#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 1.52 -4.15 1.61 3.41 -1.26 -5.12 113.62 109.63 2yub n SER 2 Ca 0.00 -3.05 -0.37 0.00 -0.26 0.00 0.00 58.87 55.19 2yub n SER 2 Cb 0.00 -0.63 0.03 0.00 -0.26 0.00 0.00 64.21 63.35 2yub n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yub n SER 3 N 0.73 -4.60 -3.05 4.04 7.64 -1.26 -4.92 113.62 112.20 2yub n SER 3 Ca 0.25 0.43 -0.06 0.00 1.01 0.00 0.00 58.87 60.49 2yub n SER 3 Cb 0.54 -0.84 0.06 0.00 -1.01 0.00 0.00 64.21 62.96 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 2.90 -3.63 1.54 0.23 0.00 -1.26 -5.01 105.19 99.97 2yub n GLY 4 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.86 2yub n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yub n SER 5 N -3.43 0.00 0.00 1.61 3.41 -1.26 -4.90 113.62 109.05 2yub n SER 5 Ca 0.03 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.69 2yub n SER 5 Cb 0.12 0.39 0.27 0.00 -0.26 0.00 0.00 64.21 64.73 2yub n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2yub n SER 6 N -2.28 0.00 -3.84 4.04 7.64 -1.26 -4.41 113.62 113.51 2yub n SER 6 Ca 0.00 0.30 -0.28 0.00 1.01 0.00 0.00 58.87 59.91 2yub n SER 6 Cb 0.00 -0.39 -0.16 0.00 -1.01 0.00 0.00 64.21 62.65 2yub n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yub s GLY 7 N -2.78 0.89 0.11 0.23 0.00 -1.26 -5.02 107.32 99.49 2yub s GLY 7 Ca 0.08 -0.82 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 2yub s GLY 7 CO 0.19 1.12 1.71 -2.08 0.00 0.00 0.00 173.10 174.04 2yub h VAL 8 N 6.47 0.81 -0.06 1.40 2.07 -1.99 -3.43 116.25 121.53 2yub h VAL 8 Ca -0.20 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 2yub h VAL 8 Cb 1.11 0.81 -0.14 0.00 -1.52 0.00 0.00 31.29 31.54 2yub h VAL 8 CO 0.37 0.00 -0.05 1.67 0.02 0.00 0.00 177.57 179.58 2yub n GLN 9 N -5.19 0.06 -1.09 1.57 -0.06 -1.26 -5.03 117.38 106.37 2yub n GLN 9 Ca -0.05 -0.63 -0.03 0.00 -2.00 0.00 0.00 57.00 54.29 2yub n GLN 9 Cb 0.12 0.15 -0.04 0.00 -4.06 0.00 0.00 30.24 26.42 2yub n GLN 9 CO 0.00 0.00 0.00 -0.40 -0.20 0.00 0.00 177.06 176.46 2yub n ASP 10 N 2.16 -0.29 -3.30 1.69 5.68 -1.26 -5.08 116.55 116.14 2yub n ASP 10 Ca 0.07 -1.93 0.03 0.00 -0.50 0.00 0.00 54.79 52.46 2yub n ASP 10 Cb 0.68 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.71 2yub n ASP 10 CO 0.00 0.00 0.00 -1.58 -1.33 0.00 0.00 177.20 174.29 2yub s GLN 11 N 0.00 0.24 0.33 0.11 0.74 -1.26 -5.15 119.66 114.66 2yub s GLN 11 Ca 0.10 0.55 -0.11 0.00 0.05 0.00 0.00 55.36 55.95 2yub s GLN 11 Cb 0.12 0.33 -0.07 0.00 1.10 0.00 0.00 33.01 34.48 2yub s GLN 11 CO -0.05 -0.13 0.68 -0.51 -0.55 0.00 0.00 175.29 174.73 2yub s LEU 12 N 2.53 4.00 1.11 3.68 1.02 -1.26 -5.08 118.68 124.67 2yub s LEU 12 Ca -0.01 1.07 -0.16 0.00 0.02 0.00 0.00 54.13 55.06 2yub s LEU 12 Cb -0.07 -3.90 0.24 0.00 0.02 0.00 0.00 46.19 42.49 2yub s LEU 12 CO -0.16 -0.24 1.10 -2.16 0.02 0.00 0.00 176.35 174.91 2yub s PRO 13 N -3.33 -0.46 0.68 1.29 0.04 -1.26 -5.05 135.00 126.91 2yub s PRO 13 Ca 0.50 0.20 -0.11 0.00 0.04 0.00 0.00 61.00 61.63 2yub s PRO 13 Cb -0.10 -1.66 0.17 0.00 0.04 0.00 0.00 34.50 32.94 2yub s PRO 13 CO 0.25 -3.26 0.58 2.48 0.04 0.00 0.00 177.00 177.09 2yub n TYR 14 N -4.49 -3.43 -4.36 0.56 0.18 -1.26 -5.07 117.16 99.28 2yub n TYR 14 Ca 0.09 -0.53 -0.26 0.00 1.88 0.00 0.00 57.90 59.08 2yub n TYR 14 Cb 0.58 -0.62 -0.10 0.00 -0.38 0.00 0.00 39.34 38.82 2yub n TYR 14 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2yub s SER 15 N -3.06 3.96 0.35 9.48 0.15 -1.26 -4.99 113.70 118.33 2yub s SER 15 Ca 0.38 -0.75 0.09 0.00 0.70 0.00 0.00 55.95 56.37 2yub s SER 15 Cb -0.04 -0.54 -0.05 0.00 -1.71 0.00 0.00 66.02 63.68 2yub s SER 15 CO 0.30 0.08 0.04 0.68 1.20 0.00 0.00 173.24 175.53 2yub s VAL 16 N -1.94 2.60 -0.04 4.45 -7.23 -1.26 -1.81 120.40 115.17 2yub s VAL 16 Ca 0.26 -1.93 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2yub s VAL 16 Cb -0.07 -2.84 0.01 0.00 0.56 0.00 0.00 36.38 34.04 2yub s VAL 16 CO 0.14 -0.17 0.13 -0.89 -0.31 0.00 0.00 175.10 174.00 2yub s THR 17 N -2.53 0.01 0.18 5.32 2.01 -1.17 -4.99 115.64 114.47 2yub s THR 17 Ca 0.36 -0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.35 2yub s THR 17 Cb 0.01 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.25 2yub s THR 17 CO 0.20 -0.06 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.64 2yub s LEU 18 N -0.13 2.43 -0.11 4.42 2.96 -1.26 -1.26 118.68 125.72 2yub s LEU 18 Ca -0.02 -0.86 -0.04 0.00 -0.22 0.00 0.00 54.13 52.99 2yub s LEU 18 Cb -0.02 -0.98 0.05 0.00 0.50 0.00 0.00 46.19 45.74 2yub s LEU 18 CO 0.00 0.04 0.13 0.27 -1.32 0.00 0.00 176.35 175.47 2yub s ILE 19 N -1.86 -0.20 -0.48 6.68 -0.00 -1.12 -4.99 121.20 119.24 2yub s ILE 19 Ca 0.18 0.17 -0.08 0.00 -0.00 0.00 0.00 60.65 60.91 2yub s ILE 19 Cb -0.07 -0.39 0.12 0.00 -0.00 0.00 0.00 42.46 42.12 2yub s ILE 19 CO 0.08 -0.01 0.35 -0.94 -0.00 0.00 0.00 174.94 174.42 2yub s SER 20 N 2.23 5.67 0.03 4.36 1.04 -1.26 -2.82 113.70 122.95 2yub s SER 20 Ca 0.04 -1.99 0.08 0.00 0.48 0.00 0.00 55.95 54.55 2yub s SER 20 Cb -0.14 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 63.97 2yub s SER 20 CO -0.07 -0.66 -0.23 -0.04 0.98 0.00 0.00 173.24 173.22 2yub s MET 21 N 1.24 1.59 1.01 4.02 1.00 -1.22 -5.00 119.30 121.94 2yub s MET 21 Ca 0.07 -0.97 -0.12 0.00 0.00 0.00 0.00 55.69 54.66 2yub s MET 21 Cb -0.25 -1.70 0.19 0.00 0.00 0.00 0.00 34.83 33.07 2yub s MET 21 CO -0.01 0.44 1.09 -1.25 0.00 0.00 0.00 175.02 175.29 2yub s PRO 22 N -1.08 0.36 0.00 2.03 0.04 -1.26 0.46 135.00 135.55 2yub s PRO 22 Ca 0.09 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2yub s PRO 22 Cb -0.09 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2yub s PRO 22 CO 0.01 -2.77 0.00 0.00 0.04 0.00 0.00 177.00 174.28 2yub n ALA 23 N -4.20 0.00 -2.18 8.56 0.00 -1.05 -4.52 120.51 117.11 2yub n ALA 23 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.38 2yub n ALA 23 Cb 0.57 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 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 -0.21 0.39 -0.16 0.00 -4.23 -1.24 -4.92 115.64 105.27 2yub s THR 24 Ca 0.00 -1.93 -0.24 0.00 -1.18 0.00 0.00 61.69 58.34 2yub s THR 24 Cb 0.00 -2.01 -0.24 0.00 1.34 0.00 0.00 72.50 71.60 2yub s THR 24 CO 0.00 -0.54 0.53 0.74 -0.54 0.00 0.00 174.62 174.80 2yub h THR 25 N 2.82 1.33 -3.22 3.99 2.02 -1.94 -3.40 112.91 114.51 2yub h THR 25 Ca -0.36 -2.30 -0.57 0.00 0.77 0.00 0.00 66.41 63.96 2yub h THR 25 Cb 1.19 2.83 0.18 0.00 -1.74 0.00 0.00 68.15 70.61 2yub h THR 25 CO 0.62 0.51 -0.29 -0.62 0.37 0.00 0.00 175.52 176.11 2yub n GLU 26 N -4.42 0.46 -1.54 6.66 1.02 -1.26 -4.82 120.64 116.75 2yub n GLU 26 Ca -0.21 0.19 -0.37 0.00 -0.02 0.00 0.00 57.16 56.75 2yub n GLU 26 Cb 0.64 -1.86 -0.03 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.82 1.15 0.12 0.00 3.52 -1.26 -5.19 118.95 118.11 2yub s ARG 28 Ca 0.64 -0.54 0.01 0.00 -0.13 0.00 0.00 55.73 55.71 2yub s ARG 28 Cb 0.20 0.52 0.01 0.00 -1.56 0.00 0.00 34.95 34.11 2yub s ARG 28 CO -0.07 -0.47 0.07 2.89 -0.81 0.00 0.00 175.30 176.90 2yub n ARG 29 N -0.19 1.42 0.00 5.12 0.00 -1.26 -4.91 116.66 116.84 2yub n ARG 29 Ca -0.17 -0.75 0.03 0.00 -0.00 0.00 0.00 57.85 56.96 2yub n ARG 29 Cb 0.64 0.11 0.01 0.00 -0.00 0.00 0.00 32.46 33.22 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 3.61 -0.42 3.83 2.89 0.00 -1.26 -4.94 105.19 108.89 2yub n GLY 30 Ca -0.01 -0.17 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.84 0.06 0.18 1.61 -0.71 -1.26 -0.70 117.98 116.32 2yub s PHE 31 Ca 0.06 -0.63 0.01 0.00 -1.04 0.00 0.00 56.93 55.33 2yub s PHE 31 Cb 0.05 0.78 -0.05 0.00 -1.21 0.00 0.00 43.02 42.60 2yub s PHE 31 CO 0.13 -1.34 0.03 -1.12 -1.34 0.00 0.00 175.22 171.57 2yub s SER 32 N -3.12 1.10 -0.06 1.98 0.01 -1.22 -5.01 113.70 107.37 2yub s SER 32 Ca 0.16 -1.22 -0.07 0.00 1.31 0.00 0.00 55.95 56.13 2yub s SER 32 Cb -0.04 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.35 2yub s SER 32 CO 0.09 -0.62 0.19 0.68 0.41 0.00 0.00 173.24 173.99 2yub s VAL 33 N -3.72 0.01 0.15 3.43 -7.23 -1.26 -3.15 120.40 108.63 2yub s VAL 33 Ca 0.27 -0.12 -0.16 0.00 -1.81 0.00 0.00 61.98 60.15 2yub s VAL 33 Cb 0.06 -0.31 -0.07 0.00 0.56 0.00 0.00 36.38 36.62 2yub s VAL 33 CO 0.06 -0.07 0.59 -0.89 -0.31 0.00 0.00 175.10 174.48 2yub s THR 34 N -0.17 4.77 -0.25 5.32 2.01 -0.19 -4.86 115.64 122.27 2yub s THR 34 Ca -0.03 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.00 2yub s THR 34 Cb -0.02 -3.79 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2yub s THR 34 CO 0.01 0.29 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.42 2yub s VAL 35 N -1.42 2.27 -0.30 3.82 1.01 -1.26 -3.33 120.40 121.19 2yub s VAL 35 Ca 0.37 -1.46 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 2yub s VAL 35 Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2yub s VAL 35 CO 0.20 0.08 0.08 -1.61 0.00 0.00 0.00 175.10 173.84 2yub s GLU 36 N 1.16 3.03 -0.01 2.72 0.41 -1.15 -5.07 118.70 119.78 2yub s GLU 36 Ca -0.06 -0.90 -0.02 0.00 -0.41 0.00 0.00 54.97 53.59 2yub s GLU 36 Cb -0.19 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 28.76 2yub s GLU 36 CO -0.06 -0.47 0.14 -1.54 -0.49 0.00 0.00 175.26 172.84 2yub s SER 37 N 1.48 6.06 0.00 -0.19 1.04 -1.26 -3.33 113.70 117.50 2yub s SER 37 Ca 0.02 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2yub s SER 37 Cb -0.17 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.11 2yub s SER 37 CO 0.02 0.27 0.00 0.00 0.98 0.00 0.00 173.24 174.51 2yub n ALA 38 N 1.06 0.00 0.00 5.32 0.00 -1.26 -4.90 120.51 120.73 2yub n ALA 38 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2yub n ALA 38 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2yub n ALA 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2yub n SER 39 N 0.00 4.80 -5.03 0.00 7.64 -1.26 -5.07 113.62 114.70 2yub n SER 39 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 2yub n SER 39 Cb 0.00 0.74 0.06 0.00 -1.01 0.00 0.00 64.21 63.99 2yub n SER 39 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yub s SER 40 N -2.39 5.10 -0.11 6.43 0.01 -1.26 -4.98 113.70 116.50 2yub s SER 40 Ca 0.00 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.42 2yub s SER 40 Cb 0.00 0.27 0.15 0.00 0.21 0.00 0.00 66.02 66.65 2yub s SER 40 CO 0.00 -1.31 1.32 -3.20 0.41 0.00 0.00 173.24 170.46 2yub n ASN 41 N -2.21 3.55 -4.48 2.44 5.15 -1.26 -4.84 115.26 113.60 2yub n ASN 41 Ca 0.15 -2.42 -0.33 0.00 -0.60 0.00 0.00 54.58 51.38 2yub n ASN 41 Cb 0.62 -0.65 -0.13 0.00 -0.53 0.00 0.00 39.78 39.09 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 2yub s TYR 42 N -0.79 2.71 0.79 1.20 1.13 -1.26 -3.50 117.35 117.63 2yub s TYR 42 Ca 0.14 -0.15 -0.11 0.00 -1.41 0.00 0.00 57.07 55.53 2yub s TYR 42 Cb 0.11 -1.62 0.07 0.00 -1.10 0.00 0.00 41.96 39.42 2yub s TYR 42 CO 0.02 0.20 1.09 0.00 -2.51 0.00 0.00 175.55 174.35 2yub s ALA 43 N -0.75 2.23 0.00 9.51 0.00 -1.15 -4.21 121.76 127.39 2yub s ALA 43 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2yub s ALA 43 Cb -0.11 -3.14 0.00 0.00 0.00 0.00 0.00 23.12 19.87 2yub s ALA 43 CO 0.01 -1.73 0.00 -2.37 0.00 0.00 0.00 175.76 171.67 2yub n THR 44 N -3.45 0.00 -4.81 0.00 5.66 -1.24 -4.47 114.28 105.97 2yub n THR 44 Ca 0.07 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.77 2yub n THR 44 Cb 0.55 -0.04 -0.14 0.00 -1.55 0.00 0.00 70.33 69.16 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 -1.43 2.29 -0.03 1.09 2.01 -1.21 -4.48 115.64 113.88 2yub s THR 45 Ca 0.00 -1.38 -0.02 0.00 0.31 0.00 0.00 61.69 60.60 2yub s THR 45 Cb 0.00 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.61 2yub s THR 45 CO 0.00 0.34 0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 2yub s VAL 46 N -0.85 -0.02 -0.02 3.82 1.01 -1.26 -2.94 120.40 120.13 2yub s VAL 46 Ca 0.13 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2yub s VAL 46 Cb -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.19 2yub s VAL 46 CO 0.03 0.04 0.01 0.00 0.00 0.00 0.00 175.10 175.18 2yub s GLN 47 N 0.50 0.11 -0.54 2.72 -2.07 -1.21 -3.57 119.66 115.60 2yub s GLN 47 Ca -0.04 0.12 -0.27 0.00 -1.82 0.00 0.00 55.36 53.35 2yub s GLN 47 Cb -0.06 -0.32 -0.02 0.00 -1.09 0.00 0.00 33.01 31.52 2yub s GLN 47 CO -0.02 -0.13 1.84 0.08 -1.32 0.00 0.00 175.29 175.73 2yub s VAL 48 N 0.93 3.40 0.00 3.63 1.01 -0.88 -1.02 120.40 127.47 2yub s VAL 48 Ca -0.08 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.19 2yub s VAL 48 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.39 2yub s VAL 48 CO -0.02 -0.78 0.99 1.17 0.00 0.00 0.00 175.10 176.46 2yub n LYS 49 N 8.97 0.00 -4.19 2.72 4.81 -1.19 -2.61 118.16 126.67 2yub n LYS 49 Ca 0.21 0.58 -0.22 0.00 -0.87 0.00 0.00 58.31 58.01 2yub n LYS 49 Cb 0.51 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.99 2yub n LYS 49 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2yub n GLU 50 N -2.16 0.52 -3.66 1.64 1.02 -1.26 -4.45 120.64 112.30 2yub n GLU 50 Ca 0.00 -3.19 -0.06 0.00 -0.02 0.00 0.00 57.16 53.88 2yub n GLU 50 Cb 0.00 2.04 -0.08 0.00 -0.02 0.00 0.00 31.44 33.38 2yub n GLU 50 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2yub s VAL 51 N -3.09 -0.70 -0.23 2.62 1.01 -1.26 -3.46 120.40 115.30 2yub s VAL 51 Ca 0.26 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.21 2yub s VAL 51 Cb 0.01 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 2yub s VAL 51 CO 0.18 0.05 0.34 0.20 0.00 0.00 0.00 175.10 175.87 2yub s ASN 52 N 2.60 6.32 0.38 3.32 0.01 0.12 -4.92 114.94 122.77 2yub s ASN 52 Ca -0.03 0.36 0.22 0.00 -0.71 0.00 0.00 52.86 52.70 2yub s ASN 52 Cb -0.12 -2.20 0.25 0.00 0.41 0.00 0.00 41.25 39.60 2yub s ASN 52 CO -0.15 -0.07 1.49 0.03 -1.51 0.00 0.00 177.10 176.89 2yub h ARG 53 N 7.61 0.00 0.00 -0.60 3.08 -1.84 -2.86 114.38 119.77 2yub h ARG 53 Ca -0.35 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.70 2yub h ARG 53 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2yub h ARG 53 CO 0.68 0.04 0.00 -1.33 -1.07 0.00 0.00 179.97 178.30 2yub n MET 54 N -3.04 0.14 -0.00 0.04 2.81 -1.26 -2.92 117.12 112.89 2yub n MET 54 Ca 0.03 0.19 -0.00 0.00 -1.81 0.00 0.00 57.70 56.10 2yub n MET 54 Cb 0.55 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 2yub n MET 54 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2yub n HIS 55 N -1.36 0.00 -3.72 2.03 8.25 -1.20 -5.02 115.22 114.20 2yub n HIS 55 Ca 0.06 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.16 2yub n HIS 55 Cb 0.13 -0.04 -0.07 0.00 1.12 0.00 0.00 29.99 31.13 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 -2.02 5.40 0.82 1.59 1.01 -1.09 -4.89 121.20 122.02 2yub s ILE 56 Ca -0.00 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 2yub s ILE 56 Cb 0.00 -3.49 0.08 0.00 0.01 0.00 0.00 42.46 39.06 2yub s ILE 56 CO 0.03 0.48 1.10 -1.20 0.00 0.00 0.00 174.94 175.36 2yub n SER 57 N 3.07 0.64 0.00 3.58 7.64 -1.26 -4.70 113.62 122.59 2yub n SER 57 Ca -0.16 0.56 0.07 0.00 1.01 0.00 0.00 58.87 60.35 2yub n SER 57 Cb 0.53 -1.47 0.36 0.00 -1.01 0.00 0.00 64.21 62.62 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 -3.07 0.18 -0.05 1.43 -0.04 -1.26 -1.44 135.00 130.75 2yub n PRO 58 Ca 0.13 0.16 -0.14 0.00 -0.04 0.00 0.00 63.50 63.61 2yub n PRO 58 Cb 0.51 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.31 1.15 -0.06 3.54 5.15 -1.26 -4.21 115.26 118.26 2yub n ASN 59 Ca 0.07 0.16 -0.20 0.00 -0.60 0.00 0.00 54.58 54.01 2yub n ASN 59 Cb 0.12 -0.05 -0.13 0.00 -0.53 0.00 0.00 39.78 39.20 2yub n ASN 59 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2yub h ASN 60 N 0.02 0.13 -1.31 1.20 -0.26 -1.85 -3.34 115.58 110.17 2yub h ASN 60 Ca -0.44 -0.75 0.38 0.00 -0.56 0.00 0.00 56.30 54.93 2yub h ASN 60 Cb 2.06 -0.04 -0.07 0.00 -1.06 0.00 0.00 38.32 39.21 2yub h ASN 60 CO 0.04 1.42 0.93 -0.09 -1.06 0.00 0.00 177.43 178.66 2yub h ARG 61 N -0.75 0.06 -0.08 0.81 1.12 -1.48 -0.65 114.38 113.40 2yub h ARG 61 Ca -0.25 -0.00 0.04 0.00 -1.11 0.00 0.00 59.98 58.65 2yub h ARG 61 Cb 1.39 -0.01 -0.06 0.00 -0.01 0.00 0.00 29.97 31.28 2yub h ARG 61 CO -0.07 0.04 -0.43 -0.91 -3.11 0.00 0.00 179.97 175.49 2yub h ASN 62 N 0.06 -1.34 0.00 -3.80 2.35 -1.73 -3.28 115.58 107.84 2yub h ASN 62 Ca 0.65 0.17 0.00 0.00 -0.55 0.00 0.00 56.30 56.57 2yub h ASN 62 Cb 2.45 0.53 0.00 0.00 0.05 0.00 0.00 38.32 41.35 2yub h ASN 62 CO -0.08 -0.45 0.00 0.00 -1.65 0.00 0.00 177.43 175.25 2yub n ALA 63 N -2.92 -0.06 -0.34 -0.83 0.00 -0.25 -4.79 120.51 111.31 2yub n ALA 63 Ca -0.05 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.15 2yub n ALA 63 Cb 0.37 0.03 0.23 0.00 0.00 0.00 0.00 19.45 20.08 2yub n ALA 63 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2yub n ILE 64 N -0.77 0.00 0.00 0.00 3.06 -1.22 -5.06 119.36 115.38 2yub n ILE 64 Ca 0.00 -0.01 0.00 0.00 -2.50 0.00 0.00 62.75 60.24 2yub n ILE 64 Cb 0.00 -0.78 0.00 0.00 0.54 0.00 0.00 39.64 39.40 2yub n ILE 64 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 2yub n HIS 65 N -5.26 0.00 -2.09 9.51 8.25 -1.26 -4.85 115.22 119.52 2yub n HIS 65 Ca 0.11 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.14 2yub n HIS 65 Cb 0.48 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.56 2yub n HIS 65 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2yub s PRO 66 N -2.00 3.48 0.00 -0.41 0.04 -1.26 -2.65 135.00 132.19 2yub s PRO 66 Ca 0.00 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2yub s PRO 66 Cb 0.00 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.41 2yub s PRO 66 CO 0.00 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 175.77 2yub n GLY 67 N 5.21 1.23 3.88 0.56 0.00 -1.07 -5.03 105.19 109.97 2yub n GLY 67 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.38 6.51 -0.02 1.61 1.11 -1.09 -4.88 116.67 118.54 2yub s ASP 68 Ca 0.00 1.08 -0.01 0.00 0.18 0.00 0.00 52.55 53.80 2yub s ASP 68 Cb 0.00 -2.30 -0.04 0.00 1.07 0.00 0.00 42.92 41.65 2yub s ASP 68 CO 0.00 -0.37 0.09 0.00 1.18 0.00 0.00 175.17 176.06 2yub s ARG 69 N -3.80 3.12 0.01 8.23 1.70 -1.26 -2.08 118.95 124.87 2yub s ARG 69 Ca 0.50 -0.43 0.03 0.00 -0.47 0.00 0.00 55.73 55.36 2yub s ARG 69 Cb -0.10 -2.90 -0.04 0.00 -0.57 0.00 0.00 34.95 31.34 2yub s ARG 69 CO 0.31 0.67 -0.03 0.42 -1.08 0.00 0.00 175.30 175.59 2yub s ILE 70 N -1.16 3.92 -0.05 4.99 1.01 -1.23 -2.64 121.20 126.04 2yub s ILE 70 Ca 0.21 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 60.22 2yub s ILE 70 Cb -0.12 -2.75 -0.12 0.00 0.01 0.00 0.00 42.46 39.49 2yub s ILE 70 CO 0.12 0.35 0.10 0.18 0.00 0.00 0.00 174.94 175.69 2yub n LEU 71 N 1.35 0.00 -3.76 2.97 4.77 -1.13 -4.57 117.00 116.64 2yub n LEU 71 Ca -0.14 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.70 2yub n LEU 71 Cb 0.53 0.12 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 2yub n LEU 71 CO 0.33 0.12 0.02 -1.61 -1.33 0.00 0.00 177.39 174.91 2yub s GLU 72 N -2.38 0.49 -0.21 3.23 2.02 -1.26 -3.04 118.70 117.55 2yub s GLU 72 Ca -0.04 0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.21 2yub s GLU 72 Cb 0.04 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.54 2yub s GLU 72 CO 0.35 -0.10 -0.15 0.42 0.02 0.00 0.00 175.26 175.81 2yub s ILE 73 N -0.35 1.96 -0.86 -1.63 1.01 -0.37 -2.28 121.20 118.68 2yub s ILE 73 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 60.65 59.46 2yub s ILE 73 Cb -0.03 -1.92 0.00 0.00 0.01 0.00 0.00 42.46 40.52 2yub s ILE 73 CO 0.02 0.28 0.00 0.59 0.00 0.00 0.00 174.94 175.83 2yub n ASN 74 N 4.59 -4.18 -0.10 3.58 3.02 -0.01 -2.90 115.26 119.26 2yub n ASN 74 Ca -0.17 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2yub n ASN 74 Cb 0.47 -2.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.24 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 -1.71 1.02 2.95 7.41 0.00 -1.26 -4.88 105.19 108.71 2yub n GLY 75 Ca -0.08 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.20 0.13 -0.20 2.61 -4.23 -1.14 -5.12 115.64 105.48 2yub s THR 76 Ca 0.00 -0.57 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 2yub s THR 76 Cb 0.00 -0.21 -0.03 0.00 1.34 0.00 0.00 72.50 73.60 2yub s THR 76 CO 0.00 -0.28 1.60 -2.16 -0.54 0.00 0.00 174.62 173.24 2yub s PRO 77 N -0.88 3.87 0.12 3.99 0.04 -1.26 -1.24 135.00 139.64 2yub s PRO 77 Ca -0.09 1.72 0.22 0.00 0.04 0.00 0.00 61.00 62.90 2yub s PRO 77 Cb -0.06 -4.01 0.89 0.00 0.04 0.00 0.00 34.50 31.36 2yub s PRO 77 CO -0.00 -1.20 1.70 1.33 0.04 0.00 0.00 177.00 178.86 2yub n VAL 78 N 6.23 0.67 0.06 -0.36 0.24 -1.17 -1.71 118.33 122.29 2yub n VAL 78 Ca 0.18 0.09 -0.14 0.00 -2.04 0.00 0.00 64.34 62.43 2yub n VAL 78 Cb 0.45 -0.87 -0.05 0.00 -1.47 0.00 0.00 33.84 31.90 2yub n VAL 78 CO 0.00 0.00 0.00 0.08 -2.14 0.00 0.00 176.83 174.77 2yub h ARG 79 N 0.00 0.47 0.00 7.34 0.11 -1.81 -3.31 114.38 117.19 2yub h ARG 79 Ca 0.00 -0.49 -0.18 0.00 0.10 0.00 0.00 59.98 59.41 2yub h ARG 79 Cb 0.43 0.13 -0.03 0.00 1.11 0.00 0.00 29.97 31.61 2yub h ARG 79 CO 0.00 1.13 -1.72 0.25 0.10 0.00 0.00 179.97 179.74 2yub n THR 80 N -3.78 1.03 -2.15 0.08 -2.24 -1.15 -4.27 114.28 101.80 2yub n THR 80 Ca -0.07 -0.69 -0.42 0.00 -2.27 0.00 0.00 64.05 60.59 2yub n THR 80 Cb 0.83 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.47 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 -5.50 4.36 1.37 3.22 1.43 -0.69 -4.81 118.68 118.05 2yub s LEU 81 Ca -0.05 2.29 -0.20 0.00 -1.03 0.00 0.00 54.13 55.14 2yub s LEU 81 Cb 0.09 -3.58 0.35 0.00 0.03 0.00 0.00 46.19 43.08 2yub s LEU 81 CO 0.83 -0.70 0.95 -0.13 0.23 0.00 0.00 176.35 177.53 2yub s ARG 82 N 1.61 -2.52 0.04 1.70 1.81 -1.26 -2.92 118.95 117.40 2yub s ARG 82 Ca 0.65 0.35 -0.25 0.00 -1.72 0.00 0.00 55.73 54.76 2yub s ARG 82 Cb -0.36 -1.41 -0.14 0.00 -0.45 0.00 0.00 34.95 32.59 2yub s ARG 82 CO 0.29 -4.65 1.32 0.28 -0.68 0.00 0.00 175.30 171.86 2yub h VAL 83 N -3.27 0.00 -0.74 3.52 2.07 -1.87 -1.51 116.25 114.45 2yub h VAL 83 Ca -0.49 -0.04 0.21 0.00 0.82 0.00 0.00 66.70 67.21 2yub h VAL 83 Cb 1.34 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2yub h VAL 83 CO 0.35 0.00 0.79 1.05 0.02 0.00 0.00 177.57 179.77 2yub h GLU 84 N -0.95 0.00 0.11 1.57 4.11 -1.93 0.40 114.58 117.90 2yub h GLU 84 Ca -0.09 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.33 2yub h GLU 84 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2yub h GLU 84 CO 0.15 0.00 -0.05 0.93 0.07 0.00 0.00 179.01 180.11 2yub h GLU 85 N 0.00 -0.14 -0.02 1.06 4.39 -1.79 0.11 114.58 118.19 2yub h GLU 85 Ca 0.35 0.01 0.01 0.00 0.34 0.00 0.00 59.36 60.07 2yub h GLU 85 Cb 1.92 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 30.60 2yub h GLU 85 CO -0.00 0.31 0.05 0.28 -1.16 0.00 0.00 179.01 178.49 2yub h VAL 86 N -0.92 0.24 0.00 3.13 2.07 0.06 -1.83 116.25 119.01 2yub h VAL 86 Ca -0.01 0.00 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 2yub h VAL 86 Cb 0.52 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2yub h VAL 86 CO 0.02 0.00 -1.28 -0.62 0.02 0.00 0.00 177.57 175.72 2yub n GLU 87 N -3.43 0.56 -0.23 1.57 -0.58 -0.46 -4.19 120.64 113.89 2yub n GLU 87 Ca -0.02 0.57 0.19 0.00 -0.42 0.00 0.00 57.16 57.48 2yub n GLU 87 Cb 0.13 -1.74 0.52 0.00 -0.57 0.00 0.00 31.44 29.78 2yub n GLU 87 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2yub h ASP 88 N -1.00 0.39 -0.75 1.62 5.19 -0.46 -0.00 116.42 121.40 2yub h ASP 88 Ca -0.35 0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.16 2yub h ASP 88 Cb 1.30 -0.03 -0.06 0.00 0.18 0.00 0.00 39.33 40.72 2yub h ASP 88 CO -0.21 0.16 0.43 0.00 -3.12 0.00 0.00 179.24 176.50 2yub h ALA 89 N 1.61 1.03 0.35 3.45 0.00 -1.51 0.14 119.26 124.34 2yub h ALA 89 Ca 0.45 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.36 2yub h ALA 89 Cb 1.15 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2yub h ALA 89 CO -0.16 0.11 -0.17 0.82 0.00 0.00 0.00 179.25 179.85 2yub h ILE 90 N 0.77 0.00 0.00 0.00 1.08 -1.17 -3.09 117.51 115.11 2yub h ILE 90 Ca 0.34 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 2yub h ILE 90 Cb 0.23 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 33.98 2yub h ILE 90 CO -0.20 0.00 0.32 0.07 -0.69 0.00 0.00 178.15 177.65 2yub h LYS 91 N -0.75 0.00 -5.44 2.37 2.10 -1.45 -3.35 116.57 110.05 2yub h LYS 91 Ca -0.05 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.33 2yub h LYS 91 Cb 0.36 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.66 2yub h LYS 91 CO 0.08 0.00 0.87 -0.65 -2.00 0.00 0.00 179.45 177.75 2yub s GLN 92 N -3.90 2.29 -1.11 0.07 -1.52 0.49 -4.81 119.66 111.16 2yub s GLN 92 Ca -0.03 -0.95 -0.04 0.00 -1.95 0.00 0.00 55.36 52.39 2yub s GLN 92 Cb 0.07 -5.18 0.28 0.00 -0.22 0.00 0.00 33.01 27.96 2yub s GLN 92 CO 0.23 -4.17 1.71 0.25 -0.25 0.00 0.00 175.29 173.07 2yub n THR 93 N 8.01 5.42 0.00 -0.19 -2.24 -1.26 -4.41 114.28 119.62 2yub n THR 93 Ca 0.44 -5.61 0.00 0.00 -2.27 0.00 0.00 64.05 56.61 2yub n THR 93 Cb 0.47 -1.97 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 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 1.31 0.08 -3.67 3.42 2.88 -1.26 -3.69 113.62 112.70 2yub n SER 94 Ca 0.37 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.78 2yub n SER 94 Cb 0.31 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.79 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yub n GLN 95 N -2.53 0.90 -2.11 -1.46 1.13 -1.26 -4.40 117.38 107.65 2yub n GLN 95 Ca 0.00 -1.90 -0.42 0.00 -1.94 0.00 0.00 57.00 52.74 2yub n GLN 95 Cb 0.11 0.04 -0.03 0.00 0.11 0.00 0.00 30.24 30.47 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 -1.33 3.75 -0.53 5.09 2.01 -1.26 -2.54 115.64 120.83 2yub s THR 96 Ca 0.27 0.90 -0.22 0.00 0.31 0.00 0.00 61.69 62.94 2yub s THR 96 Cb -0.02 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.95 2yub s THR 96 CO 0.17 -0.09 0.83 -0.22 -0.69 0.00 0.00 174.62 174.62 2yub s LEU 97 N 3.97 4.38 0.09 4.42 2.96 0.17 -4.89 118.68 129.78 2yub s LEU 97 Ca 0.69 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 54.01 2yub s LEU 97 Cb -0.30 -2.72 -0.06 0.00 0.50 0.00 0.00 46.19 43.61 2yub s LEU 97 CO 0.26 -1.10 0.38 -1.10 -1.32 0.00 0.00 176.35 173.47 2yub s GLN 98 N 3.49 3.70 -0.02 1.98 -0.21 -1.26 -3.40 119.66 123.93 2yub s GLN 98 Ca 0.26 0.08 -0.00 0.00 0.02 0.00 0.00 55.36 55.71 2yub s GLN 98 Cb -0.15 -2.97 0.03 0.00 1.00 0.00 0.00 33.01 30.93 2yub s GLN 98 CO 0.17 0.55 0.04 -0.51 -2.12 0.00 0.00 175.29 173.41 2yub s LEU 99 N -2.08 0.88 -0.25 2.90 1.43 -1.13 -0.83 118.68 119.61 2yub s LEU 99 Ca 0.34 0.05 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2yub s LEU 99 Cb -0.13 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 45.97 2yub s LEU 99 CO 0.19 -0.15 0.11 -0.22 0.23 0.00 0.00 176.35 176.51 2yub s LEU 100 N 1.29 3.65 0.15 1.79 2.96 -0.97 -2.77 118.68 124.79 2yub s LEU 100 Ca -0.06 -0.12 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 2yub s LEU 100 Cb -0.13 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 2yub s LEU 100 CO -0.03 -0.02 0.24 -0.63 -1.32 0.00 0.00 176.35 174.59 2yub s ILE 101 N 1.55 5.06 -0.14 6.68 -1.09 -0.39 -2.82 121.20 130.04 2yub s ILE 101 Ca 0.06 -0.81 0.01 0.00 -2.23 0.00 0.00 60.65 57.68 2yub s ILE 101 Cb -0.15 -3.60 0.02 0.00 -1.58 0.00 0.00 42.46 37.15 2yub s ILE 101 CO 0.06 -0.10 -0.15 -0.70 -1.23 0.00 0.00 174.94 172.81 2yub s GLU 102 N -3.20 2.39 0.20 2.79 2.12 -1.08 -3.04 118.70 118.89 2yub s GLU 102 Ca 0.33 -0.60 -0.16 0.00 0.36 0.00 0.00 54.97 54.90 2yub s GLU 102 Cb -0.11 -2.13 -0.08 0.00 0.26 0.00 0.00 34.13 32.08 2yub s GLU 102 CO 0.27 -0.19 0.63 -1.58 -0.54 0.00 0.00 175.26 173.85 2yub s HIS 103 N 1.33 3.58 -0.48 5.30 5.65 -0.75 -4.60 115.29 125.32 2yub s HIS 103 Ca 0.02 1.17 0.04 0.00 0.25 0.00 0.00 55.06 56.54 2yub s HIS 103 Cb -0.13 -2.46 0.21 0.00 -1.18 0.00 0.00 32.58 29.02 2yub s HIS 103 CO -0.09 0.35 0.86 -3.47 -0.65 0.00 0.00 174.74 171.74 2yub n ASP 104 N 0.57 -2.90 -0.02 9.88 2.03 -1.26 -4.40 116.55 120.46 2yub n ASP 104 Ca -0.03 -2.71 -0.13 0.00 0.52 0.00 0.00 54.79 52.44 2yub n ASP 104 Cb 0.52 1.58 -0.09 0.00 -0.72 0.00 0.00 41.12 42.40 2yub n ASP 104 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2yub h PRO 105 N 4.47 0.07 -6.14 -0.67 0.13 -1.99 -3.44 132.00 124.43 2yub h PRO 105 Ca -0.03 -0.04 -0.59 0.00 -0.87 0.00 0.00 66.00 64.47 2yub h PRO 105 Cb 1.10 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.19 2yub h PRO 105 CO 0.08 0.54 -0.15 0.08 -0.23 0.00 0.00 178.00 178.32 2yub s VAL 106 N -4.26 4.94 1.05 1.56 1.01 -1.26 -5.08 120.40 118.35 2yub s VAL 106 Ca -0.16 0.86 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2yub s VAL 106 Cb 0.02 -3.75 0.21 0.00 0.00 0.00 0.00 36.38 32.87 2yub s VAL 106 CO 0.69 0.46 1.10 -2.16 0.00 0.00 0.00 175.10 175.18 2yub s PRO 107 N -1.41 0.03 -0.01 2.72 0.04 -1.26 -4.92 135.00 130.19 2yub s PRO 107 Ca 0.29 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.75 2yub s PRO 107 Cb -0.16 -1.70 0.13 0.00 0.04 0.00 0.00 34.50 32.81 2yub s PRO 107 CO 0.17 -2.97 0.99 0.94 0.04 0.00 0.00 177.00 176.17 2yub n GLN 108 N -4.32 1.45 -4.79 4.56 7.27 -1.26 -4.75 117.38 115.54 2yub n GLN 108 Ca 0.06 -0.54 -0.30 0.00 0.07 0.00 0.00 57.00 56.29 2yub n GLN 108 Cb 0.58 -1.27 -0.17 0.00 2.41 0.00 0.00 30.24 31.79 2yub n GLN 108 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2yub s ARG 109 N -1.67 2.69 0.55 3.69 3.00 -1.26 -5.13 118.95 120.81 2yub s ARG 109 Ca 0.10 -0.74 0.06 0.00 -1.00 0.00 0.00 55.73 54.15 2yub s ARG 109 Cb 0.06 -2.14 0.05 0.00 0.00 0.00 0.00 34.95 32.91 2yub s ARG 109 CO 0.05 0.04 0.48 -0.51 0.00 0.00 0.00 175.30 175.37 2yub s LEU 110 N 0.68 2.80 0.00 -0.88 1.43 -1.26 -4.97 118.68 116.48 2yub s LEU 110 Ca -0.12 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.83 2yub s LEU 110 Cb -0.16 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.75 2yub s LEU 110 CO 0.02 -1.14 0.00 0.47 0.23 0.00 0.00 176.35 175.94 2yub n ASP 111 N -1.85 0.00 -4.45 2.29 8.00 -1.26 -5.15 116.55 114.13 2yub n ASP 111 Ca 0.02 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.15 2yub n ASP 111 Cb 0.64 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.79 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 0.00 0.36 -0.35 -1.24 6.02 -1.26 -4.93 117.38 115.98 2yub n GLN 112 Ca 0.00 0.16 0.07 0.00 -0.01 0.00 0.00 57.00 57.22 2yub n GLN 112 Cb 0.00 -1.76 0.14 0.00 1.02 0.00 0.00 30.24 29.64 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2yub n SER 113 N 0.07 1.85 0.00 1.08 2.88 -1.26 -5.10 113.62 113.14 2yub n SER 113 Ca 0.10 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.47 2yub n SER 113 Cb 0.49 -0.43 0.00 0.00 -0.75 0.00 0.00 64.21 63.52 2yub n SER 113 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yub n GLY 114 N -1.09 2.48 1.43 0.46 0.00 -1.26 -5.08 105.19 102.14 2yub n GLY 114 Ca 0.15 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 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 1.27 -1.89 -0.72 1.61 -0.04 -1.26 -5.03 135.00 128.94 2yub n PRO 115 Ca 0.00 -0.71 -0.03 0.00 -0.04 0.00 0.00 63.50 62.72 2yub n PRO 115 Cb 0.00 -0.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.76 2yub n PRO 115 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yub n SER 116 N -3.77 -0.41 -2.08 3.54 3.41 -1.26 -4.98 113.62 108.07 2yub n SER 116 Ca 0.06 -1.44 -0.15 0.00 -0.26 0.00 0.00 58.87 57.09 2yub n SER 116 Cb 0.24 0.12 -0.13 0.00 -0.26 0.00 0.00 64.21 64.18 2yub n SER 116 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yub n SER 117 N 0.00 5.55 0.00 4.04 2.88 -1.26 -5.34 113.62 119.49 2yub n SER 117 Ca -0.12 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.77 2yub n SER 117 Cb 0.59 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42