 2.85 -1.26 -4.93 115.26 123.04 2yub n ASN 59 Ca 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.97 2yub n ASN 59 Cb 0.41 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.42 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 -1.49 4.85 0.19 1.20 4.13 -1.24 -4.64 115.26 118.26 2yub n ASN 60 Ca 0.00 0.00 0.13 0.00 1.68 0.00 0.00 54.58 56.39 2yub n ASN 60 Cb 0.00 0.95 0.71 0.00 -1.54 0.00 0.00 39.78 39.90 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 0.00 0.00 0.00 3.52 -0.00 -1.85 0.77 114.38 116.82 2yub h ARG 61 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2yub h ARG 61 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.16 2yub h ARG 61 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 179.97 180.24 2yub n ASN 62 N -4.30 0.00 -0.06 0.08 6.94 -1.26 -2.57 115.26 114.08 2yub n ASN 62 Ca 0.01 0.32 -0.10 0.00 -0.02 0.00 0.00 54.58 54.79 2yub n ASN 62 Cb 0.27 -0.37 -0.05 0.00 -2.36 0.00 0.00 39.78 37.26 2yub n ASN 62 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2yub n ALA 63 N -1.37 1.86 -2.66 -2.53 0.00 0.24 -5.03 120.51 111.02 2yub n ALA 63 Ca 0.02 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.69 2yub n ALA 63 Cb 0.05 0.25 -0.02 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 -2.24 5.11 -0.07 0.00 2.07 -1.06 -5.01 121.20 120.01 2yub s ILE 64 Ca -0.17 -0.35 -0.31 0.00 -1.41 0.00 0.00 60.65 58.41 2yub s ILE 64 Cb 0.05 -3.81 0.08 0.00 0.13 0.00 0.00 42.46 38.91 2yub s ILE 64 CO 0.27 -0.44 0.72 -2.28 -1.91 0.00 0.00 174.94 171.30 2yub s HIS 65 N -2.18 -0.62 -0.03 3.50 2.46 -1.26 -4.73 115.29 112.43 2yub s HIS 65 Ca 0.40 1.08 -0.30 0.00 0.47 0.00 0.00 55.06 56.71 2yub s HIS 65 Cb -0.10 0.41 -0.05 0.00 -0.13 0.00 0.00 32.58 32.71 2yub s HIS 65 CO 0.33 -0.57 1.47 -1.25 -2.47 0.00 0.00 174.74 172.25 2yub s PRO 66 N -1.15 4.24 0.00 2.88 0.04 -1.26 -2.89 135.00 136.86 2yub s PRO 66 Ca -0.10 2.02 0.00 0.00 0.04 0.00 0.00 61.00 62.96 2yub s PRO 66 Cb -0.00 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2yub s PRO 66 CO 0.09 -0.67 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2yub n GLY 67 N 3.79 2.08 3.54 0.56 0.00 -0.35 -5.00 105.19 109.80 2yub n GLY 67 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.79 0.28 0.11 1.61 1.01 -1.14 -4.75 116.67 112.00 2yub s ASP 68 Ca 0.00 0.51 0.10 0.00 0.71 0.00 0.00 52.55 53.87 2yub s ASP 68 Cb 0.00 -0.65 -0.04 0.00 1.01 0.00 0.00 42.92 43.24 2yub s ASP 68 CO 0.00 -4.50 -0.26 -0.60 0.21 0.00 0.00 175.17 170.02 2yub s ARG 69 N -5.49 1.42 -0.17 8.23 3.52 -1.26 -1.93 118.95 123.26 2yub s ARG 69 Ca 0.72 -1.28 -0.06 0.00 -0.13 0.00 0.00 55.73 54.99 2yub s ARG 69 Cb -0.08 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.45 2yub s ARG 69 CO 0.56 0.44 0.02 0.42 -0.81 0.00 0.00 175.30 175.92 2yub s ILE 70 N -1.03 4.34 -0.21 4.11 1.01 -1.17 -3.54 121.20 124.72 2yub s ILE 70 Ca 0.12 -0.19 -0.15 0.00 0.00 0.00 0.00 60.65 60.43 2yub s ILE 70 Cb -0.10 -2.94 -0.19 0.00 0.01 0.00 0.00 42.46 39.25 2yub s ILE 70 CO 0.05 0.47 0.09 0.18 0.00 0.00 0.00 174.94 175.73 2yub n LEU 71 N 3.60 2.12 -3.80 2.97 4.32 -1.12 -4.73 117.00 120.36 2yub n LEU 71 Ca -0.17 0.32 -0.11 0.00 -0.02 0.00 0.00 56.01 56.03 2yub n LEU 71 Cb 0.52 -0.96 -0.08 0.00 -1.62 0.00 0.00 43.42 41.28 2yub n LEU 71 CO 0.34 0.50 -0.04 -1.61 -1.22 0.00 0.00 177.39 175.37 2yub s GLU 72 N -2.44 0.74 -0.07 3.23 2.02 -1.26 -3.68 118.70 117.23 2yub s GLU 72 Ca -0.30 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.16 2yub s GLU 72 Cb 0.08 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.64 2yub s GLU 72 CO 0.61 -0.22 -0.11 0.42 0.02 0.00 0.00 175.26 175.97 2yub s ILE 73 N -2.47 1.05 -1.97 -1.63 1.01 -0.30 -2.75 121.20 114.15 2yub s ILE 73 Ca -0.06 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.18 2yub s ILE 73 Cb -0.01 -0.99 0.00 0.00 0.01 0.00 0.00 42.46 41.47 2yub s ILE 73 CO -0.03 0.34 0.00 0.59 0.00 0.00 0.00 174.94 175.84 2yub n ASN 74 N 4.02 -5.50 -0.38 3.58 5.03 -0.77 -1.91 115.26 119.33 2yub n ASN 74 Ca -0.21 0.46 0.00 0.00 0.87 0.00 0.00 54.58 55.70 2yub n ASN 74 Cb 0.51 -4.63 0.00 0.00 -1.02 0.00 0.00 39.78 34.64 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yub n GLY 75 N -0.34 0.96 3.20 7.41 0.00 -1.26 -4.99 105.19 110.16 2yub n GLY 75 Ca -0.19 -0.53 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.76 0.05 0.14 2.61 -4.23 -0.80 -5.14 115.64 105.50 2yub s THR 76 Ca 0.00 -0.41 -0.31 0.00 -1.18 0.00 0.00 61.69 59.79 2yub s THR 76 Cb 0.00 -0.53 -0.08 0.00 1.34 0.00 0.00 72.50 73.23 2yub s THR 76 CO 0.00 -0.23 1.35 -2.16 -0.54 0.00 0.00 174.62 173.04 2yub s PRO 77 N -1.00 4.35 0.00 3.99 0.04 -1.26 -1.15 135.00 139.97 2yub s PRO 77 Ca -0.11 2.04 0.28 0.00 0.04 0.00 0.00 61.00 63.25 2yub s PRO 77 Cb -0.05 -3.24 0.98 0.00 0.04 0.00 0.00 34.50 32.23 2yub s PRO 77 CO 0.03 -0.36 1.71 1.33 0.04 0.00 0.00 177.00 179.74 2yub n VAL 78 N 3.51 0.00 1.01 -0.36 0.24 -1.24 -2.31 118.33 119.19 2yub n VAL 78 Ca 0.09 -0.10 0.12 0.00 -2.04 0.00 0.00 64.34 62.41 2yub n VAL 78 Cb 0.43 0.18 0.18 0.00 -1.47 0.00 0.00 33.84 33.16 2yub n VAL 78 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2yub n ARG 79 N -0.76 0.05 0.00 7.34 1.74 -1.26 -4.20 116.66 119.58 2yub n ARG 79 Ca 0.13 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 2yub n ARG 79 Cb 0.32 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2yub n THR 80 N -1.44 0.00 -2.21 0.55 -2.24 -1.23 -4.74 114.28 102.97 2yub n THR 80 Ca 0.06 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.43 2yub n THR 80 Cb 0.34 0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.94 4.45 0.45 3.22 1.43 -0.98 -4.79 118.68 119.53 2yub s LEU 81 Ca 0.00 2.53 -0.25 0.00 -1.03 0.00 0.00 54.13 55.37 2yub s LEU 81 Cb 0.00 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 2yub s LEU 81 CO 0.00 -0.46 1.41 -0.13 0.23 0.00 0.00 176.35 177.40 2yub s ARG 82 N -1.20 3.70 0.25 1.70 1.81 -1.26 -3.52 118.95 120.43 2yub s ARG 82 Ca 0.51 2.38 -0.10 0.00 -1.72 0.00 0.00 55.73 56.79 2yub s ARG 82 Cb -0.37 -2.65 0.36 0.00 -0.45 0.00 0.00 34.95 31.84 2yub s ARG 82 CO 0.46 -0.79 1.46 0.28 -0.68 0.00 0.00 175.30 176.03 2yub n VAL 83 N -0.19 -0.43 -0.31 3.52 0.31 -1.26 0.18 118.33 120.16 2yub n VAL 83 Ca 0.05 2.16 0.05 0.00 -0.01 0.00 0.00 64.34 66.59 2yub n VAL 83 Cb 0.42 -2.94 0.25 0.00 -0.91 0.00 0.00 33.84 30.66 2yub n VAL 83 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2yub h GLU 84 N 0.00 0.97 -0.49 5.55 4.11 -1.94 -0.67 114.58 122.12 2yub h GLU 84 Ca 0.41 -0.06 -0.12 0.00 0.07 0.00 0.00 59.36 59.66 2yub h GLU 84 Cb 0.64 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 2yub h GLU 84 CO -0.95 0.64 -0.14 0.93 0.07 0.00 0.00 179.01 179.56 2yub h GLU 85 N 1.00 0.97 0.00 1.06 4.39 0.15 0.14 114.58 122.29 2yub h GLU 85 Ca 0.40 -0.38 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 2yub h GLU 85 Cb 0.26 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2yub h GLU 85 CO -0.16 1.05 -0.29 0.28 -1.16 0.00 0.00 179.01 178.74 2yub h VAL 86 N 0.83 0.90 0.00 3.13 2.07 -0.08 -2.90 116.25 120.20 2yub h VAL 86 Ca 0.12 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.51 2yub h VAL 86 Cb 0.71 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2yub h VAL 86 CO 0.05 0.28 -0.34 -0.33 0.02 0.00 0.00 177.57 177.25 2yub h GLU 87 N 0.00 0.00 -0.89 1.57 4.39 -0.89 -3.38 114.58 115.37 2yub h GLU 87 Ca -0.00 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.87 2yub h GLU 87 Cb 0.63 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 29.11 2yub h GLU 87 CO 0.04 0.25 -0.23 -0.44 -1.16 0.00 0.00 179.01 177.46 2yub h ASP 88 N -1.00 -0.86 -0.92 1.42 5.19 -0.78 0.30 116.42 119.77 2yub h ASP 88 Ca -0.04 0.27 0.28 0.00 -0.62 0.00 0.00 57.03 56.92 2yub h ASP 88 Cb 0.47 0.56 -0.17 0.00 0.18 0.00 0.00 39.33 40.38 2yub h ASP 88 CO -0.03 -0.30 0.13 0.00 -3.12 0.00 0.00 179.24 175.93 2yub n ALA 89 N -3.47 0.58 -0.01 3.45 0.00 -1.10 0.15 120.51 120.12 2yub n ALA 89 Ca 0.13 0.97 -0.15 0.00 0.00 0.00 0.00 53.44 54.39 2yub n ALA 89 Cb 0.45 -0.77 -0.04 0.00 0.00 0.00 0.00 19.45 19.09 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 1.30 0.00 0.00 1.08 -0.60 -3.08 117.51 116.21 2yub h ILE 90 Ca 0.61 -1.99 -0.04 0.00 -0.39 0.00 0.00 64.86 63.05 2yub h ILE 90 Cb 1.36 1.97 -0.01 0.00 -3.07 0.00 0.00 36.82 37.07 2yub h ILE 90 CO -0.82 0.62 -0.21 0.11 -0.69 0.00 0.00 178.15 177.16 2yub h LYS 91 N 0.49 0.00 -5.13 2.37 1.57 0.18 -3.41 116.57 112.63 2yub h LYS 91 Ca -0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 2yub h LYS 91 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 2yub h LYS 91 CO 0.15 0.21 0.41 1.04 -0.57 0.00 0.00 179.45 180.69 2yub n GLN 92 N -3.67 0.20 -2.97 3.15 1.13 0.17 -4.77 117.38 110.61 2yub n GLN 92 Ca -0.01 -0.97 -0.43 0.00 -1.94 0.00 0.00 57.00 53.65 2yub n GLN 92 Cb 0.33 -3.03 0.01 0.00 0.11 0.00 0.00 30.24 27.67 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 7.81 5.41 0.00 5.09 -2.24 -1.26 -4.26 114.28 124.84 2yub n THR 93 Ca 0.39 -5.95 0.00 0.00 -2.27 0.00 0.00 64.05 56.22 2yub n THR 93 Cb 0.42 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 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 1.18 0.00 -5.01 3.42 2.88 -1.26 -4.72 113.62 110.11 2yub n SER 94 Ca 0.28 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.62 2yub n SER 94 Cb 0.32 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.83 2yub n SER 94 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2yub s GLN 95 N -0.95 2.40 0.02 -1.46 -0.21 -1.26 -3.95 119.66 114.25 2yub s GLN 95 Ca 0.00 -1.61 -0.30 0.00 0.02 0.00 0.00 55.36 53.47 2yub s GLN 95 Cb 0.00 -2.60 -0.05 0.00 1.00 0.00 0.00 33.01 31.36 2yub s GLN 95 CO 0.00 -0.71 1.28 0.99 -2.12 0.00 0.00 175.29 174.73 2yub s THR 96 N -2.62 3.91 -0.40 -0.19 2.01 -1.26 0.16 115.64 117.25 2yub s THR 96 Ca 0.57 1.32 -0.12 0.00 0.31 0.00 0.00 61.69 63.78 2yub s THR 96 Cb -0.06 -3.85 0.04 0.00 0.01 0.00 0.00 72.50 68.64 2yub s THR 96 CO 0.36 0.05 0.25 -0.22 -0.69 0.00 0.00 174.62 174.36 2yub s LEU 97 N 1.73 4.96 -0.19 4.42 2.96 0.14 -4.84 118.68 127.85 2yub s LEU 97 Ca 0.60 -1.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.22 2yub s LEU 97 Cb -0.30 -2.05 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2yub s LEU 97 CO 0.27 -0.45 0.50 -1.58 -1.32 0.00 0.00 176.35 173.76 2yub s GLN 98 N 1.56 4.21 -0.05 1.98 0.74 -1.26 -3.55 119.66 123.29 2yub s GLN 98 Ca 0.03 0.39 0.06 0.00 0.05 0.00 0.00 55.36 55.88 2yub s GLN 98 Cb -0.20 -3.54 -0.01 0.00 1.10 0.00 0.00 33.01 30.36 2yub s GLN 98 CO 0.06 -0.09 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.98 2yub s LEU 99 N 1.46 2.01 -0.11 3.68 1.43 -0.71 -1.85 118.68 124.59 2yub s LEU 99 Ca 0.24 -0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 52.87 2yub s LEU 99 Cb -0.15 -1.21 -0.03 0.00 0.03 0.00 0.00 46.19 44.83 2yub s LEU 99 CO 0.09 0.21 -0.05 -0.22 0.23 0.00 0.00 176.35 176.62 2yub s LEU 100 N -0.12 3.25 0.01 1.79 2.96 -1.11 -2.34 118.68 123.12 2yub s LEU 100 Ca -0.03 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.91 2yub s LEU 100 Cb -0.12 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2yub s LEU 100 CO 0.03 0.27 -0.25 -0.63 -1.32 0.00 0.00 176.35 174.46 2yub s ILE 101 N -0.27 1.96 -0.15 6.68 -1.09 -0.59 -2.79 121.20 124.95 2yub s ILE 101 Ca 0.04 -1.19 -0.11 0.00 -2.23 0.00 0.00 60.65 57.17 2yub s ILE 101 Cb -0.13 -1.66 -0.05 0.00 -1.58 0.00 0.00 42.46 39.05 2yub s ILE 101 CO 0.02 0.43 0.20 -0.70 -1.23 0.00 0.00 174.94 173.66 2yub s GLU 102 N -0.90 3.99 -0.02 2.79 2.12 -1.23 -2.16 118.70 123.28 2yub s GLU 102 Ca 0.10 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.44 2yub s GLU 102 Cb -0.09 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.93 2yub s GLU 102 CO 0.01 0.44 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.33 2yub s HIS 103 N -0.09 2.28 0.09 5.30 2.46 -0.87 -4.80 115.29 119.66 2yub s HIS 103 Ca 0.13 -0.46 0.04 0.00 0.47 0.00 0.00 55.06 55.25 2yub s HIS 103 Cb -0.12 -1.47 -0.03 0.00 -0.13 0.00 0.00 32.58 30.82 2yub s HIS 103 CO 0.02 -0.06 -0.11 0.16 -2.47 0.00 0.00 174.74 172.29 2yub s ASP 104 N -0.55 1.50 0.23 9.88 1.47 -1.26 -3.50 116.67 124.43 2yub s ASP 104 Ca 0.08 -0.76 0.22 0.00 1.18 0.00 0.00 52.55 53.28 2yub s ASP 104 Cb -0.10 -0.01 0.94 0.00 -0.34 0.00 0.00 42.92 43.41 2yub s ASP 104 CO -0.00 -0.22 1.68 -0.81 0.68 0.00 0.00 175.17 176.50 2yub n PRO 105 N 0.74 0.17 -2.59 2.11 -0.04 -1.26 -4.95 135.00 129.19 2yub n PRO 105 Ca -0.17 0.41 -0.18 0.00 -0.04 0.00 0.00 63.50 63.51 2yub n PRO 105 Cb 0.57 -1.83 0.02 0.00 -0.04 0.00 0.00 33.50 32.22 2yub n PRO 105 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2yub n VAL 106 N -2.15 -2.18 -1.95 0.52 3.14 -1.26 -4.86 118.33 109.58 2yub n VAL 106 Ca 0.02 0.15 -0.34 0.00 -2.96 0.00 0.00 64.34 61.21 2yub n VAL 106 Cb 0.22 -2.27 0.03 0.00 -1.06 0.00 0.00 33.84 30.76 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 3.02 0.25 1.45 0.04 -1.26 -4.94 135.00 132.22 2yub s PRO 107 Ca 0.17 1.47 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 2yub s PRO 107 Cb -0.02 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.41 2yub s PRO 107 CO 0.39 -1.09 1.19 1.04 0.04 0.00 0.00 177.00 178.57 2yub n GLN 108 N -1.98 1.57 -4.14 4.56 6.02 -1.26 -4.99 117.38 117.16 2yub n GLN 108 Ca 0.11 0.56 -0.14 0.00 -0.01 0.00 0.00 57.00 57.52 2yub n GLN 108 Cb 0.52 -2.06 -0.07 0.00 1.02 0.00 0.00 30.24 29.65 2yub n GLN 108 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2yub s ARG 109 N -0.98 1.62 0.03 -1.09 3.52 -1.26 -5.10 118.95 115.69 2yub s ARG 109 Ca 0.65 -1.67 0.00 0.00 -0.13 0.00 0.00 55.73 54.57 2yub s ARG 109 Cb -0.71 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.06 2yub s ARG 109 CO 0.55 -0.63 0.00 -0.11 -0.81 0.00 0.00 175.30 174.31 2yub n LEU 110 N -0.46 -3.24 -0.05 -0.88 -0.00 -1.26 -5.02 117.00 106.09 2yub n LEU 110 Ca 0.02 0.87 -0.03 0.00 -0.00 0.00 0.00 56.01 56.87 2yub n LEU 110 Cb 0.63 -1.62 -0.01 0.00 -0.00 0.00 0.00 43.42 42.42 2yub n LEU 110 CO 0.30 -0.66 -0.19 -0.78 -0.00 0.00 0.00 177.39 176.05 2yub h ASP 111 N 1.21 0.00 -3.47 1.96 1.82 -2.06 -3.45 116.42 112.43 2yub h ASP 111 Ca 0.00 0.00 -0.62 0.00 -0.39 0.00 0.00 57.03 56.02 2yub h ASP 111 Cb 0.00 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 39.61 2yub h ASP 111 CO 0.00 0.55 -0.75 -1.58 -1.61 0.00 0.00 179.24 175.85 2yub s GLN 112 N -1.83 1.20 -0.58 0.28 0.74 -1.26 -5.08 119.66 113.13 2yub s GLN 112 Ca -0.08 -1.40 -0.22 0.00 0.05 0.00 0.00 55.36 53.71 2yub s GLN 112 Cb 0.01 -2.62 0.06 0.00 1.10 0.00 0.00 33.01 31.56 2yub s GLN 112 CO 0.12 -0.90 0.87 -1.54 -0.55 0.00 0.00 175.29 173.29 2yub s SER 113 N 1.27 6.25 0.00 6.67 1.04 -1.26 -4.93 113.70 122.74 2yub s SER 113 Ca 0.07 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2yub s SER 113 Cb -0.18 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.55 2yub s SER 113 CO -0.14 -1.22 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2yub n GLY 114 N 5.20 -1.58 3.64 7.32 0.00 -1.26 -5.16 105.19 113.35 2yub n GLY 114 Ca -0.02 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.38 -0.28 -0.24 1.61 0.04 -1.26 -4.98 135.00 128.52 2yub s PRO 115 Ca 0.00 0.27 0.13 0.00 0.04 0.00 0.00 61.00 61.44 2yub s PRO 115 Cb 0.00 -1.68 0.58 0.00 0.04 0.00 0.00 34.50 33.44 2yub s PRO 115 CO 0.00 -3.15 1.52 0.45 0.04 0.00 0.00 177.00 175.86 2yub n SER 116 N -4.43 3.75 0.00 6.66 2.88 -1.26 -4.99 113.62 116.23 2yub n SER 116 Ca 0.08 -3.26 0.00 0.00 -1.33 0.00 0.00 58.87 54.36 2yub n SER 116 Cb 0.58 -0.62 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2yub n SER 116 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yub n SER 117 N -0.59 0.00 0.00 -3.46 3.41 -1.26 -5.34 113.62 106.37 2yub n SER 117 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 2yub n SER 117 Cb 1.05 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.00 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49