#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 -2.44 -4.77 1.61 7.64 -1.26 -5.14 113.62 109.25 2yub n SER 2 Ca 0.00 -3.26 -0.40 0.00 1.01 0.00 0.00 58.87 56.22 2yub n SER 2 Cb 0.00 1.75 0.00 0.00 -1.01 0.00 0.00 64.21 64.95 2yub n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yub s SER 3 N -1.31 6.27 0.00 6.43 1.04 -1.26 -4.97 113.70 119.90 2yub s SER 3 Ca 0.27 2.94 0.00 0.00 0.48 0.00 0.00 55.95 59.63 2yub s SER 3 Cb 0.26 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.72 2yub s SER 3 CO -0.15 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.77 2yub n GLY 4 N 0.55 2.30 3.34 7.32 0.00 -1.26 -5.03 105.19 112.41 2yub n GLY 4 Ca 0.02 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.62 2yub n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2yub n SER 5 N 0.00 -2.12 -1.19 1.61 2.88 -1.26 -4.96 113.62 108.57 2yub n SER 5 Ca 0.00 -0.59 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 2yub n SER 5 Cb 0.00 -4.94 0.00 0.00 -0.75 0.00 0.00 64.21 58.52 2yub n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2yub n SER 6 N -3.04 -0.09 0.00 -3.46 3.41 -1.26 -5.16 113.62 104.02 2yub n SER 6 Ca -0.27 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.31 2yub n SER 6 Cb 0.66 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.75 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 -0.06 0.47 0.98 5.00 0.00 -1.26 -5.08 105.19 105.23 2yub n GLY 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.53 1.61 0.24 -1.26 -5.08 118.33 113.31 2yub n VAL 8 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.02 2yub n VAL 8 Cb 0.00 -1.18 0.25 0.00 -1.47 0.00 0.00 33.84 31.44 2yub n VAL 8 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2yub s GLN 9 N -1.97 -0.87 -0.79 7.34 -0.44 -1.26 -4.96 119.66 116.71 2yub s GLN 9 Ca 0.00 0.91 -0.10 0.00 -2.50 0.00 0.00 55.36 53.67 2yub s GLN 9 Cb 0.00 -1.55 0.21 0.00 -1.64 0.00 0.00 33.01 30.02 2yub s GLN 9 CO 0.00 -3.71 0.69 -0.51 0.50 0.00 0.00 175.29 172.26 2yub s ASP 10 N -2.49 6.29 -0.12 6.67 1.01 -1.26 -5.03 116.67 121.74 2yub s ASP 10 Ca 0.68 -2.87 -0.30 0.00 0.71 0.00 0.00 52.55 50.78 2yub s ASP 10 Cb -0.25 -2.08 -0.07 0.00 1.01 0.00 0.00 42.92 41.52 2yub s ASP 10 CO 0.64 -0.47 2.10 0.00 0.21 0.00 0.00 175.17 177.66 2yub n GLN 11 N 3.63 2.29 -3.64 8.23 6.02 -1.26 -4.90 117.38 127.75 2yub n GLN 11 Ca 0.13 0.74 -0.02 0.00 -0.01 0.00 0.00 57.00 57.84 2yub n GLN 11 Cb 0.43 -3.07 -0.04 0.00 1.02 0.00 0.00 30.24 28.58 2yub n GLN 11 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2yub s LEU 12 N 6.49 -0.05 0.24 1.08 0.05 -1.26 -5.15 118.68 120.08 2yub s LEU 12 Ca 0.96 0.05 -0.30 0.00 0.05 0.00 0.00 54.13 54.90 2yub s LEU 12 Cb -0.42 1.11 -0.09 0.00 -2.05 0.00 0.00 46.19 44.74 2yub s LEU 12 CO 0.40 -0.05 1.28 -2.16 -0.55 0.00 0.00 176.35 175.27 2yub s PRO 13 N -1.04 4.42 0.25 1.48 0.04 -1.26 -4.72 135.00 134.17 2yub s PRO 13 Ca 0.09 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2yub s PRO 13 Cb -0.01 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2yub s PRO 13 CO -0.08 -0.17 0.00 0.98 0.04 0.00 0.00 177.00 177.78 2yub n TYR 14 N 2.02 -2.99 -4.23 0.56 9.36 -1.26 -5.07 117.16 115.55 2yub n TYR 14 Ca 0.04 1.56 -0.13 0.00 3.32 0.00 0.00 57.90 62.68 2yub n TYR 14 Cb 0.43 -2.84 -0.10 0.00 -0.63 0.00 0.00 39.34 36.20 2yub n TYR 14 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2yub s SER 15 N -1.77 1.62 0.02 2.98 0.15 -1.20 -5.07 113.70 110.43 2yub s SER 15 Ca 0.00 -0.99 0.03 0.00 0.70 0.00 0.00 55.95 55.69 2yub s SER 15 Cb 0.00 0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2yub s SER 15 CO 0.00 -0.35 -0.10 -0.69 1.20 0.00 0.00 173.24 173.30 2yub s VAL 16 N -3.30 0.73 0.21 4.45 1.01 -1.26 -1.59 120.40 120.65 2yub s VAL 16 Ca 0.14 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2yub s VAL 16 Cb 0.03 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 2yub s VAL 16 CO -0.01 0.00 -0.15 -0.89 0.00 0.00 0.00 175.10 174.05 2yub s THR 17 N -0.63 2.81 0.06 3.92 2.01 -0.85 -4.96 115.64 117.99 2yub s THR 17 Ca -0.00 -1.92 0.02 0.00 0.31 0.00 0.00 61.69 60.10 2yub s THR 17 Cb -0.06 -2.40 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 2yub s THR 17 CO 0.00 -0.17 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.46 2yub s LEU 18 N -2.93 2.31 -0.04 4.42 2.96 -1.26 -1.65 118.68 122.48 2yub s LEU 18 Ca 0.25 -0.65 -0.02 0.00 -0.22 0.00 0.00 54.13 53.49 2yub s LEU 18 Cb -0.08 -0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.49 2yub s LEU 18 CO 0.14 -0.26 0.05 0.27 -1.32 0.00 0.00 176.35 175.23 2yub s ILE 19 N -1.86 -0.02 -0.40 6.68 -0.00 -1.01 -4.99 121.20 119.59 2yub s ILE 19 Ca -0.05 0.36 -0.03 0.00 -0.00 0.00 0.00 60.65 60.94 2yub s ILE 19 Cb -0.07 -0.21 0.11 0.00 -0.00 0.00 0.00 42.46 42.29 2yub s ILE 19 CO -0.01 0.19 0.19 -0.94 -0.00 0.00 0.00 174.94 174.37 2yub s SER 20 N 2.05 5.23 0.03 4.36 1.04 -1.26 -1.84 113.70 123.31 2yub s SER 20 Ca 0.04 -2.02 0.08 0.00 0.48 0.00 0.00 55.95 54.53 2yub s SER 20 Cb -0.12 -1.82 -0.03 0.00 0.10 0.00 0.00 66.02 64.15 2yub s SER 20 CO -0.03 -0.53 -0.21 -0.04 0.98 0.00 0.00 173.24 173.40 2yub s MET 21 N 1.13 2.01 1.06 4.02 -1.94 -1.22 -5.02 119.30 119.33 2yub s MET 21 Ca 0.08 -1.00 -0.14 0.00 -1.71 0.00 0.00 55.69 52.92 2yub s MET 21 Cb -0.23 -2.12 0.22 0.00 2.01 0.00 0.00 34.83 34.72 2yub s MET 21 CO -0.04 0.54 1.10 -1.25 -0.01 0.00 0.00 175.02 175.35 2yub s PRO 22 N -1.26 -0.03 0.00 2.03 0.04 -1.26 -0.28 135.00 134.23 2yub s PRO 22 Ca 0.13 0.37 0.00 0.00 0.04 0.00 0.00 61.00 61.54 2yub s PRO 22 Cb -0.10 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.74 2yub s PRO 22 CO 0.03 -3.01 0.00 0.00 0.04 0.00 0.00 177.00 174.06 2yub n ALA 23 N -4.34 0.00 -1.86 8.56 0.00 -1.07 -4.39 120.51 117.41 2yub n ALA 23 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2yub n ALA 23 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -1.39 0.00 -3.39 0.00 -2.24 0.26 -4.97 114.28 102.55 2yub n THR 24 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2yub n THR 24 Cb 0.00 0.36 0.03 0.00 -2.10 0.00 0.00 70.33 68.62 2yub n THR 24 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2yub n THR 25 N 0.00 -3.32 -2.71 4.28 -1.04 0.40 -3.38 114.28 108.51 2yub n THR 25 Ca 0.00 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 2yub n THR 25 Cb 0.59 -3.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.08 2yub n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2yub n GLU 26 N -0.76 -0.22 -1.00 -2.82 -0.58 -1.16 -4.93 120.64 109.17 2yub n GLU 26 Ca -0.14 0.63 -0.03 0.00 -0.42 0.00 0.00 57.16 57.21 2yub n GLU 26 Cb 0.63 -0.80 -0.03 0.00 -0.57 0.00 0.00 31.44 30.67 2yub n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yub n ARG 28 N 0.12 -1.08 -2.77 0.00 0.63 -1.26 -4.98 116.66 107.32 2yub n ARG 28 Ca -0.13 0.85 -0.27 0.00 -0.92 0.00 0.00 57.85 57.38 2yub n ARG 28 Cb 0.77 -1.09 -0.00 0.00 0.45 0.00 0.00 32.46 32.59 2yub n ARG 28 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2yub s ARG 29 N -4.18 3.53 0.00 -0.14 3.00 -1.26 -5.00 118.95 114.90 2yub s ARG 29 Ca 0.00 0.11 0.20 0.00 0.00 0.00 0.00 55.73 56.04 2yub s ARG 29 Cb 0.00 -2.43 0.13 0.00 0.00 0.00 0.00 34.95 32.65 2yub s ARG 29 CO 0.00 -0.14 1.11 0.41 0.00 0.00 0.00 175.30 176.68 2yub n GLY 30 N -2.17 0.50 3.49 -3.53 0.00 -1.26 -4.94 105.19 97.29 2yub n GLY 30 Ca -0.00 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.79 -0.80 -0.02 1.61 -0.71 -1.26 -0.95 117.98 114.06 2yub s PHE 31 Ca 0.22 1.73 -0.05 0.00 -1.04 0.00 0.00 56.93 57.79 2yub s PHE 31 Cb 0.17 0.40 -0.04 0.00 -1.21 0.00 0.00 43.02 42.33 2yub s PHE 31 CO 0.30 -0.41 0.21 -1.12 -1.34 0.00 0.00 175.22 172.86 2yub s SER 32 N 1.12 6.42 0.43 1.98 0.01 -1.09 -5.00 113.70 117.56 2yub s SER 32 Ca -0.06 0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.70 2yub s SER 32 Cb -0.06 -2.04 -0.06 0.00 0.21 0.00 0.00 66.02 64.07 2yub s SER 32 CO -0.11 0.28 0.05 0.68 0.41 0.00 0.00 173.24 174.55 2yub s VAL 33 N -1.28 1.94 -0.09 3.43 -7.23 -1.26 -2.18 120.40 113.73 2yub s VAL 33 Ca 0.26 -1.93 0.01 0.00 -1.81 0.00 0.00 61.98 58.51 2yub s VAL 33 Cb -0.13 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.96 2yub s VAL 33 CO 0.16 0.00 -0.11 -0.89 -0.31 0.00 0.00 175.10 173.94 2yub s THR 34 N -2.71 1.19 -0.29 5.32 2.01 0.22 -4.64 115.64 116.73 2yub s THR 34 Ca 0.32 -0.45 -0.02 0.00 0.31 0.00 0.00 61.69 61.85 2yub s THR 34 Cb 0.07 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.50 2yub s THR 34 CO 0.17 0.38 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.78 2yub s VAL 35 N 1.11 3.04 -0.13 3.82 1.01 -1.26 -1.33 120.40 126.67 2yub s VAL 35 Ca -0.06 -1.25 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 2yub s VAL 35 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 2yub s VAL 35 CO -0.02 -0.02 0.01 -1.61 0.00 0.00 0.00 175.10 173.46 2yub s GLU 36 N 1.29 3.41 0.07 2.72 0.41 -0.90 -5.02 118.70 120.67 2yub s GLU 36 Ca -0.03 -0.41 0.08 0.00 -0.41 0.00 0.00 54.97 54.20 2yub s GLU 36 Cb -0.19 -2.94 -0.03 0.00 -1.78 0.00 0.00 34.13 29.19 2yub s GLU 36 CO -0.02 0.49 -0.21 -1.54 -0.49 0.00 0.00 175.26 173.50 2yub s SER 37 N -0.30 2.53 0.00 -0.19 1.04 -1.26 -2.72 113.70 112.80 2yub s SER 37 Ca 0.07 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2yub s SER 37 Cb -0.12 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2yub s SER 37 CO 0.02 0.13 0.20 0.00 0.98 0.00 0.00 173.24 174.56 2yub n ALA 38 N 1.55 -0.04 -1.98 5.32 0.00 -1.26 -4.90 120.51 119.21 2yub n ALA 38 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.20 2yub n ALA 38 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.86 -0.81 0.00 0.00 7.64 -1.26 -5.13 113.62 113.19 2yub n SER 39 Ca 0.00 -1.77 0.00 0.00 1.01 0.00 0.00 58.87 58.11 2yub n SER 39 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 2yub n SER 39 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yub n SER 40 N 0.00 0.22 0.00 6.43 7.64 -1.26 -5.06 113.62 121.59 2yub n SER 40 Ca -0.23 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.65 2yub n SER 40 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2yub n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2yub n ASN 41 N 0.00 0.73 -4.24 6.43 5.15 -1.26 -5.01 115.26 117.07 2yub n ASN 41 Ca 0.00 -0.87 -0.30 0.00 -0.60 0.00 0.00 54.58 52.81 2yub n ASN 41 Cb 0.00 0.25 -0.16 0.00 -0.53 0.00 0.00 39.78 39.33 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 -0.25 2.28 1.05 1.20 1.13 -1.26 -3.70 117.35 117.80 2yub s TYR 42 Ca 0.00 -0.68 -0.20 0.00 -1.41 0.00 0.00 57.07 54.78 2yub s TYR 42 Cb 0.00 -1.50 -0.01 0.00 -1.10 0.00 0.00 41.96 39.35 2yub s TYR 42 CO 0.00 -0.21 -0.42 0.00 -2.51 0.00 0.00 175.55 172.41 2yub n ALA 43 N 3.00 -4.49 0.00 9.51 0.00 -0.56 -4.84 120.51 123.13 2yub n ALA 43 Ca -0.18 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2yub n ALA 43 Cb 0.52 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2yub n ALA 43 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2yub n THR 44 N -3.86 0.00 -4.70 0.00 -2.24 -1.20 -3.88 114.28 98.39 2yub n THR 44 Ca 0.01 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.54 2yub n THR 44 Cb 0.64 -0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.58 1.52 -0.12 4.28 2.01 -1.10 -4.49 115.64 116.16 2yub s THR 45 Ca 0.00 -1.02 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 2yub s THR 45 Cb 0.00 -1.31 0.04 0.00 0.01 0.00 0.00 72.50 71.24 2yub s THR 45 CO 0.00 0.26 0.02 -0.69 -0.69 0.00 0.00 174.62 173.52 2yub s VAL 46 N -0.67 0.40 -0.02 3.82 1.01 -1.26 -2.13 120.40 121.55 2yub s VAL 46 Ca 0.07 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2yub s VAL 46 Cb -0.08 -0.70 -0.01 0.00 0.00 0.00 0.00 36.38 35.58 2yub s VAL 46 CO 0.01 0.07 -0.19 0.00 0.00 0.00 0.00 175.10 174.99 2yub s GLN 47 N 1.95 1.61 -0.41 2.72 -2.07 -0.44 -2.67 119.66 120.35 2yub s GLN 47 Ca 0.03 -0.68 -0.29 0.00 -1.82 0.00 0.00 55.36 52.60 2yub s GLN 47 Cb -0.14 -1.52 0.02 0.00 -1.09 0.00 0.00 33.01 30.27 2yub s GLN 47 CO -0.06 0.39 1.28 0.08 -1.32 0.00 0.00 175.29 175.65 2yub s VAL 48 N -0.37 4.08 0.00 3.63 1.01 -0.44 0.69 120.40 129.01 2yub s VAL 48 Ca 0.05 1.13 -0.07 0.00 0.00 0.00 0.00 61.98 63.10 2yub s VAL 48 Cb -0.08 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2yub s VAL 48 CO -0.00 -0.78 0.84 0.50 0.00 0.00 0.00 175.10 175.66 2yub h LYS 49 N 9.82 -0.24 -4.99 2.72 3.64 -1.70 -2.62 116.57 123.20 2yub h LYS 49 Ca -0.25 0.02 -0.41 0.00 -1.27 0.00 0.00 60.65 58.73 2yub h LYS 49 Cb 1.09 0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.82 2yub h LYS 49 CO 1.09 -0.16 -0.59 -1.21 -2.27 0.00 0.00 179.45 176.30 2yub s GLU 50 N -3.06 1.56 -0.21 1.90 0.41 -1.13 -4.46 118.70 113.72 2yub s GLU 50 Ca -0.04 -1.87 -0.13 0.00 -0.41 0.00 0.00 54.97 52.52 2yub s GLU 50 Cb 0.00 -0.43 0.06 0.00 -1.78 0.00 0.00 34.13 31.99 2yub s GLU 50 CO 0.11 -0.31 0.52 0.08 -0.49 0.00 0.00 175.26 175.17 2yub s VAL 51 N -3.55 -0.01 -0.22 2.63 1.01 -1.26 -2.67 120.40 116.32 2yub s VAL 51 Ca 0.36 0.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.31 2yub s VAL 51 Cb 0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 2yub s VAL 51 CO 0.15 0.02 0.06 0.54 0.00 0.00 0.00 175.10 175.87 2yub s ASN 52 N 1.30 5.24 0.23 3.32 4.22 -0.12 -4.92 114.94 124.22 2yub s ASN 52 Ca -0.08 -0.11 0.17 0.00 -2.14 0.00 0.00 52.86 50.69 2yub s ASN 52 Cb -0.07 -1.92 0.03 0.00 1.28 0.00 0.00 41.25 40.57 2yub s ASN 52 CO -0.13 0.05 1.25 0.03 -2.04 0.00 0.00 177.10 176.26 2yub h ARG 53 N 7.62 0.00 -0.54 3.55 -0.00 -1.85 -3.08 114.38 120.08 2yub h ARG 53 Ca -0.37 0.00 0.16 0.00 -0.50 0.00 0.00 59.98 59.27 2yub h ARG 53 Cb 1.18 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 31.12 2yub h ARG 53 CO 0.62 0.35 0.67 1.98 0.00 0.00 0.00 179.97 183.59 2yub h MET 54 N 0.00 0.00 0.00 0.04 4.05 -1.94 -1.83 114.93 115.24 2yub h MET 54 Ca -0.05 0.00 -0.18 0.00 -0.28 0.00 0.00 59.70 59.19 2yub h MET 54 Cb 1.37 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 32.14 2yub h MET 54 CO 0.05 0.00 -1.68 0.72 0.23 0.00 0.00 176.91 176.23 2yub n HIS 55 N -3.47 0.00 -2.48 1.39 8.25 -1.24 -5.00 115.22 112.66 2yub n HIS 55 Ca 0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.16 2yub n HIS 55 Cb 0.87 -0.47 -0.04 0.00 1.12 0.00 0.00 29.99 31.47 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 -2.24 3.70 0.91 1.59 1.01 -0.69 -5.03 121.20 120.45 2yub s ILE 56 Ca -0.14 1.54 -0.12 0.00 0.00 0.00 0.00 60.65 61.93 2yub s ILE 56 Cb 0.04 -3.98 0.14 0.00 0.01 0.00 0.00 42.46 38.67 2yub s ILE 56 CO 0.30 0.30 1.09 -0.44 0.00 0.00 0.00 174.94 176.19 2yub s SER 57 N -0.33 3.37 0.00 3.58 0.01 -1.26 -4.72 113.70 114.34 2yub s SER 57 Ca 0.48 1.40 0.16 0.00 1.31 0.00 0.00 55.95 59.30 2yub s SER 57 Cb -0.31 -2.08 0.92 0.00 0.21 0.00 0.00 66.02 64.77 2yub s SER 57 CO 0.37 -2.69 1.35 -0.81 0.41 0.00 0.00 173.24 171.86 2yub n PRO 58 N -3.91 0.47 -0.12 12.44 -0.04 -1.26 -2.16 135.00 140.43 2yub n PRO 58 Ca 0.07 0.01 -0.16 0.00 -0.04 0.00 0.00 63.50 63.37 2yub n PRO 58 Cb 0.56 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.39 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 -1.01 1.58 0.14 3.54 3.02 -1.26 -4.27 115.26 116.99 2yub n ASN 59 Ca 0.11 -0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.61 2yub n ASN 59 Cb 0.06 -0.14 0.04 0.00 -0.61 0.00 0.00 39.78 39.12 2yub n ASN 59 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2yub h ASN 60 N 0.00 0.00 0.92 6.41 2.35 -1.86 -3.18 115.58 120.22 2yub h ASN 60 Ca -0.56 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.19 2yub h ASN 60 Cb 1.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.35 2yub h ASN 60 CO -0.06 0.42 0.00 -2.11 -1.65 0.00 0.00 177.43 174.03 2yub n ARG 61 N -3.16 0.18 0.06 0.81 1.85 -0.92 -1.51 116.66 113.97 2yub n ARG 61 Ca 0.01 0.32 -0.00 0.00 -1.00 0.00 0.00 57.85 57.18 2yub n ARG 61 Cb 0.71 -1.79 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 2yub n ARG 61 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 2yub h ASN 62 N 0.00 0.00 0.00 2.89 -0.26 -1.73 -3.39 115.58 113.09 2yub h ASN 62 Ca 0.00 0.00 -0.23 0.00 -0.56 0.00 0.00 56.30 55.51 2yub h ASN 62 Cb 0.46 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.69 2yub h ASN 62 CO 0.00 0.61 -1.34 0.00 -1.06 0.00 0.00 177.43 175.64 2yub n ALA 63 N -2.35 0.80 -1.97 -0.83 0.00 -1.07 -4.98 120.51 110.10 2yub n ALA 63 Ca -0.06 -0.59 -0.22 0.00 0.00 0.00 0.00 53.44 52.57 2yub n ALA 63 Cb 0.83 -0.34 0.05 0.00 0.00 0.00 0.00 19.45 20.00 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 -2.39 2.52 0.00 0.00 2.07 -0.57 -4.92 121.20 117.91 2yub s ILE 64 Ca -0.28 -0.59 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 2yub s ILE 64 Cb 0.07 -2.93 0.00 0.00 0.13 0.00 0.00 42.46 39.73 2yub s ILE 64 CO 0.51 0.00 0.00 1.41 -1.91 0.00 0.00 174.94 174.95 2yub n HIS 65 N -2.52 0.00 -2.12 3.50 8.25 -1.26 -4.64 115.22 116.43 2yub n HIS 65 Ca 0.09 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.12 2yub n HIS 65 Cb 0.60 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.68 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 3.84 0.00 -0.41 0.04 -1.26 -2.97 135.00 132.24 2yub s PRO 66 Ca 0.00 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.74 2yub s PRO 66 Cb 0.00 -4.02 0.00 0.00 0.04 0.00 0.00 34.50 30.52 2yub s PRO 66 CO 0.00 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.21 2yub n GLY 67 N 4.57 1.19 4.00 0.56 0.00 -0.99 -5.04 105.19 109.49 2yub n GLY 67 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.81 5.08 -0.07 1.61 1.01 -1.16 -4.92 116.67 117.41 2yub s ASP 68 Ca 0.00 -0.87 0.00 0.00 0.71 0.00 0.00 52.55 52.39 2yub s ASP 68 Cb 0.00 0.18 0.02 0.00 1.01 0.00 0.00 42.92 44.13 2yub s ASP 68 CO 0.00 -1.21 -0.05 -0.13 0.21 0.00 0.00 175.17 173.99 2yub s ARG 69 N -4.54 1.04 0.01 8.23 3.00 -1.26 -1.32 118.95 124.11 2yub s ARG 69 Ca 0.56 -0.11 -0.30 0.00 0.00 0.00 0.00 55.73 55.87 2yub s ARG 69 Cb -0.05 -1.14 -0.05 0.00 0.00 0.00 0.00 34.95 33.71 2yub s ARG 69 CO 0.35 -0.18 1.20 0.42 0.00 0.00 0.00 175.30 177.08 2yub s ILE 70 N 1.40 4.15 0.04 1.52 1.01 -1.09 -4.00 121.20 124.22 2yub s ILE 70 Ca -0.03 1.52 0.01 0.00 0.00 0.00 0.00 60.65 62.15 2yub s ILE 70 Cb -0.13 -3.97 -0.26 0.00 0.01 0.00 0.00 42.46 38.10 2yub s ILE 70 CO -0.03 0.07 0.98 -0.07 0.00 0.00 0.00 174.94 175.88 2yub h LEU 71 N 7.38 0.27 -7.00 2.97 -0.00 -1.49 -3.43 115.31 114.01 2yub h LEU 71 Ca -0.39 -0.35 -0.04 0.00 -0.00 0.00 0.00 57.88 57.10 2yub h LEU 71 Cb 1.19 -0.09 -0.21 0.00 -0.00 0.00 0.00 40.66 41.55 2yub h LEU 71 CO 0.84 1.29 0.15 -1.61 -0.00 0.00 0.00 178.44 179.11 2yub s GLU 72 N -2.64 0.84 -0.27 1.13 8.01 -1.26 -4.20 118.70 120.31 2yub s GLU 72 Ca -0.05 0.90 -0.06 0.00 0.01 0.00 0.00 54.97 55.76 2yub s GLU 72 Cb 0.08 0.41 0.00 0.00 -4.31 0.00 0.00 34.13 30.31 2yub s GLU 72 CO 0.85 -0.12 0.05 0.42 0.01 0.00 0.00 175.26 176.47 2yub s ILE 73 N 0.20 3.86 -1.60 -1.63 1.01 -0.92 -1.37 121.20 120.75 2yub s ILE 73 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.03 2yub s ILE 73 Cb -0.04 -2.93 0.00 0.00 0.01 0.00 0.00 42.46 39.49 2yub s ILE 73 CO 0.02 0.17 0.00 0.59 0.00 0.00 0.00 174.94 175.72 2yub n ASN 74 N 4.85 -5.03 -1.04 3.58 4.13 -0.51 -2.77 115.26 118.47 2yub n ASN 74 Ca -0.15 0.17 -0.02 0.00 1.68 0.00 0.00 54.58 56.26 2yub n ASN 74 Cb 0.49 -4.09 0.01 0.00 -1.54 0.00 0.00 39.78 34.65 2yub n ASN 74 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yub n GLY 75 N -0.96 0.54 3.18 7.41 0.00 -1.26 -5.00 105.19 109.10 2yub n GLY 75 Ca -0.19 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.21 2yub n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yub s THR 76 N -3.03 0.05 -0.34 2.61 2.01 -1.11 -5.12 115.64 110.71 2yub s THR 76 Ca 0.02 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2yub s THR 76 Cb -0.01 -0.50 -0.01 0.00 0.01 0.00 0.00 72.50 71.99 2yub s THR 76 CO 0.06 -0.22 1.69 -2.16 -0.69 0.00 0.00 174.62 173.30 2yub s PRO 77 N -0.91 3.44 0.00 4.92 0.04 -1.26 -2.16 135.00 139.07 2yub s PRO 77 Ca -0.10 1.34 0.24 0.00 0.04 0.00 0.00 61.00 62.52 2yub s PRO 77 Cb -0.05 -4.14 1.12 0.00 0.04 0.00 0.00 34.50 31.47 2yub s PRO 77 CO 0.02 -1.72 1.77 1.33 0.04 0.00 0.00 177.00 178.44 2yub n VAL 78 N 7.24 0.31 1.43 -0.36 0.24 -1.26 -2.12 118.33 123.81 2yub n VAL 78 Ca 0.21 0.08 0.14 0.00 -2.04 0.00 0.00 64.34 62.73 2yub n VAL 78 Cb 0.47 -0.68 0.56 0.00 -1.47 0.00 0.00 33.84 32.71 2yub n VAL 78 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2yub n ARG 79 N -1.37 0.97 0.00 7.34 0.00 -1.26 -4.08 116.66 118.25 2yub n ARG 79 Ca 0.09 -0.44 0.00 0.00 -0.00 0.00 0.00 57.85 57.50 2yub n ARG 79 Cb 0.22 -1.49 0.00 0.00 -0.00 0.00 0.00 32.46 31.19 2yub n ARG 79 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2yub n THR 80 N -0.63 0.00 -1.62 8.89 -2.24 -1.06 -4.31 114.28 113.31 2yub n THR 80 Ca 0.16 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.52 2yub n THR 80 Cb 0.30 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 2yub n THR 80 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2yub n LEU 81 N -1.80 2.70 -4.72 3.22 4.77 -0.90 -4.44 117.00 115.84 2yub n LEU 81 Ca 0.00 1.09 -0.39 0.00 -0.03 0.00 0.00 56.01 56.68 2yub n LEU 81 Cb 0.39 -1.37 0.04 0.00 -2.33 0.00 0.00 43.42 40.14 2yub n LEU 81 CO 0.00 -1.28 0.91 0.54 -1.33 0.00 0.00 177.39 176.23 2yub n ARG 82 N 0.29 1.65 -0.32 3.23 1.74 -1.26 -1.49 116.66 120.49 2yub n ARG 82 Ca 0.09 0.60 0.26 0.00 -0.77 0.00 0.00 57.85 58.03 2yub n ARG 82 Cb 0.38 -2.49 0.58 0.00 -1.02 0.00 0.00 32.46 29.91 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 1.46 0.48 0.00 1.55 2.07 -1.89 0.75 116.25 120.68 2yub h VAL 83 Ca -0.50 -0.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.78 2yub h VAL 83 Cb 1.31 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 2yub h VAL 83 CO 0.57 0.05 -0.68 1.05 0.02 0.00 0.00 177.57 178.58 2yub h GLU 84 N 0.28 0.00 0.26 1.57 4.11 -1.90 -3.25 114.58 115.65 2yub h GLU 84 Ca 0.59 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 60.01 2yub h GLU 84 Cb 1.73 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.98 2yub h GLU 84 CO -0.22 0.68 -0.13 0.93 0.07 0.00 0.00 179.01 180.34 2yub h GLU 85 N 0.00 -0.34 -0.38 1.06 3.07 0.16 0.29 114.58 118.43 2yub h GLU 85 Ca -0.01 0.02 0.11 0.00 -0.50 0.00 0.00 59.36 58.99 2yub h GLU 85 Cb 1.50 0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 29.47 2yub h GLU 85 CO 0.09 0.01 0.36 0.28 -1.40 0.00 0.00 179.01 178.35 2yub h VAL 86 N -0.82 0.50 0.15 3.13 2.07 -1.40 -0.83 116.25 119.05 2yub h VAL 86 Ca -0.04 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.12 2yub h VAL 86 Cb 0.51 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 2yub h VAL 86 CO 0.06 0.00 -1.90 -0.33 0.02 0.00 0.00 177.57 175.42 2yub h GLU 87 N 0.00 0.31 0.00 1.57 4.39 -1.56 -3.35 114.58 115.94 2yub h GLU 87 Ca 0.18 -0.53 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2yub h GLU 87 Cb 0.89 0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 29.74 2yub h GLU 87 CO -0.00 1.24 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.60 2yub h ASP 88 N 0.08 0.00 1.12 1.42 3.32 0.83 -0.52 116.42 122.69 2yub h ASP 88 Ca -0.39 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 2yub h ASP 88 Cb 2.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 41.60 2yub h ASP 88 CO 0.12 0.06 -0.29 0.00 -1.72 0.00 0.00 179.24 177.41 2yub h ALA 89 N 1.94 0.93 0.00 3.45 0.00 -1.33 -1.87 119.26 122.39 2yub h ALA 89 Ca -0.00 -0.26 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 2yub h ALA 89 Cb 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2yub h ALA 89 CO 0.01 0.36 -0.92 0.82 0.00 0.00 0.00 179.25 179.52 2yub h ILE 90 N 0.00 0.78 -0.60 0.00 1.08 -1.27 -3.38 117.51 114.13 2yub h ILE 90 Ca -0.00 -1.91 -0.01 0.00 -0.39 0.00 0.00 64.86 62.55 2yub h ILE 90 Cb 0.93 1.80 -0.03 0.00 -3.07 0.00 0.00 36.82 36.45 2yub h ILE 90 CO 0.04 0.26 0.34 0.07 -0.69 0.00 0.00 178.15 178.17 2yub h LYS 91 N -1.00 0.81 -6.47 2.37 2.10 -1.34 -3.42 116.57 109.62 2yub h LYS 91 Ca -0.23 -0.07 -0.54 0.00 -2.00 0.00 0.00 60.65 57.81 2yub h LYS 91 Cb 1.06 -0.17 0.01 0.00 -0.90 0.00 0.00 32.23 32.23 2yub h LYS 91 CO -0.14 0.58 0.76 1.14 -2.00 0.00 0.00 179.45 179.79 2yub s GLN 92 N -5.59 4.31 -0.34 0.07 1.03 -0.70 -4.83 119.66 113.61 2yub s GLN 92 Ca -0.10 2.00 0.16 0.00 0.04 0.00 0.00 55.36 57.46 2yub s GLN 92 Cb 0.17 -3.40 0.43 0.00 0.03 0.00 0.00 33.01 30.24 2yub s GLN 92 CO 0.77 -0.48 0.91 0.25 -2.54 0.00 0.00 175.29 174.20 2yub n THR 93 N 4.25 0.85 -0.09 3.63 -2.24 -1.26 -4.86 114.28 114.55 2yub n THR 93 Ca 0.12 -3.57 -0.11 0.00 -2.27 0.00 0.00 64.05 58.22 2yub n THR 93 Cb 0.43 0.30 -0.13 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.01 1.05 -4.22 3.42 7.64 -1.26 0.15 113.62 120.39 2yub n SER 94 Ca 0.15 -0.03 -0.28 0.00 1.01 0.00 0.00 58.87 59.71 2yub n SER 94 Cb 0.76 0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 64.50 2yub n SER 94 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yub n GLN 95 N -2.78 0.68 -1.78 1.43 6.02 -1.26 -4.65 117.38 115.04 2yub n GLN 95 Ca -0.32 -3.52 -0.42 0.00 -0.01 0.00 0.00 57.00 52.74 2yub n GLN 95 Cb 1.04 1.43 -0.03 0.00 1.02 0.00 0.00 30.24 33.70 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 -2.94 2.78 -0.40 5.09 2.01 -1.26 -2.58 115.64 118.34 2yub s THR 96 Ca 0.11 0.20 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 2yub s THR 96 Cb 0.01 -3.13 0.06 0.00 0.01 0.00 0.00 72.50 69.45 2yub s THR 96 CO 0.08 -0.00 0.22 -0.22 -0.69 0.00 0.00 174.62 174.00 2yub s LEU 97 N 2.98 4.92 0.20 4.42 2.96 0.61 -4.88 118.68 129.89 2yub s LEU 97 Ca 0.80 -1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 2yub s LEU 97 Cb -0.43 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.23 2yub s LEU 97 CO 0.36 -0.47 0.43 -1.10 -1.32 0.00 0.00 176.35 174.24 2yub s GLN 98 N 1.45 3.60 0.08 1.98 -0.21 -1.26 -3.43 119.66 121.86 2yub s GLN 98 Ca 0.02 -0.14 -0.00 0.00 0.02 0.00 0.00 55.36 55.26 2yub s GLN 98 Cb -0.22 -2.79 -0.04 0.00 1.00 0.00 0.00 33.01 30.96 2yub s GLN 98 CO 0.03 0.38 -0.03 -0.51 -2.12 0.00 0.00 175.29 173.04 2yub s LEU 99 N -3.07 2.43 -0.11 2.90 1.43 -0.77 -1.43 118.68 120.06 2yub s LEU 99 Ca 0.41 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 2yub s LEU 99 Cb -0.11 0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.24 2yub s LEU 99 CO 0.27 -0.57 -0.12 -0.22 0.23 0.00 0.00 176.35 175.94 2yub s LEU 100 N -2.98 1.53 0.23 1.79 2.96 -0.47 -2.41 118.68 119.32 2yub s LEU 100 Ca 0.10 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 2yub s LEU 100 Cb 0.07 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 2yub s LEU 100 CO -0.07 -0.04 0.02 -0.63 -1.32 0.00 0.00 176.35 174.31 2yub s ILE 101 N 1.27 3.66 -0.01 6.68 -1.09 -0.66 -1.21 121.20 129.84 2yub s ILE 101 Ca -0.02 -1.66 0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2yub s ILE 101 Cb -0.14 -2.91 -0.03 0.00 -1.58 0.00 0.00 42.46 37.80 2yub s ILE 101 CO -0.05 -0.27 -0.03 -0.70 -1.23 0.00 0.00 174.94 172.67 2yub s GLU 102 N -3.40 2.71 -0.20 2.79 2.12 -1.26 -2.01 118.70 119.46 2yub s GLU 102 Ca 0.30 -0.63 0.00 0.00 0.36 0.00 0.00 54.97 55.00 2yub s GLU 102 Cb -0.08 -2.61 0.02 0.00 0.26 0.00 0.00 34.13 31.72 2yub s GLU 102 CO 0.20 0.63 -0.16 -1.58 -0.54 0.00 0.00 175.26 173.81 2yub s HIS 103 N -1.02 2.87 -0.59 5.30 2.46 -0.62 -4.90 115.29 118.79 2yub s HIS 103 Ca 0.18 -1.58 0.06 0.00 0.47 0.00 0.00 55.06 54.19 2yub s HIS 103 Cb -0.11 -1.96 0.24 0.00 -0.13 0.00 0.00 32.58 30.61 2yub s HIS 103 CO 0.08 -0.77 0.65 -0.40 -2.47 0.00 0.00 174.74 171.84 2yub n ASP 104 N 4.64 2.80 0.20 9.88 5.68 -1.26 -3.25 116.55 135.23 2yub n ASP 104 Ca -0.20 -3.23 0.06 0.00 -0.50 0.00 0.00 54.79 50.93 2yub n ASP 104 Cb 0.49 -0.67 0.41 0.00 -1.14 0.00 0.00 41.12 40.21 2yub n ASP 104 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 2yub h PRO 105 N 4.37 0.00 -4.11 0.11 0.13 -1.96 -3.46 132.00 127.08 2yub h PRO 105 Ca 0.17 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.86 2yub h PRO 105 Cb 0.73 0.00 0.09 0.00 0.13 0.00 0.00 31.00 31.95 2yub h PRO 105 CO 0.73 0.34 -0.51 1.55 -0.23 0.00 0.00 178.00 179.88 2yub n VAL 106 N -3.69 0.91 -1.99 1.56 3.14 -1.26 -4.86 118.33 112.14 2yub n VAL 106 Ca -0.01 -0.34 -0.34 0.00 -2.96 0.00 0.00 64.34 60.69 2yub n VAL 106 Cb 0.44 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.25 2yub n VAL 106 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2yub s PRO 107 N -0.69 3.07 0.67 1.45 0.04 -1.26 -5.03 135.00 133.25 2yub s PRO 107 Ca 0.42 1.49 -0.11 0.00 0.04 0.00 0.00 61.00 62.84 2yub s PRO 107 Cb -0.54 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 2yub s PRO 107 CO 0.41 -1.06 1.05 -0.65 0.04 0.00 0.00 177.00 176.79 2yub s GLN 108 N -3.72 3.15 0.53 4.56 -1.52 -1.26 -5.05 119.66 116.34 2yub s GLN 108 Ca 0.70 0.89 -0.08 0.00 -1.95 0.00 0.00 55.36 54.92 2yub s GLN 108 Cb -0.22 -2.02 -0.04 0.00 -0.22 0.00 0.00 33.01 30.51 2yub s GLN 108 CO 0.35 -0.93 0.88 1.03 -0.25 0.00 0.00 175.29 176.36 2yub s ARG 109 N -5.08 3.59 0.00 2.91 0.52 -1.26 -5.01 118.95 114.62 2yub s ARG 109 Ca 0.57 0.43 0.00 0.00 -0.52 0.00 0.00 55.73 56.21 2yub s ARG 109 Cb -0.13 -2.27 0.00 0.00 0.52 0.00 0.00 34.95 33.07 2yub s ARG 109 CO 0.54 -0.33 0.00 1.28 0.02 0.00 0.00 175.30 176.82 2yub n LEU 110 N -2.36 1.83 0.00 2.53 4.77 -1.26 -5.09 117.00 117.42 2yub n LEU 110 Ca 0.03 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.77 2yub n LEU 110 Cb 0.55 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.82 2yub n LEU 110 CO 0.54 0.31 0.64 -0.67 -1.33 0.00 0.00 177.39 176.88 2yub n ASP 111 N -2.11 -0.60 -3.37 -1.43 -0.08 -1.26 -5.10 116.55 102.60 2yub n ASP 111 Ca 0.00 -1.27 0.02 0.00 -1.51 0.00 0.00 54.79 52.03 2yub n ASP 111 Cb 0.31 -0.82 -0.04 0.00 2.34 0.00 0.00 41.12 42.91 2yub n ASP 111 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2yub s GLN 112 N -5.25 0.31 -0.26 -0.67 2.00 -1.26 -5.14 119.66 109.39 2yub s GLN 112 Ca 0.60 0.74 0.03 0.00 -2.00 0.00 0.00 55.36 54.73 2yub s GLN 112 Cb -0.03 0.44 0.06 0.00 0.80 0.00 0.00 33.01 34.28 2yub s GLN 112 CO 0.43 -0.14 -0.10 0.45 -0.50 0.00 0.00 175.29 175.43 2yub s SER 113 N 2.55 4.47 0.00 6.67 0.15 -1.26 -5.06 113.70 121.23 2yub s SER 113 Ca -0.01 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2yub s SER 113 Cb -0.07 -1.56 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2yub s SER 113 CO -0.17 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.68 2yub n GLY 114 N 4.43 -1.09 3.74 9.45 0.00 -1.26 -5.13 105.19 115.34 2yub n GLY 114 Ca -0.13 -1.18 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.94 4.41 -0.07 1.61 0.04 -1.26 -4.94 135.00 132.84 2yub s PRO 115 Ca 0.00 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2yub s PRO 115 Cb 0.00 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2yub s PRO 115 CO 0.00 -0.21 -0.07 0.45 0.04 0.00 0.00 177.00 177.21 2yub n SER 116 N 2.31 2.76 -2.12 6.66 2.88 -1.26 -4.70 113.62 120.15 2yub n SER 116 Ca 0.05 -0.01 -0.27 0.00 -1.33 0.00 0.00 58.87 57.31 2yub n SER 116 Cb 0.43 -0.14 0.10 0.00 -0.75 0.00 0.00 64.21 63.85 2yub n SER 116 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yub n SER 117 N -2.86 5.90 0.00 -3.46 7.64 -1.26 -5.31 113.62 114.27 2yub n SER 117 Ca -0.13 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 55.99 2yub n SER 117 Cb 0.63 -0.79 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2yub n SER 117 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64