#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 3.70 -0.65 1.61 1.04 -1.26 -5.06 113.70 113.07 2yub s SER 2 Ca 0.00 -1.50 0.04 0.00 0.48 0.00 0.00 55.95 54.97 2yub s SER 2 Cb 0.00 -0.56 0.16 0.00 0.10 0.00 0.00 66.02 65.72 2yub s SER 2 CO 0.00 -0.42 0.43 -0.94 0.98 0.00 0.00 173.24 173.29 2yub s SER 3 N 1.82 4.76 0.00 7.02 1.04 -1.26 -4.78 113.70 122.31 2yub s SER 3 Ca 0.10 -3.52 0.00 0.00 0.48 0.00 0.00 55.95 53.01 2yub s SER 3 Cb -0.17 -1.67 0.00 0.00 0.10 0.00 0.00 66.02 64.28 2yub s SER 3 CO -0.30 -0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2yub n GLY 4 N 2.44 0.32 2.69 7.32 0.00 -1.26 -5.14 105.19 111.57 2yub n GLY 4 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 2yub n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yub s SER 5 N 0.00 3.49 0.02 1.61 0.01 -1.26 -5.12 113.70 112.45 2yub s SER 5 Ca 0.00 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2yub s SER 5 Cb 0.00 -0.65 -0.00 0.00 0.21 0.00 0.00 66.02 65.58 2yub s SER 5 CO 0.00 -0.38 0.01 -1.20 0.41 0.00 0.00 173.24 172.08 2yub n SER 6 N 5.01 0.59 0.00 2.44 7.64 -1.26 -5.14 113.62 122.90 2yub n SER 6 Ca -0.05 -1.12 0.00 0.00 1.01 0.00 0.00 58.87 58.70 2yub n SER 6 Cb 0.44 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 2yub n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yub n GLY 7 N 1.36 -0.59 1.25 0.23 0.00 -1.26 -5.02 105.19 101.15 2yub n GLY 7 Ca -0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2yub n GLY 7 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2yub n VAL 8 N -0.29 0.05 -2.45 1.61 0.31 -1.26 -5.12 118.33 111.18 2yub n VAL 8 Ca 0.00 0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.31 2yub n VAL 8 Cb 0.00 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2yub n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yub n GLN 9 N -2.55 -2.16 -2.85 5.55 6.02 -1.26 -5.06 117.38 115.06 2yub n GLN 9 Ca 0.00 1.94 -0.01 0.00 -0.01 0.00 0.00 57.00 58.92 2yub n GLN 9 Cb 0.00 -4.44 0.01 0.00 1.02 0.00 0.00 30.24 26.83 2yub n GLN 9 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2yub s ASP 10 N -1.73 -0.84 0.40 1.08 2.15 -1.26 -5.15 116.67 111.32 2yub s ASP 10 Ca 0.10 -0.68 0.00 0.00 0.43 0.00 0.00 52.55 52.40 2yub s ASP 10 Cb -0.03 1.09 0.00 0.00 -0.30 0.00 0.00 42.92 43.68 2yub s ASP 10 CO 0.57 -0.07 0.00 0.00 -0.17 0.00 0.00 175.17 175.51 2yub n GLN 11 N 3.46 0.00 -1.80 4.34 10.64 -1.26 -4.65 117.38 128.10 2yub n GLN 11 Ca 0.11 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.95 2yub n GLN 11 Cb 0.61 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 30.03 2yub n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2yub s LEU 12 N 0.00 3.40 0.29 2.61 1.02 -1.26 -4.99 118.68 119.76 2yub s LEU 12 Ca 0.00 1.96 -0.29 0.00 0.02 0.00 0.00 54.13 55.82 2yub s LEU 12 Cb 0.00 -4.55 -0.10 0.00 0.02 0.00 0.00 46.19 41.56 2yub s LEU 12 CO 0.00 -1.55 1.24 -2.16 0.02 0.00 0.00 176.35 173.90 2yub s PRO 13 N -4.11 4.46 0.02 1.29 0.04 -1.26 -5.03 135.00 130.41 2yub s PRO 13 Ca 0.66 2.06 -0.06 0.00 0.04 0.00 0.00 61.00 63.70 2yub s PRO 13 Cb -0.20 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2yub s PRO 13 CO 0.41 -0.06 0.28 -0.47 0.04 0.00 0.00 177.00 177.20 2yub s TYR 14 N -0.97 3.57 -0.03 0.56 5.04 -1.26 -4.65 117.35 119.61 2yub s TYR 14 Ca 0.48 0.56 0.03 0.00 -2.44 0.00 0.00 57.07 55.71 2yub s TYR 14 Cb -0.37 -1.99 -0.00 0.00 0.35 0.00 0.00 41.96 39.96 2yub s TYR 14 CO 0.47 0.59 -0.12 -1.12 -1.34 0.00 0.00 175.55 174.04 2yub s SER 15 N -1.80 1.49 0.17 4.32 0.01 -1.14 -5.08 113.70 111.67 2yub s SER 15 Ca 0.29 -0.23 0.10 0.00 1.31 0.00 0.00 55.95 57.42 2yub s SER 15 Cb -0.13 -0.35 -0.04 0.00 0.21 0.00 0.00 66.02 65.71 2yub s SER 15 CO 0.17 0.11 -0.20 0.68 0.41 0.00 0.00 173.24 174.41 2yub s VAL 16 N 0.05 2.64 -0.00 3.43 -7.23 -1.26 -1.04 120.40 116.98 2yub s VAL 16 Ca -0.01 -1.84 0.05 0.00 -1.81 0.00 0.00 61.98 58.37 2yub s VAL 16 Cb -0.08 -2.26 -0.02 0.00 0.56 0.00 0.00 36.38 34.58 2yub s VAL 16 CO 0.01 -0.07 -0.17 -0.89 -0.31 0.00 0.00 175.10 173.67 2yub s THR 17 N -1.56 1.36 0.20 5.32 2.01 -0.51 -4.94 115.64 117.52 2yub s THR 17 Ca 0.21 -0.80 0.11 0.00 0.31 0.00 0.00 61.69 61.52 2yub s THR 17 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 2yub s THR 17 CO 0.11 0.33 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.93 2yub s LEU 18 N -0.54 2.45 -0.04 4.42 2.96 -1.26 -0.46 118.68 126.21 2yub s LEU 18 Ca 0.06 -0.89 -0.02 0.00 -0.22 0.00 0.00 54.13 53.06 2yub s LEU 18 Cb -0.07 -1.10 0.03 0.00 0.50 0.00 0.00 46.19 45.55 2yub s LEU 18 CO -0.00 0.08 0.09 0.27 -1.32 0.00 0.00 176.35 175.47 2yub s ILE 19 N -1.85 -0.04 -0.27 6.68 -4.36 -0.69 -4.97 121.20 115.70 2yub s ILE 19 Ca 0.21 0.13 -0.00 0.00 -0.26 0.00 0.00 60.65 60.73 2yub s ILE 19 Cb -0.07 -0.16 0.08 0.00 1.25 0.00 0.00 42.46 43.56 2yub s ILE 19 CO 0.10 0.05 0.04 -0.44 0.24 0.00 0.00 174.94 174.93 2yub s SER 20 N 0.77 3.88 0.02 4.36 0.01 -1.26 -2.01 113.70 119.47 2yub s SER 20 Ca -0.06 -1.43 0.05 0.00 1.31 0.00 0.00 55.95 55.82 2yub s SER 20 Cb -0.08 -1.00 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 2yub s SER 20 CO -0.03 -0.34 -0.15 -0.04 0.41 0.00 0.00 173.24 173.09 2yub s MET 21 N 1.51 1.05 0.98 12.44 -1.94 -1.23 -5.00 119.30 127.10 2yub s MET 21 Ca 0.04 -0.70 -0.12 0.00 -1.71 0.00 0.00 55.69 53.20 2yub s MET 21 Cb -0.18 -1.05 0.18 0.00 2.01 0.00 0.00 34.83 35.79 2yub s MET 21 CO -0.15 0.27 1.09 -1.25 -0.01 0.00 0.00 175.02 174.98 2yub s PRO 22 N -0.89 0.57 0.00 2.03 0.04 -1.26 -0.05 135.00 135.44 2yub s PRO 22 Ca 0.03 0.57 0.00 0.00 0.04 0.00 0.00 61.00 61.64 2yub s PRO 22 Cb -0.07 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2yub s PRO 22 CO 0.01 -2.65 0.00 0.00 0.04 0.00 0.00 177.00 174.40 2yub n ALA 23 N -4.13 0.00 -3.66 8.56 0.00 -1.04 -4.60 120.51 115.63 2yub n ALA 23 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2yub n ALA 23 Cb 0.57 0.00 -0.09 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 0.00 -0.58 0.57 0.00 -4.23 -1.26 -5.00 115.64 105.15 2yub s THR 24 Ca 0.00 0.15 0.26 0.00 -1.18 0.00 0.00 61.69 60.92 2yub s THR 24 Cb 0.00 -0.68 0.34 0.00 1.34 0.00 0.00 72.50 73.49 2yub s THR 24 CO 0.00 0.06 2.21 0.71 -0.54 0.00 0.00 174.62 177.06 2yub h THR 25 N 6.07 0.64 0.00 3.99 1.35 -1.97 0.79 112.91 123.77 2yub h THR 25 Ca -0.19 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 2yub h THR 25 Cb 1.12 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.52 2yub h THR 25 CO 0.14 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.79 2yub n GLU 26 N -4.02 0.30 -4.20 4.72 4.71 -1.26 -4.88 120.64 116.01 2yub n GLU 26 Ca -0.02 0.10 -0.39 0.00 -0.01 0.00 0.00 57.16 56.84 2yub n GLU 26 Cb 0.12 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.01 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2yub n ARG 28 N -4.82 0.00 0.00 0.00 0.63 -1.26 -5.04 116.66 106.16 2yub n ARG 28 Ca -0.22 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.71 2yub n ARG 28 Cb 0.63 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.54 2yub n ARG 28 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2yub n ARG 29 N 0.00 0.00 0.00 -0.14 3.00 -1.26 -4.91 116.66 113.35 2yub n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2yub n ARG 29 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -1.23 1.22 3.49 5.14 0.00 -1.26 -5.02 105.19 107.53 2yub n GLY 30 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.99 -0.55 0.19 1.61 -0.71 -1.26 -2.52 117.98 113.74 2yub s PHE 31 Ca 0.00 0.68 0.04 0.00 -1.04 0.00 0.00 56.93 56.62 2yub s PHE 31 Cb 0.00 0.48 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 2yub s PHE 31 CO 0.00 -0.66 0.25 -1.12 -1.34 0.00 0.00 175.22 172.35 2yub s SER 32 N -1.90 6.00 0.20 1.98 0.01 -0.89 -5.01 113.70 114.09 2yub s SER 32 Ca -0.04 0.00 0.05 0.00 1.31 0.00 0.00 55.95 57.27 2yub s SER 32 Cb -0.01 -1.70 -0.05 0.00 0.21 0.00 0.00 66.02 64.48 2yub s SER 32 CO -0.01 0.01 -0.07 0.68 0.41 0.00 0.00 173.24 174.26 2yub s VAL 33 N -1.86 1.21 -0.13 3.43 -7.23 -1.26 -2.51 120.40 112.05 2yub s VAL 33 Ca 0.33 -2.07 0.02 0.00 -1.81 0.00 0.00 61.98 58.45 2yub s VAL 33 Cb -0.10 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2yub s VAL 33 CO 0.27 -0.53 -0.21 -0.89 -0.31 0.00 0.00 175.10 173.42 2yub s THR 34 N -3.30 2.21 -0.09 5.32 2.01 -0.17 -4.70 115.64 116.92 2yub s THR 34 Ca 0.23 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.27 2yub s THR 34 Cb 0.03 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.63 2yub s THR 34 CO 0.05 0.55 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.82 2yub s VAL 35 N 0.65 4.13 -0.05 3.82 1.01 -1.26 -2.94 120.40 125.76 2yub s VAL 35 Ca -0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2yub s VAL 35 Cb -0.16 -2.74 0.03 0.00 0.00 0.00 0.00 36.38 33.51 2yub s VAL 35 CO 0.02 0.58 0.04 -1.61 0.00 0.00 0.00 175.10 174.13 2yub s GLU 36 N -0.65 0.15 -0.30 2.72 0.41 -1.12 -5.05 118.70 114.87 2yub s GLU 36 Ca 0.10 0.27 -0.01 0.00 -0.41 0.00 0.00 54.97 54.92 2yub s GLU 36 Cb -0.12 -0.63 0.05 0.00 -1.78 0.00 0.00 34.13 31.66 2yub s GLU 36 CO 0.02 -0.30 -0.01 0.45 -0.49 0.00 0.00 175.26 174.93 2yub s SER 37 N 1.97 4.86 0.00 -0.19 0.15 -1.26 -2.85 113.70 116.38 2yub s SER 37 Ca 0.03 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.40 2yub s SER 37 Cb -0.12 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.49 2yub s SER 37 CO -0.04 -0.26 0.23 0.00 1.20 0.00 0.00 173.24 174.38 2yub n ALA 38 N 4.61 0.00 -2.82 5.45 0.00 -1.26 -4.62 120.51 121.87 2yub n ALA 38 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.20 2yub n ALA 38 Cb 0.43 0.09 0.06 0.00 0.00 0.00 0.00 19.45 20.03 2yub n ALA 38 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2yub n SER 39 N -0.40 -0.70 0.00 0.00 3.41 -1.26 -5.12 113.62 109.55 2yub n SER 39 Ca 0.00 -3.03 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 2yub n SER 39 Cb 0.00 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2yub n SER 39 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yub n SER 40 N 0.02 0.00 -0.07 4.04 2.88 -1.26 -5.06 113.62 114.17 2yub n SER 40 Ca 0.09 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 57.64 2yub n SER 40 Cb 0.75 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.22 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2yub n ASN 41 N 0.00 1.19 -4.48 -3.46 2.85 -1.26 -5.03 115.26 105.07 2yub n ASN 41 Ca 0.00 -1.11 -0.26 0.00 -0.11 0.00 0.00 54.58 53.09 2yub n ASN 41 Cb 0.00 -0.00 -0.11 0.00 1.24 0.00 0.00 39.78 40.91 2yub n ASN 41 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2yub s TYR 42 N -0.18 2.41 1.23 1.20 1.13 -1.26 -3.96 117.35 117.91 2yub s TYR 42 Ca 0.02 -0.31 -0.15 0.00 -1.41 0.00 0.00 57.07 55.22 2yub s TYR 42 Cb 0.02 -1.17 0.31 0.00 -1.10 0.00 0.00 41.96 40.01 2yub s TYR 42 CO 0.02 0.53 1.01 0.00 -2.51 0.00 0.00 175.55 174.60 2yub s ALA 43 N -1.80 -0.57 0.00 9.51 0.00 -0.95 -4.72 121.76 123.24 2yub s ALA 43 Ca 0.23 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2yub s ALA 43 Cb -0.08 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2yub s ALA 43 CO 0.12 -4.02 0.00 0.25 0.00 0.00 0.00 175.76 172.11 2yub n THR 44 N -5.08 0.00 -4.80 0.00 -2.24 -1.14 -4.62 114.28 96.41 2yub n THR 44 Ca 0.05 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.56 2yub n THR 44 Cb 0.56 -0.16 -0.15 0.00 -2.10 0.00 0.00 70.33 68.48 2yub n THR 44 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2yub s THR 45 N -1.78 1.70 -0.01 4.28 2.01 -1.13 -4.69 115.64 116.01 2yub s THR 45 Ca 0.00 -1.11 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 2yub s THR 45 Cb 0.00 -1.45 0.02 0.00 0.01 0.00 0.00 72.50 71.08 2yub s THR 45 CO 0.00 0.31 0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 2yub s VAL 46 N -0.69 -0.04 -0.06 3.82 1.01 -1.26 -2.78 120.40 120.40 2yub s VAL 46 Ca 0.08 0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 2yub s VAL 46 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 36.38 36.26 2yub s VAL 46 CO 0.01 0.06 0.15 0.00 0.00 0.00 0.00 175.10 175.32 2yub s GLN 47 N 0.74 0.15 -0.44 2.72 -2.07 -1.15 -2.93 119.66 116.68 2yub s GLN 47 Ca -0.06 0.27 -0.28 0.00 -1.82 0.00 0.00 55.36 53.47 2yub s GLN 47 Cb -0.09 -0.01 -0.01 0.00 -1.09 0.00 0.00 33.01 31.81 2yub s GLN 47 CO -0.02 -0.07 1.75 0.08 -1.32 0.00 0.00 175.29 175.71 2yub s VAL 48 N 0.47 3.51 0.02 3.63 1.01 -1.11 -0.99 120.40 126.94 2yub s VAL 48 Ca -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 61.98 62.28 2yub s VAL 48 Cb -0.05 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 2yub s VAL 48 CO -0.02 -0.64 1.16 0.50 0.00 0.00 0.00 175.10 176.11 2yub h LYS 49 N 13.17 -0.45 -4.60 2.72 3.64 -1.77 -2.13 116.57 127.16 2yub h LYS 49 Ca -0.30 0.03 -0.21 0.00 -1.27 0.00 0.00 60.65 58.90 2yub h LYS 49 Cb 1.16 0.10 -0.15 0.00 -0.41 0.00 0.00 32.23 32.93 2yub h LYS 49 CO 1.10 -0.30 -0.70 -1.21 -2.27 0.00 0.00 179.45 176.08 2yub s GLU 50 N -3.96 0.80 -0.02 1.90 2.02 -1.23 -4.33 118.70 113.88 2yub s GLU 50 Ca -0.07 -1.30 0.00 0.00 0.02 0.00 0.00 54.97 53.62 2yub s GLU 50 Cb 0.01 -0.16 0.02 0.00 0.10 0.00 0.00 34.13 34.09 2yub s GLU 50 CO 0.20 -0.03 0.00 0.08 0.02 0.00 0.00 175.26 175.54 2yub s VAL 51 N -3.58 0.10 -0.20 2.63 1.01 -1.26 -2.09 120.40 117.01 2yub s VAL 51 Ca 0.11 0.08 -0.08 0.00 0.00 0.00 0.00 61.98 62.08 2yub s VAL 51 Cb 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.21 2yub s VAL 51 CO -0.05 0.10 0.09 0.21 0.00 0.00 0.00 175.10 175.44 2yub s ASN 52 N 0.73 5.71 0.07 3.32 2.47 -1.05 -4.89 114.94 121.30 2yub s ASN 52 Ca -0.07 0.07 0.26 0.00 0.42 0.00 0.00 52.86 53.54 2yub s ASN 52 Cb -0.10 -2.00 0.70 0.00 -1.45 0.00 0.00 41.25 38.41 2yub s ASN 52 CO -0.02 0.13 1.58 0.54 -3.72 0.00 0.00 177.10 175.62 2yub n ARG 53 N 3.83 0.12 -0.02 0.43 1.74 -1.26 -3.06 116.66 118.44 2yub n ARG 53 Ca -0.16 0.06 -0.16 0.00 -0.77 0.00 0.00 57.85 56.82 2yub n ARG 53 Cb 0.52 -1.60 -0.11 0.00 -1.02 0.00 0.00 32.46 30.26 2yub n ARG 53 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 2yub h MET 54 N 0.00 0.28 0.00 5.56 4.05 -1.94 -3.27 114.93 119.61 2yub h MET 54 Ca 0.00 -0.27 -0.03 0.00 -0.28 0.00 0.00 59.70 59.13 2yub h MET 54 Cb 0.60 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.47 2yub h MET 54 CO 0.00 0.95 -0.12 1.25 0.23 0.00 0.00 176.91 179.22 2yub h HIS 55 N -0.30 0.00 -3.41 1.39 2.76 -1.88 -3.41 115.15 110.31 2yub h HIS 55 Ca -0.04 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.42 2yub h HIS 55 Cb 1.05 0.00 -0.32 0.00 1.55 0.00 0.00 27.41 29.70 2yub h HIS 55 CO 0.15 0.12 -0.48 0.42 -1.30 0.00 0.00 177.93 176.85 2yub s ILE 56 N -3.19 3.77 0.59 6.26 1.01 -1.17 -5.00 121.20 123.47 2yub s ILE 56 Ca 0.06 -1.86 -0.18 0.00 0.00 0.00 0.00 60.65 58.67 2yub s ILE 56 Cb 0.06 -3.50 -0.14 0.00 0.01 0.00 0.00 42.46 38.88 2yub s ILE 56 CO 0.68 -0.70 -0.17 -0.24 0.00 0.00 0.00 174.94 174.51 2yub n SER 57 N 4.76 -3.82 -3.57 3.58 2.88 -1.26 -4.64 113.62 111.56 2yub n SER 57 Ca -0.06 0.59 -0.41 0.00 -1.33 0.00 0.00 58.87 57.66 2yub n SER 57 Cb 0.41 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 62.95 2yub n SER 57 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2yub n PRO 58 N 1.51 1.43 0.00 -1.46 -0.04 -1.26 -3.24 135.00 131.94 2yub n PRO 58 Ca 0.07 -1.73 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 2yub n PRO 58 Cb 0.48 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.11 2yub n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2yub n ASN 59 N 7.25 0.00 -0.01 3.54 3.02 -1.26 -4.91 115.26 122.88 2yub n ASN 59 Ca 0.48 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.14 2yub n ASN 59 Cb 0.38 0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 39.76 2yub n ASN 59 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2yub n ASN 60 N -1.99 0.87 0.14 6.41 3.02 -1.20 -4.04 115.26 118.47 2yub n ASN 60 Ca 0.00 -0.79 0.13 0.00 -0.03 0.00 0.00 54.58 53.89 2yub n ASN 60 Cb 0.00 0.75 0.35 0.00 -0.61 0.00 0.00 39.78 40.28 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 0.07 0.00 0.00 3.52 -0.00 -1.83 -3.10 114.38 113.05 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 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.48 2yub h ARG 61 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 179.97 179.00 2yub h ASN 62 N 0.00 0.00 0.27 0.08 -1.24 -1.90 -2.89 115.58 109.91 2yub h ASN 62 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2yub h ASN 62 Cb 0.78 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.83 2yub h ASN 62 CO 0.00 0.00 -1.35 0.00 -1.29 0.00 0.00 177.43 174.79 2yub n ALA 63 N -1.90 3.33 -2.52 1.57 0.00 -1.17 -4.96 120.51 114.86 2yub n ALA 63 Ca 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 2yub n ALA 63 Cb 0.35 -0.88 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.29 2.00 0.00 0.00 2.07 -1.09 -4.90 121.20 115.99 2yub s ILE 64 Ca -0.00 -2.15 0.00 0.00 -1.41 0.00 0.00 60.65 57.09 2yub s ILE 64 Cb 0.14 -2.64 0.00 0.00 0.13 0.00 0.00 42.46 40.09 2yub s ILE 64 CO 0.85 -0.19 0.00 1.41 -1.91 0.00 0.00 174.94 175.10 2yub n HIS 65 N -0.75 0.00 -2.14 3.50 8.25 -1.26 -4.83 115.22 117.99 2yub n HIS 65 Ca -0.05 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.98 2yub n HIS 65 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 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 4.08 0.00 -0.41 0.04 -1.26 -3.16 135.00 132.28 2yub s PRO 66 Ca 0.00 1.90 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2yub s PRO 66 Cb 0.00 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2yub s PRO 66 CO 0.00 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.50 2yub n GLY 67 N 4.17 1.47 0.00 0.56 0.00 -0.80 -5.03 105.19 105.56 2yub n GLY 67 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2yub n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yub n ASP 68 N 0.00 0.00 -3.73 1.61 9.92 -1.19 -4.93 116.55 118.23 2yub n ASP 68 Ca 0.00 -0.46 -0.12 0.00 -0.53 0.00 0.00 54.79 53.68 2yub n ASP 68 Cb 0.00 0.00 -0.12 0.00 -0.64 0.00 0.00 41.12 40.36 2yub n ASP 68 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2yub s ARG 69 N 0.62 0.29 -0.12 -1.24 1.70 -1.26 -2.73 118.95 116.20 2yub s ARG 69 Ca 0.00 0.58 -0.11 0.00 -0.47 0.00 0.00 55.73 55.73 2yub s ARG 69 Cb 0.00 -0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.30 2yub s ARG 69 CO 0.00 -0.14 0.25 0.42 -1.08 0.00 0.00 175.30 174.75 2yub s ILE 70 N 1.07 5.32 -0.19 4.99 1.01 -1.15 -2.36 121.20 129.89 2yub s ILE 70 Ca -0.07 0.46 0.14 0.00 0.00 0.00 0.00 60.65 61.18 2yub s ILE 70 Cb -0.08 -3.55 -0.24 0.00 0.01 0.00 0.00 42.46 38.60 2yub s ILE 70 CO -0.08 0.51 0.08 0.18 0.00 0.00 0.00 174.94 175.63 2yub n LEU 71 N 2.68 0.61 -3.73 2.97 4.77 -0.55 -4.55 117.00 119.20 2yub n LEU 71 Ca -0.15 0.02 -0.14 0.00 -0.03 0.00 0.00 56.01 55.71 2yub n LEU 71 Cb 0.53 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.75 2yub n LEU 71 CO 0.36 0.57 0.08 -1.61 -1.33 0.00 0.00 177.39 175.46 2yub s GLU 72 N -2.51 0.67 -0.05 3.23 2.02 -1.26 -3.30 118.70 117.50 2yub s GLU 72 Ca -0.14 0.03 0.02 0.00 0.02 0.00 0.00 54.97 54.90 2yub s GLU 72 Cb 0.07 0.30 0.01 0.00 0.10 0.00 0.00 34.13 34.61 2yub s GLU 72 CO 0.79 -0.17 -0.11 0.42 0.02 0.00 0.00 175.26 176.21 2yub s ILE 73 N -0.97 1.03 0.00 -1.63 1.01 -0.84 -1.95 121.20 117.85 2yub s ILE 73 Ca -0.10 -0.44 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2yub s ILE 73 Cb -0.04 -0.94 0.00 0.00 0.01 0.00 0.00 42.46 41.49 2yub s ILE 73 CO 0.04 0.33 0.00 0.59 0.00 0.00 0.00 174.94 175.90 2yub n ASN 74 N 3.69 -4.38 -0.26 3.58 3.02 -0.15 -2.46 115.26 118.29 2yub n ASN 74 Ca -0.22 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2yub n ASN 74 Cb 0.52 -2.60 0.00 0.00 -0.61 0.00 0.00 39.78 37.09 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 -0.33 0.82 3.30 7.41 0.00 -1.26 -4.93 105.19 110.20 2yub n GLY 75 Ca 0.00 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 0.03 -0.02 2.61 -4.23 -1.03 -5.14 115.64 105.67 2yub s THR 76 Ca 0.00 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.97 2yub s THR 76 Cb 0.00 -0.65 -0.05 0.00 1.34 0.00 0.00 72.50 73.14 2yub s THR 76 CO 0.00 -0.13 1.47 -2.16 -0.54 0.00 0.00 174.62 173.26 2yub s PRO 77 N -0.72 4.25 0.24 3.99 0.04 -1.26 -1.98 135.00 139.55 2yub s PRO 77 Ca -0.08 2.02 0.24 0.00 0.04 0.00 0.00 61.00 63.22 2yub s PRO 77 Cb -0.04 -3.68 0.39 0.00 0.04 0.00 0.00 34.50 31.21 2yub s PRO 77 CO 0.04 -0.66 1.45 -0.39 0.04 0.00 0.00 177.00 177.47 2yub h VAL 78 N 5.10 0.00 0.00 -0.36 -1.51 -1.92 -2.43 116.25 115.13 2yub h VAL 78 Ca -0.37 -0.71 0.00 0.00 -1.23 0.00 0.00 66.70 64.38 2yub h VAL 78 Cb 1.17 1.48 0.00 0.00 -2.13 0.00 0.00 31.29 31.82 2yub h VAL 78 CO 0.92 0.00 0.00 0.08 -1.23 0.00 0.00 177.57 177.34 2yub h ARG 79 N 0.00 0.00 0.00 5.19 -0.00 -1.84 -3.22 114.38 114.51 2yub h ARG 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2yub h ARG 79 Cb 0.86 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.83 2yub h ARG 79 CO 0.00 0.00 -0.73 0.25 -0.00 0.00 0.00 179.97 179.49 2yub n THR 80 N -2.35 0.00 -1.71 0.08 -2.24 -1.22 -4.66 114.28 102.18 2yub n THR 80 Ca 0.04 -0.22 -0.31 0.00 -2.27 0.00 0.00 64.05 61.29 2yub n THR 80 Cb 0.37 0.67 0.03 0.00 -2.10 0.00 0.00 70.33 69.30 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 -2.77 3.20 0.00 3.22 1.43 -0.92 -4.89 118.68 117.94 2yub s LEU 81 Ca -0.00 1.57 -0.03 0.00 -1.03 0.00 0.00 54.13 54.64 2yub s LEU 81 Cb 0.02 -4.49 0.04 0.00 0.03 0.00 0.00 46.19 41.80 2yub s LEU 81 CO 0.13 -1.23 0.12 0.54 0.23 0.00 0.00 176.35 176.14 2yub n ARG 82 N -2.91 -1.98 -0.00 1.70 5.12 -1.26 -2.23 116.66 115.10 2yub n ARG 82 Ca 0.07 -0.19 -0.15 0.00 -1.93 0.00 0.00 57.85 55.65 2yub n ARG 82 Cb 0.54 -0.22 -0.14 0.00 -1.16 0.00 0.00 32.46 31.47 2yub n ARG 82 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2yub h VAL 83 N -2.01 0.78 0.00 1.55 2.07 -1.89 -3.28 116.25 113.46 2yub h VAL 83 Ca -0.05 -2.56 -0.10 0.00 0.82 0.00 0.00 66.70 64.80 2yub h VAL 83 Cb 0.16 2.49 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2yub h VAL 83 CO 0.03 0.69 -0.50 1.05 0.02 0.00 0.00 177.57 178.87 2yub h GLU 84 N 0.04 0.00 -0.29 1.57 9.09 -1.93 -3.23 114.58 119.83 2yub h GLU 84 Ca -0.34 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 58.89 2yub h GLU 84 Cb 2.02 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 29.12 2yub h GLU 84 CO 0.09 0.50 -0.54 1.49 0.05 0.00 0.00 179.01 180.60 2yub h GLU 85 N 0.00 0.86 0.00 1.06 4.22 -1.94 0.13 114.58 118.91 2yub h GLU 85 Ca -0.00 -0.54 -0.04 0.00 0.08 0.00 0.00 59.36 58.85 2yub h GLU 85 Cb 1.36 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 2yub h GLU 85 CO 0.06 1.17 -0.21 0.28 -2.18 0.00 0.00 179.01 178.14 2yub h VAL 86 N 0.66 0.65 0.06 0.32 2.07 -1.63 -2.72 116.25 115.65 2yub h VAL 86 Ca 0.02 -0.92 -0.28 0.00 0.82 0.00 0.00 66.70 66.33 2yub h VAL 86 Cb 1.15 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.49 2yub h VAL 86 CO 0.12 0.20 -1.53 -0.33 0.02 0.00 0.00 177.57 176.05 2yub h GLU 87 N 0.00 0.12 -0.36 1.57 4.39 -1.54 -3.39 114.58 115.38 2yub h GLU 87 Ca -0.00 -0.21 0.08 0.00 0.34 0.00 0.00 59.36 59.56 2yub h GLU 87 Cb 0.58 0.08 -0.08 0.00 -0.10 0.00 0.00 28.75 29.23 2yub h GLU 87 CO 0.03 1.10 -0.14 0.22 -1.16 0.00 0.00 179.01 179.05 2yub h ASP 88 N -0.54 -0.50 -1.43 1.42 3.58 -0.72 -0.35 116.42 117.89 2yub h ASP 88 Ca -0.37 0.13 0.48 0.00 0.42 0.00 0.00 57.03 57.69 2yub h ASP 88 Cb 1.62 0.29 -0.13 0.00 1.72 0.00 0.00 39.33 42.82 2yub h ASP 88 CO -0.07 -0.18 0.94 0.00 -2.88 0.00 0.00 179.24 177.05 2yub n ALA 89 N -2.75 1.41 0.07 -0.78 0.00 -1.03 0.19 120.51 117.63 2yub n ALA 89 Ca 0.01 0.83 -0.16 0.00 0.00 0.00 0.00 53.44 54.13 2yub n ALA 89 Cb 0.24 -1.06 -0.14 0.00 0.00 0.00 0.00 19.45 18.50 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 1.22 -0.63 0.00 1.08 -1.28 -3.33 117.51 114.56 2yub h ILE 90 Ca 0.88 -2.85 -0.09 0.00 -0.39 0.00 0.00 64.86 62.41 2yub h ILE 90 Cb 2.91 2.78 -0.02 0.00 -3.07 0.00 0.00 36.82 39.42 2yub h ILE 90 CO -0.41 0.83 0.06 0.11 -0.69 0.00 0.00 178.15 178.05 2yub h LYS 91 N 0.07 1.07 -6.21 2.37 1.57 0.27 -3.42 116.57 112.28 2yub h LYS 91 Ca -0.22 -0.31 -0.56 0.00 -1.87 0.00 0.00 60.65 57.69 2yub h LYS 91 Cb 2.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.20 2yub h LYS 91 CO 0.17 1.01 1.29 1.14 -0.57 0.00 0.00 179.45 182.49 2yub s GLN 92 N -5.13 3.73 -0.50 3.15 -2.07 0.62 -4.90 119.66 114.55 2yub s GLN 92 Ca -0.12 2.19 0.08 0.00 -1.82 0.00 0.00 55.36 55.68 2yub s GLN 92 Cb 0.14 -4.20 0.31 0.00 -1.09 0.00 0.00 33.01 28.17 2yub s GLN 92 CO 0.85 -1.41 0.77 0.25 -1.32 0.00 0.00 175.29 174.43 2yub n THR 93 N 6.47 1.39 0.00 3.63 -2.24 -1.26 -4.78 114.28 117.48 2yub n THR 93 Ca 0.23 -4.96 0.00 0.00 -2.27 0.00 0.00 64.05 57.05 2yub n THR 93 Cb 0.43 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.32 2yub n THR 93 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2yub n SER 94 N 0.43 2.62 -3.63 3.42 3.41 -1.26 -4.03 113.62 114.58 2yub n SER 94 Ca 0.27 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.68 2yub n SER 94 Cb 0.49 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.56 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2yub n GLN 95 N -1.65 1.07 -1.93 4.33 3.00 -1.26 -4.58 117.38 116.37 2yub n GLN 95 Ca 0.00 -2.44 -0.41 0.00 -0.01 0.00 0.00 57.00 54.14 2yub n GLN 95 Cb 0.29 0.79 -0.02 0.00 0.00 0.00 0.00 30.24 31.30 2yub n GLN 95 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2yub s THR 96 N -2.30 2.39 -0.35 5.09 -4.23 -1.26 -2.50 115.64 112.48 2yub s THR 96 Ca 0.03 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.87 2yub s THR 96 Cb 0.00 -3.23 0.07 0.00 1.34 0.00 0.00 72.50 70.69 2yub s THR 96 CO 0.02 0.07 0.09 -0.22 -0.54 0.00 0.00 174.62 174.04 2yub s LEU 97 N -1.13 4.47 0.09 4.79 2.96 0.93 -4.90 118.68 125.89 2yub s LEU 97 Ca 0.56 -1.55 -0.15 0.00 -0.22 0.00 0.00 54.13 52.77 2yub s LEU 97 Cb -0.44 -1.77 -0.06 0.00 0.50 0.00 0.00 46.19 44.41 2yub s LEU 97 CO 0.51 -0.38 0.51 -1.58 -1.32 0.00 0.00 176.35 174.10 2yub s GLN 98 N 1.22 4.01 0.03 1.98 0.74 -1.26 -3.53 119.66 122.86 2yub s GLN 98 Ca 0.01 0.52 0.02 0.00 0.05 0.00 0.00 55.36 55.95 2yub s GLN 98 Cb -0.21 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.80 2yub s GLN 98 CO -0.02 0.57 -0.07 -0.51 -0.55 0.00 0.00 175.29 174.72 2yub s LEU 99 N -1.53 2.22 -0.21 3.68 1.43 -0.85 -0.98 118.68 122.44 2yub s LEU 99 Ca 0.32 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 2yub s LEU 99 Cb -0.17 -0.15 0.03 0.00 0.03 0.00 0.00 46.19 45.93 2yub s LEU 99 CO 0.18 -0.17 -0.17 -0.22 0.23 0.00 0.00 176.35 176.20 2yub s LEU 100 N -1.34 2.56 0.03 1.79 2.96 -0.82 -1.70 118.68 122.16 2yub s LEU 100 Ca -0.09 -0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 52.94 2yub s LEU 100 Cb -0.09 -1.51 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 2yub s LEU 100 CO 0.00 -0.06 0.16 -0.63 -1.32 0.00 0.00 176.35 174.50 2yub s ILE 101 N 1.24 5.17 -0.19 6.68 -1.09 0.40 -1.48 121.20 131.93 2yub s ILE 101 Ca 0.01 -0.37 -0.09 0.00 -2.23 0.00 0.00 60.65 57.97 2yub s ILE 101 Cb -0.15 -3.46 -0.05 0.00 -1.58 0.00 0.00 42.46 37.22 2yub s ILE 101 CO -0.10 0.24 0.10 -0.70 -1.23 0.00 0.00 174.94 173.25 2yub s GLU 102 N -2.16 4.06 -0.11 2.79 2.12 -1.00 -1.42 118.70 122.97 2yub s GLU 102 Ca 0.29 -0.26 0.03 0.00 0.36 0.00 0.00 54.97 55.39 2yub s GLU 102 Cb -0.13 -3.33 -0.00 0.00 0.26 0.00 0.00 34.13 30.93 2yub s GLU 102 CO 0.22 0.32 -0.20 -1.58 -0.54 0.00 0.00 175.26 173.47 2yub s HIS 103 N 0.27 2.65 0.06 5.30 2.46 -0.21 -4.73 115.29 121.10 2yub s HIS 103 Ca 0.07 -0.97 0.06 0.00 0.47 0.00 0.00 55.06 54.69 2yub s HIS 103 Cb -0.12 -1.77 -0.03 0.00 -0.13 0.00 0.00 32.58 30.54 2yub s HIS 103 CO -0.01 -0.38 -0.17 0.16 -2.47 0.00 0.00 174.74 171.87 2yub s ASP 104 N 0.41 2.02 0.51 9.88 1.47 -1.26 -2.87 116.67 126.83 2yub s ASP 104 Ca -0.15 -0.57 0.33 0.00 1.18 0.00 0.00 52.55 53.34 2yub s ASP 104 Cb -0.17 -0.11 1.36 0.00 -0.34 0.00 0.00 42.92 43.65 2yub s ASP 104 CO 0.07 0.03 1.96 1.55 0.68 0.00 0.00 175.17 179.46 2yub h PRO 105 N 4.52 0.00 -4.97 2.11 0.13 -1.97 -3.48 132.00 128.34 2yub h PRO 105 Ca -0.42 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 2yub h PRO 105 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2yub h PRO 105 CO 0.42 0.00 -0.79 1.55 -0.23 0.00 0.00 178.00 178.95 2yub n VAL 106 N -2.96 -2.18 -0.77 1.56 3.14 -1.26 -4.92 118.33 110.93 2yub n VAL 106 Ca 0.01 0.15 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 2yub n VAL 106 Cb 0.28 -2.27 0.13 0.00 -1.06 0.00 0.00 33.84 30.92 2yub n VAL 106 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 2yub n PRO 107 N 0.28 -2.12 -2.97 1.45 -0.04 -1.26 -5.06 135.00 125.28 2yub n PRO 107 Ca -0.04 -0.89 -0.20 0.00 -0.04 0.00 0.00 63.50 62.32 2yub n PRO 107 Cb 0.43 -0.84 0.02 0.00 -0.04 0.00 0.00 33.50 33.06 2yub n PRO 107 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 2yub s GLN 108 N -4.27 2.86 -0.29 0.54 1.11 -1.26 -5.12 119.66 113.23 2yub s GLN 108 Ca 0.36 -0.82 -0.15 0.00 0.01 0.00 0.00 55.36 54.76 2yub s GLN 108 Cb -0.04 -2.62 0.15 0.00 -1.01 0.00 0.00 33.01 29.50 2yub s GLN 108 CO 0.28 -0.36 0.97 -0.98 0.01 0.00 0.00 175.29 175.21 2yub s ARG 109 N -4.51 0.35 -0.14 2.91 1.70 -1.26 -5.13 118.95 112.86 2yub s ARG 109 Ca 0.52 0.71 -0.29 0.00 -0.47 0.00 0.00 55.73 56.20 2yub s ARG 109 Cb -0.10 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 34.50 2yub s ARG 109 CO 0.36 -0.09 1.53 -1.17 -1.08 0.00 0.00 175.30 174.85 2yub s LEU 110 N 1.84 4.14 0.29 -1.89 1.98 -1.26 -4.95 118.68 118.83 2yub s LEU 110 Ca -0.06 1.87 -0.29 0.00 -2.89 0.00 0.00 54.13 52.76 2yub s LEU 110 Cb -0.05 -3.53 -0.13 0.00 0.66 0.00 0.00 46.19 43.13 2yub s LEU 110 CO -0.16 -0.99 1.19 -0.67 -1.89 0.00 0.00 176.35 173.83 2yub n ASP 111 N 7.43 2.10 -0.75 3.68 2.03 -1.26 -4.91 116.55 124.87 2yub n ASP 111 Ca 0.17 1.18 0.03 0.00 0.52 0.00 0.00 54.79 56.69 2yub n ASP 111 Cb 0.44 -1.38 0.20 0.00 -0.72 0.00 0.00 41.12 39.66 2yub n ASP 111 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2yub n GLN 112 N 0.97 1.70 -0.28 -0.67 0.00 -1.26 -5.06 117.38 112.78 2yub n GLN 112 Ca 0.09 -3.32 0.00 0.00 0.00 0.00 0.00 57.00 53.77 2yub n GLN 112 Cb 0.33 -1.68 0.00 0.00 0.00 0.00 0.00 30.24 28.89 2yub n GLN 112 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2yub n SER 113 N -1.11 -2.99 0.00 2.61 2.88 -1.26 -4.99 113.62 108.77 2yub n SER 113 Ca 0.22 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 2yub n SER 113 Cb 0.76 0.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 -0.44 -1.65 3.62 0.46 0.00 -1.26 -4.90 105.19 101.02 2yub n GLY 114 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.59 -1.07 1.61 0.04 -1.26 -4.97 135.00 128.75 2yub s PRO 115 Ca 0.00 0.17 -0.06 0.00 0.04 0.00 0.00 61.00 61.15 2yub s PRO 115 Cb 0.00 -1.65 0.28 0.00 0.04 0.00 0.00 34.50 33.17 2yub s PRO 115 CO 0.00 -3.34 1.20 0.43 0.04 0.00 0.00 177.00 175.33 2yub n SER 116 N -4.54 5.65 -3.97 6.66 7.64 -1.26 -4.92 113.62 118.87 2yub n SER 116 Ca 0.10 -3.19 -0.31 0.00 1.01 0.00 0.00 58.87 56.48 2yub n SER 116 Cb 0.59 -1.29 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 2yub n SER 116 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yub s SER 117 N -0.03 5.23 0.00 6.43 0.15 -1.26 -5.29 113.70 118.92 2yub s SER 117 Ca 0.31 -3.83 0.00 0.00 0.70 0.00 0.00 55.95 53.13 2yub s SER 117 Cb -0.04 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.54 2yub s SER 117 CO -0.02 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.92