#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2or7 s VAL 7 N 0.00 2.80 -0.16 0.00 1.01 -0.51 -4.82 120.40 118.71 2or7 s VAL 7 Ca 0.00 0.63 -0.13 0.00 0.00 0.00 0.00 61.98 62.48 2or7 s VAL 7 Cb 0.00 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 2or7 s VAL 7 CO 0.00 0.08 0.25 -1.10 0.00 0.00 0.00 175.10 174.33 2or7 s GLN 8 N 0.21 4.16 0.28 2.72 -1.52 -1.26 -1.07 119.66 123.18 2or7 s GLN 8 Ca 0.62 0.03 0.05 0.00 -1.95 0.00 0.00 55.36 54.11 2or7 s GLN 8 Cb -0.41 -3.40 -0.06 0.00 -0.22 0.00 0.00 33.01 28.93 2or7 s GLN 8 CO 0.38 0.32 -0.02 0.20 -0.25 0.00 0.00 175.29 175.91 2or7 s GLY 9 N 0.25 1.82 -0.10 3.09 0.00 0.24 -4.97 107.32 107.66 2or7 s GLY 9 Ca 0.15 -1.91 0.01 0.00 0.00 0.00 0.00 44.72 42.97 2or7 s GLY 9 CO 0.03 -1.80 -0.12 -2.27 0.00 0.00 0.00 173.10 168.94 2or7 s LEU 10 N -3.42 1.56 0.19 0.66 2.96 -1.26 -0.91 118.68 118.45 2or7 s LEU 10 Ca 0.31 -0.36 -0.32 0.00 -0.22 0.00 0.00 54.13 53.53 2or7 s LEU 10 Cb 0.05 -0.95 -0.15 0.00 0.50 0.00 0.00 46.19 45.64 2or7 s LEU 10 CO 0.12 -0.02 1.25 0.00 -1.32 0.00 0.00 176.35 176.38 2or7 n ALA 11 N 4.32 -0.12 0.00 5.97 0.00 -0.42 -1.24 120.51 129.02 2or7 n ALA 11 Ca -0.18 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2or7 n ALA 11 Cb 0.51 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2or7 n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2or7 n GLY 12 N 2.10 1.37 3.56 0.00 0.00 0.75 -4.95 105.19 108.02 2or7 n GLY 12 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 2or7 n GLY 12 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2or7 s HIS 13 N -2.34 2.50 0.62 1.61 3.76 -0.37 -4.66 115.29 116.40 2or7 s HIS 13 Ca 0.00 -0.29 -0.10 0.00 -0.15 0.00 0.00 55.06 54.52 2or7 s HIS 13 Cb 0.00 -1.13 -0.02 0.00 1.11 0.00 0.00 32.58 32.54 2or7 s HIS 13 CO 0.00 0.65 1.00 -1.25 -0.85 0.00 0.00 174.74 174.29 2or7 s PRO 14 N -3.60 3.34 0.00 8.40 0.04 -1.26 -2.14 135.00 139.78 2or7 s PRO 14 Ca 0.31 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2or7 s PRO 14 Cb -0.05 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.36 2or7 s PRO 14 CO 0.18 -0.64 -0.01 0.54 0.04 0.00 0.00 177.00 177.10 2or7 s VAL 15 N -3.14 0.09 -0.10 -0.36 0.11 -0.79 -4.80 120.40 111.41 2or7 s VAL 15 Ca 0.55 -0.16 0.03 0.00 -2.93 0.00 0.00 61.98 59.46 2or7 s VAL 15 Cb -0.11 -0.11 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2or7 s VAL 15 CO 0.51 -0.04 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.16 2or7 s THR 16 N -0.20 2.48 -0.36 5.04 2.01 -1.26 -0.65 115.64 122.69 2or7 s THR 16 Ca -0.02 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2or7 s THR 16 Cb -0.02 -1.99 0.04 0.00 0.01 0.00 0.00 72.50 70.55 2or7 s THR 16 CO -0.00 0.55 0.16 -0.76 -0.69 0.00 0.00 174.62 173.88 2or7 s LEU 17 N 0.23 4.59 0.27 4.42 1.43 0.11 -4.97 118.68 124.77 2or7 s LEU 17 Ca -0.13 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 51.52 2or7 s LEU 17 Cb -0.16 -1.94 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 2or7 s LEU 17 CO 0.07 -0.38 1.53 -2.84 0.23 0.00 0.00 176.35 174.96 2or7 s PRO 18 N 1.46 4.18 -0.25 1.29 0.02 -1.26 -1.48 135.00 138.96 2or7 s PRO 18 Ca 0.00 2.47 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 2or7 s PRO 18 Cb -0.20 -3.06 0.14 0.00 0.02 0.00 0.00 34.50 31.40 2or7 s PRO 18 CO 0.04 -0.55 0.43 0.00 -0.33 0.00 0.00 177.00 176.59 2or7 s ILE 20 N 2.63 0.11 0.07 0.00 1.01 -1.26 -0.89 121.20 122.86 2or7 s ILE 20 Ca 0.11 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.73 2or7 s ILE 20 Cb -0.15 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 41.93 2or7 s ILE 20 CO -0.16 -0.49 0.30 -0.72 0.00 0.00 0.00 174.94 173.87 2or7 s TYR 21 N -1.63 -0.07 -0.34 3.97 -0.85 -0.65 -5.00 117.35 112.78 2or7 s TYR 21 Ca -0.14 -0.17 -0.29 0.00 -0.52 0.00 0.00 57.07 55.95 2or7 s TYR 21 Cb -0.08 0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.38 2or7 s TYR 21 CO -0.01 -0.56 1.08 0.45 -1.52 0.00 0.00 175.55 174.99 2or7 s SER 22 N -2.41 6.90 0.42 -0.18 0.15 -1.26 -4.35 113.70 112.97 2or7 s SER 22 Ca -0.01 0.98 0.25 0.00 0.70 0.00 0.00 55.95 57.87 2or7 s SER 22 Cb 0.01 -2.54 0.53 0.00 -1.71 0.00 0.00 66.02 62.31 2or7 s SER 22 CO -0.07 -0.91 1.68 0.71 1.20 0.00 0.00 173.24 175.84 2or7 h THR 23 N 5.78 0.00 -0.63 6.45 1.35 -1.81 0.18 112.91 124.24 2or7 h THR 23 Ca -0.21 -0.86 -0.09 0.00 -0.55 0.00 0.00 66.41 64.70 2or7 h THR 23 Cb 1.06 1.86 -0.02 0.00 -1.73 0.00 0.00 68.15 69.31 2or7 h THR 23 CO 1.04 0.00 0.03 -0.74 -0.25 0.00 0.00 175.52 175.60 2or7 h HIS 24 N 0.00 1.17 0.00 4.73 -0.00 -1.90 0.17 115.15 119.33 2or7 h HIS 24 Ca 0.00 -0.19 -0.28 0.00 -0.00 0.00 0.00 60.37 59.90 2or7 h HIS 24 Cb 0.90 -0.31 -0.05 0.00 -0.00 0.00 0.00 27.41 27.95 2or7 h HIS 24 CO 0.00 1.02 -2.07 1.28 -0.00 0.00 0.00 177.93 178.15 2or7 n LEU 25 N -4.19 0.29 -0.00 0.26 4.77 -1.19 -4.46 117.00 112.49 2or7 n LEU 25 Ca 0.03 0.14 0.10 0.00 -0.03 0.00 0.00 56.01 56.25 2or7 n LEU 25 Cb 0.33 0.32 -0.11 0.00 -2.33 0.00 0.00 43.42 41.63 2or7 n LEU 25 CO 0.44 0.37 -0.18 0.61 -1.33 0.00 0.00 177.39 177.30 2or7 n GLY 26 N 1.60 -1.02 0.01 -0.72 0.00 0.04 -5.09 105.19 100.02 2or7 n GLY 26 Ca -0.23 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2or7 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2or7 n GLY 27 N 1.44 -1.74 3.51 -0.02 0.00 0.60 -4.69 105.19 104.28 2or7 n GLY 27 Ca 0.02 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2or7 n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2or7 s ILE 28 N -1.71 4.91 0.24 -0.61 1.01 -1.26 -4.50 121.20 119.28 2or7 s ILE 28 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.67 2or7 s ILE 28 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.26 2or7 s ILE 28 CO 0.00 -0.54 -0.07 0.68 0.00 0.00 0.00 174.94 175.00 2or7 s VAL 29 N 2.60 1.50 0.75 2.92 -7.23 -1.26 -4.84 120.40 114.83 2or7 s VAL 29 Ca 0.19 -2.12 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 2or7 s VAL 29 Cb -0.15 -2.26 0.05 0.00 0.56 0.00 0.00 36.38 34.58 2or7 s VAL 29 CO 0.17 -0.43 1.15 -2.84 -0.31 0.00 0.00 175.10 172.84 2or7 s PRO 30 N -3.73 2.17 0.16 4.82 0.02 -1.26 -3.70 135.00 133.48 2or7 s PRO 30 Ca 0.26 1.52 -0.10 0.00 0.02 0.00 0.00 61.00 62.70 2or7 s PRO 30 Cb 0.03 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.68 2or7 s PRO 30 CO 0.09 -1.76 0.30 0.00 -0.33 0.00 0.00 177.00 175.30 2or7 s MET 31 N -4.25 1.15 0.03 5.54 0.23 -1.25 -1.03 119.30 119.73 2or7 s MET 31 Ca 0.69 -1.12 -0.11 0.00 -1.03 0.00 0.00 55.69 54.12 2or7 s MET 31 Cb -0.24 0.39 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 2or7 s MET 31 CO 0.48 -0.43 0.23 0.00 -2.03 0.00 0.00 175.02 173.28 2or7 s TRP 33 N -2.32 2.53 0.08 0.00 0.52 -0.43 -0.99 118.94 118.33 2or7 s TRP 33 Ca -0.07 -0.28 -0.06 0.00 0.02 0.00 0.00 56.10 55.71 2or7 s TRP 33 Cb -0.02 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2or7 s TRP 33 CO -0.02 0.24 0.13 0.20 0.02 0.00 0.00 176.95 177.51 2or7 s GLY 34 N -1.41 0.24 0.06 0.98 0.00 0.21 -0.71 107.32 106.69 2or7 s GLY 34 Ca 0.14 -0.82 -0.22 0.00 0.00 0.00 0.00 44.72 43.82 2or7 s GLY 34 CO 0.05 -0.97 0.66 1.08 0.00 0.00 0.00 173.10 173.92 2or7 s LEU 35 N -2.89 4.49 0.00 0.66 1.43 -0.31 -0.95 118.68 121.11 2or7 s LEU 35 Ca 0.07 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.51 2or7 s LEU 35 Cb 0.06 -3.05 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2or7 s LEU 35 CO -0.10 0.15 0.00 0.61 0.23 0.00 0.00 176.35 177.24 2or7 n GLY 36 N 2.08 1.52 3.81 -3.19 0.00 0.85 -4.57 105.19 105.69 2or7 n GLY 36 Ca -0.07 -2.13 -0.35 0.00 0.00 0.00 0.00 46.02 43.48 2or7 n GLY 36 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2or7 s GLU 37 N -1.66 4.35 0.17 1.61 2.02 -1.26 -2.85 118.70 121.08 2or7 s GLU 37 Ca 0.00 1.13 -0.17 0.00 0.02 0.00 0.00 54.97 55.95 2or7 s GLU 37 Cb 0.00 -2.52 0.11 0.00 0.10 0.00 0.00 34.13 31.82 2or7 s GLU 37 CO 0.00 0.15 1.66 0.00 0.02 0.00 0.00 175.26 177.09 2or7 n ARG 39 N -5.33 0.15 -0.01 0.00 -4.01 -1.26 -0.99 116.66 105.21 2or7 n ARG 39 Ca 0.03 0.27 0.10 0.00 -1.04 0.00 0.00 57.85 57.21 2or7 n ARG 39 Cb 0.24 -1.73 -0.15 0.00 -3.04 0.00 0.00 32.46 27.78 2or7 n ARG 39 CO 0.00 0.00 0.00 -2.39 -3.04 0.00 0.00 177.63 172.20 2or7 n HIS 40 N -2.01 0.00 0.00 2.89 1.44 -0.91 -4.78 115.22 111.85 2or7 n HIS 40 Ca 0.04 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.75 2or7 n HIS 40 Cb 0.30 -0.42 0.00 0.00 0.12 0.00 0.00 29.99 29.99 2or7 n HIS 40 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 2or7 n SER 41 N -2.13 0.97 0.00 4.39 7.64 -0.78 -5.00 113.62 118.71 2or7 n SER 41 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.85 2or7 n SER 41 Cb 0.50 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2or7 n SER 41 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2or7 n TYR 42 N -0.64 0.00 -1.43 1.43 4.02 -0.16 -0.56 117.16 119.82 2or7 n TYR 42 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.90 57.87 2or7 n TYR 42 Cb 0.07 0.00 0.20 0.00 -0.02 0.00 0.00 39.34 39.59 2or7 n TYR 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2or7 h ILE 44 N 1.03 1.14 -3.04 0.00 2.04 -1.17 -2.73 117.51 114.78 2or7 h ILE 44 Ca 0.18 -0.41 -0.77 0.00 1.00 0.00 0.00 64.86 64.87 2or7 h ILE 44 Cb 1.57 -0.15 -0.31 0.00 -0.74 0.00 0.00 36.82 37.20 2or7 h ILE 44 CO 0.34 0.22 0.42 0.54 0.00 0.00 0.00 178.15 179.66 2or7 n ARG 45 N -4.49 3.77 -2.09 2.37 1.74 -1.26 -5.04 116.66 111.66 2or7 n ARG 45 Ca 0.13 -4.54 -0.39 0.00 -0.77 0.00 0.00 57.85 52.29 2or7 n ARG 45 Cb 0.12 -2.48 -0.00 0.00 -1.02 0.00 0.00 32.46 29.08 2or7 n ARG 45 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2or7 s SER 46 N -0.90 6.22 -0.06 0.55 1.04 -1.03 -1.16 113.70 118.36 2or7 s SER 46 Ca 0.32 2.57 0.01 0.00 0.48 0.00 0.00 55.95 59.33 2or7 s SER 46 Cb 0.01 -2.63 -0.04 0.00 0.10 0.00 0.00 66.02 63.46 2or7 s SER 46 CO 0.02 -0.91 -0.04 0.18 0.98 0.00 0.00 173.24 173.47 2or7 n LEU 47 N -0.08 2.45 -3.81 2.42 4.77 0.11 -4.51 117.00 118.36 2or7 n LEU 47 Ca 0.05 -0.03 -0.12 0.00 -0.03 0.00 0.00 56.01 55.88 2or7 n LEU 47 Cb 0.45 -0.15 -0.10 0.00 -2.33 0.00 0.00 43.42 41.29 2or7 n LEU 47 CO 0.54 0.51 -0.09 -0.63 -1.33 0.00 0.00 177.39 176.38 2or7 s ILE 48 N -2.11 0.04 -0.00 -0.08 -1.09 -1.13 -0.70 121.20 116.12 2or7 s ILE 48 Ca -0.07 -0.30 0.01 0.00 -2.23 0.00 0.00 60.65 58.07 2or7 s ILE 48 Cb 0.02 -0.43 -0.00 0.00 -1.58 0.00 0.00 42.46 40.47 2or7 s ILE 48 CO 0.14 -0.16 -0.03 0.26 -1.23 0.00 0.00 174.94 173.92 2or7 s TRP 49 N -0.61 0.28 0.34 3.97 0.52 -0.47 -1.32 118.94 121.66 2or7 s TRP 49 Ca -0.07 -0.05 0.06 0.00 0.02 0.00 0.00 56.10 56.06 2or7 s TRP 49 Cb -0.04 -0.20 -0.07 0.00 -1.15 0.00 0.00 33.47 32.02 2or7 s TRP 49 CO 0.02 -0.01 0.01 0.95 0.02 0.00 0.00 176.95 177.93 2or7 s THR 50 N -0.00 1.59 -0.28 2.01 -4.23 -0.52 -0.62 115.64 113.59 2or7 s THR 50 Ca 0.00 -2.05 0.16 0.00 -1.18 0.00 0.00 61.69 58.63 2or7 s THR 50 Cb -0.02 -2.75 0.50 0.00 1.34 0.00 0.00 72.50 71.57 2or7 s THR 50 CO -0.00 -0.09 1.40 -0.46 -0.54 0.00 0.00 174.62 174.93 2or7 n ASN 51 N -0.74 3.78 0.00 3.99 6.94 -0.89 -3.80 115.26 124.54 2or7 n ASN 51 Ca -0.04 -2.88 0.00 0.00 -0.02 0.00 0.00 54.58 51.64 2or7 n ASN 51 Cb 0.66 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 2or7 n ASN 51 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2or7 n GLY 52 N -0.35 3.09 0.03 4.83 0.00 -1.24 -4.38 105.19 107.16 2or7 n GLY 52 Ca 0.20 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.19 2or7 n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2or7 n TYR 53 N -0.63 0.00 -3.74 1.61 4.02 -1.26 -3.75 117.16 113.42 2or7 n TYR 53 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.79 2or7 n TYR 53 Cb 0.00 -0.28 -0.05 0.00 -0.02 0.00 0.00 39.34 38.99 2or7 n TYR 53 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 2or7 s THR 54 N -2.14 0.08 -0.04 -0.72 -1.32 -1.26 -4.31 115.64 105.92 2or7 s THR 54 Ca -0.03 -0.83 -0.30 0.00 -1.21 0.00 0.00 61.69 59.32 2or7 s THR 54 Cb 0.02 -1.36 -0.04 0.00 -1.51 0.00 0.00 72.50 69.61 2or7 s THR 54 CO 0.23 -0.35 1.21 -0.69 -2.21 0.00 0.00 174.62 172.82 2or7 s VAL 55 N -3.85 4.20 -0.39 5.08 1.01 -1.26 -2.09 120.40 123.10 2or7 s VAL 55 Ca 0.06 1.54 0.14 0.00 0.00 0.00 0.00 61.98 63.72 2or7 s VAL 55 Cb 0.02 -3.99 -0.18 0.00 0.00 0.00 0.00 36.38 32.24 2or7 s VAL 55 CO -0.09 0.01 0.47 0.35 0.00 0.00 0.00 175.10 175.84 2or7 n THR 56 N 4.57 0.00 -3.74 3.92 -2.24 0.21 -4.96 114.28 112.04 2or7 n THR 56 Ca 0.11 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.52 2or7 n THR 56 Cb 0.46 0.67 -0.10 0.00 -2.10 0.00 0.00 70.33 69.26 2or7 n THR 56 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2or7 s HIS 57 N -2.56 -0.41 -0.12 4.78 3.76 -1.06 -4.98 115.29 114.70 2or7 s HIS 57 Ca 0.01 1.01 -0.09 0.00 -0.15 0.00 0.00 55.06 55.84 2or7 s HIS 57 Cb 0.10 0.14 0.04 0.00 1.11 0.00 0.00 32.58 33.97 2or7 s HIS 57 CO 0.57 -0.20 0.30 1.14 -0.85 0.00 0.00 174.74 175.70 2or7 s GLN 58 N 0.20 0.32 0.12 1.40 -2.07 -1.26 -1.37 119.66 117.00 2or7 s GLN 58 Ca -0.00 0.48 -0.21 0.00 -1.82 0.00 0.00 55.36 53.82 2or7 s GLN 58 Cb -0.03 0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 31.91 2or7 s GLN 58 CO 0.01 -0.08 1.73 -0.09 -1.32 0.00 0.00 175.29 175.53 2or7 h ARG 59 N 6.22 0.05 -3.02 9.60 2.43 -1.14 -3.46 114.38 125.05 2or7 h ARG 59 Ca -0.31 -0.00 0.07 0.00 -0.81 0.00 0.00 59.98 58.93 2or7 h ARG 59 Cb 1.18 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 2or7 h ARG 59 CO 0.33 0.03 0.22 0.54 -1.51 0.00 0.00 179.97 179.58 2or7 s ASN 60 N -5.23 -0.26 0.37 -3.80 2.20 -1.26 -5.05 114.94 101.91 2or7 s ASN 60 Ca -0.13 -0.62 0.25 0.00 -0.94 0.00 0.00 52.86 51.42 2or7 s ASN 60 Cb 0.09 0.73 1.33 0.00 -2.00 0.00 0.00 41.25 41.39 2or7 s ASN 60 CO 0.68 -1.34 1.77 0.28 -2.94 0.00 0.00 177.10 175.54 2or7 h SER 61 N 2.01 0.00 1.12 3.54 0.02 -1.99 -2.56 113.55 115.68 2or7 h SER 61 Ca -0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 2or7 h SER 61 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2or7 h SER 61 CO 0.23 0.00 0.00 0.03 -1.14 0.00 0.00 176.83 175.95 2or7 h ARG 62 N 0.00 0.00 -4.95 3.45 3.08 -1.94 -3.41 114.38 110.61 2or7 h ARG 62 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 2or7 h ARG 62 Cb 0.04 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 29.91 2or7 h ARG 62 CO 0.00 0.00 -0.16 0.71 -1.07 0.00 0.00 179.97 179.45 2or7 s TYR 63 N -3.47 3.16 0.05 3.04 1.51 -0.97 -0.78 117.35 119.88 2or7 s TYR 63 Ca 0.04 -0.31 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 2or7 s TYR 63 Cb 0.09 -2.95 -0.03 0.00 -0.11 0.00 0.00 41.96 38.96 2or7 s TYR 63 CO 0.53 -0.72 -0.20 -0.65 -1.11 0.00 0.00 175.55 173.40 2or7 s GLN 64 N 2.24 1.28 -0.46 -0.62 -1.52 -0.42 -4.90 119.66 115.26 2or7 s GLN 64 Ca 0.14 -0.93 -0.06 0.00 -1.95 0.00 0.00 55.36 52.56 2or7 s GLN 64 Cb -0.17 -1.39 0.12 0.00 -0.22 0.00 0.00 33.01 31.36 2or7 s GLN 64 CO 0.14 0.35 0.29 -0.51 -0.25 0.00 0.00 175.29 175.31 2or7 s LEU 65 N -1.25 5.47 0.00 2.90 1.02 -1.26 -0.30 118.68 125.26 2or7 s LEU 65 Ca 0.06 -2.05 0.25 0.00 0.02 0.00 0.00 54.13 52.41 2or7 s LEU 65 Cb -0.09 -1.92 0.58 0.00 0.02 0.00 0.00 46.19 44.79 2or7 s LEU 65 CO 0.02 -0.60 1.46 0.29 0.02 0.00 0.00 176.35 177.54 2or7 n LYS 66 N 4.64 0.56 -1.64 1.70 5.02 -1.26 -4.93 118.16 122.25 2or7 n LYS 66 Ca -0.04 -0.35 -0.17 0.00 -2.02 0.00 0.00 58.31 55.74 2or7 n LYS 66 Cb 0.41 -1.49 0.10 0.00 -0.02 0.00 0.00 35.03 34.03 2or7 n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2or7 n GLY 67 N 1.40 -0.11 3.53 0.72 0.00 -1.26 -4.97 105.19 104.49 2or7 n GLY 67 Ca 0.10 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.81 2or7 n GLY 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2or7 s ASN 68 N -3.87 6.36 0.12 1.61 3.84 -1.25 -4.89 114.94 116.86 2or7 s ASN 68 Ca 0.46 -1.13 -0.27 0.00 0.21 0.00 0.00 52.86 52.13 2or7 s ASN 68 Cb -0.02 -2.53 -0.07 0.00 -0.55 0.00 0.00 41.25 38.08 2or7 s ASN 68 CO 0.31 -1.56 1.63 0.40 -2.79 0.00 0.00 177.10 175.09 2or7 h ILE 69 N 6.32 0.36 0.00 -5.21 2.04 -1.86 -1.84 117.51 117.32 2or7 h ILE 69 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2or7 h ILE 69 Cb 1.03 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2or7 h ILE 69 CO 1.31 0.00 0.00 -1.54 0.00 0.00 0.00 178.15 177.92 2or7 n SER 70 N -5.40 0.32 -1.24 1.72 3.41 -1.25 -1.01 113.62 110.18 2or7 n SER 70 Ca -0.06 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.28 2or7 n SER 70 Cb 0.31 -0.67 0.26 0.00 -0.26 0.00 0.00 64.21 63.85 2or7 n SER 70 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2or7 n GLU 71 N -1.89 2.60 0.00 4.33 1.02 -0.86 -4.90 120.64 120.94 2or7 n GLU 71 Ca 0.01 -2.45 0.00 0.00 -0.02 0.00 0.00 57.16 54.70 2or7 n GLU 71 Cb 0.10 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2or7 n GLU 71 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2or7 n GLY 72 N 1.56 0.32 3.41 0.62 0.00 -0.18 -4.58 105.19 106.35 2or7 n GLY 72 Ca 0.21 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2or7 n GLY 72 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2or7 s ASN 73 N -2.05 6.30 -0.35 1.61 2.47 -0.75 -1.64 114.94 120.53 2or7 s ASN 73 Ca 0.00 -1.50 0.07 0.00 0.42 0.00 0.00 52.86 51.85 2or7 s ASN 73 Cb 0.00 -2.35 0.51 0.00 -1.45 0.00 0.00 41.25 37.96 2or7 s ASN 73 CO 0.00 -1.17 1.53 1.33 -3.72 0.00 0.00 177.10 175.07 2or7 n VAL 74 N 5.55 2.74 -1.92 -5.21 0.24 -0.07 -3.41 118.33 116.24 2or7 n VAL 74 Ca 0.00 -2.95 -0.40 0.00 -2.04 0.00 0.00 64.34 58.96 2or7 n VAL 74 Cb 0.45 -0.56 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 2or7 n VAL 74 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2or7 s SER 75 N -2.52 6.22 -0.17 -1.34 0.01 -0.78 -4.56 113.70 110.55 2or7 s SER 75 Ca 0.49 2.83 -0.14 0.00 1.31 0.00 0.00 55.95 60.44 2or7 s SER 75 Cb 0.43 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2or7 s SER 75 CO 0.01 -0.93 0.29 -0.22 0.41 0.00 0.00 173.24 172.80 2or7 s LEU 76 N -2.39 4.22 -0.20 2.44 2.96 -0.55 -4.25 118.68 120.91 2or7 s LEU 76 Ca 0.57 0.46 -0.04 0.00 -0.22 0.00 0.00 54.13 54.90 2or7 s LEU 76 Cb -0.42 -2.35 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2or7 s LEU 76 CO 0.55 0.08 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.73 2or7 s THR 77 N 0.62 3.52 -0.34 3.68 2.01 0.59 0.06 115.64 125.78 2or7 s THR 77 Ca 0.16 -0.46 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 2or7 s THR 77 Cb -0.13 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 2or7 s THR 77 CO 0.04 0.44 0.29 -0.63 -0.69 0.00 0.00 174.62 174.07 2or7 s ILE 78 N 1.20 5.24 0.44 1.82 1.01 0.17 -1.31 121.20 129.77 2or7 s ILE 78 Ca 0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 60.65 60.42 2or7 s ILE 78 Cb -0.14 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 2or7 s ILE 78 CO -0.01 -0.03 0.91 -1.61 0.00 0.00 0.00 174.94 174.21 2or7 s GLU 79 N 1.85 4.08 -1.22 2.79 0.41 0.04 -1.89 118.70 124.75 2or7 s GLU 79 Ca 0.09 0.95 -0.27 0.00 -0.41 0.00 0.00 54.97 55.32 2or7 s GLU 79 Cb -0.17 -2.22 0.03 0.00 -1.78 0.00 0.00 34.13 29.98 2or7 s GLU 79 CO 0.11 -0.07 0.66 -1.71 -0.49 0.00 0.00 175.26 173.76 2or7 n ASN 80 N -0.92 -3.98 -4.73 -0.19 5.15 -1.26 -4.88 115.26 104.45 2or7 n ASN 80 Ca 0.06 -1.21 -0.34 0.00 -0.60 0.00 0.00 54.58 52.49 2or7 n ASN 80 Cb 0.54 -2.21 0.09 0.00 -0.53 0.00 0.00 39.78 37.67 2or7 n ASN 80 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2or7 s THR 81 N -3.58 2.36 0.17 -0.44 -4.23 -0.91 -4.66 115.64 104.34 2or7 s THR 81 Ca 0.44 0.18 0.05 0.00 -1.18 0.00 0.00 61.69 61.17 2or7 s THR 81 Cb -0.22 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.80 2or7 s THR 81 CO 0.94 -0.09 -0.09 0.68 -0.54 0.00 0.00 174.62 175.52 2or7 s VAL 82 N -1.95 1.19 0.55 2.29 -7.23 -1.26 -0.18 120.40 113.80 2or7 s VAL 82 Ca 0.74 -2.07 0.24 0.00 -1.81 0.00 0.00 61.98 59.09 2or7 s VAL 82 Cb -0.29 -1.96 0.36 0.00 0.56 0.00 0.00 36.38 35.05 2or7 s VAL 82 CO 0.44 -0.65 2.06 -0.37 -0.31 0.00 0.00 175.10 176.27 2or7 h VAL 83 N 2.70 0.72 0.00 1.32 -1.51 -1.88 0.10 116.25 117.70 2or7 h VAL 83 Ca -0.37 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 2or7 h VAL 83 Cb 1.20 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 31.18 2or7 h VAL 83 CO 0.64 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.59 2or7 n GLY 84 N -1.55 -0.86 0.02 5.19 0.00 -1.26 -1.93 105.19 104.80 2or7 n GLY 84 Ca 0.04 -0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2or7 n GLY 84 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2or7 n ASP 85 N -1.41 0.16 -4.72 1.61 8.00 0.02 -4.88 116.55 115.33 2or7 n ASP 85 Ca 0.05 0.09 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 2or7 n ASP 85 Cb 0.14 -0.27 0.08 0.00 -0.02 0.00 0.00 41.12 41.05 2or7 n ASP 85 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2or7 s GLY 86 N -2.84 2.61 0.00 0.44 0.00 -0.81 -4.89 107.32 101.82 2or7 s GLY 86 Ca 0.18 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.97 2or7 s GLY 86 CO 0.54 1.48 0.00 0.61 0.00 0.00 0.00 173.10 175.73 2or7 n GLY 87 N 0.69 0.97 3.75 0.20 0.00 0.34 -4.95 105.19 106.21 2or7 n GLY 87 Ca 0.15 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 2or7 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2or7 s PRO 88 N -1.15 4.82 0.06 1.61 0.04 -1.26 -0.61 135.00 138.51 2or7 s PRO 88 Ca 0.00 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.55 2or7 s PRO 88 Cb 0.00 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2or7 s PRO 88 CO 0.00 0.49 -0.12 0.71 0.04 0.00 0.00 177.00 178.12 2or7 s TYR 89 N -1.23 1.06 -0.04 0.56 1.51 -0.08 -0.10 117.35 119.03 2or7 s TYR 89 Ca 0.42 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 2or7 s TYR 89 Cb -0.25 -0.61 0.01 0.00 -0.11 0.00 0.00 41.96 41.00 2or7 s TYR 89 CO 0.31 0.02 -0.09 0.00 -1.11 0.00 0.00 175.55 174.68 2or7 s VAL 92 N -0.16 0.83 -0.29 0.00 1.01 -0.16 -1.61 120.40 120.01 2or7 s VAL 92 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 61.98 61.76 2or7 s VAL 92 Cb -0.13 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2or7 s VAL 92 CO 0.03 0.33 0.12 -0.69 0.00 0.00 0.00 175.10 174.89 2or7 s VAL 93 N 1.77 4.38 -1.46 2.92 1.01 0.13 -0.86 120.40 128.30 2or7 s VAL 93 Ca 0.05 -0.43 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2or7 s VAL 93 Cb -0.12 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 2or7 s VAL 93 CO -0.07 0.13 2.61 -0.62 0.00 0.00 0.00 175.10 177.15 2or7 n GLU 94 N 4.94 3.17 -2.51 2.72 1.02 -0.20 -1.71 120.64 128.07 2or7 n GLU 94 Ca -0.15 -2.21 -0.43 0.00 -0.02 0.00 0.00 57.16 54.36 2or7 n GLU 94 Cb 0.49 -2.90 -0.02 0.00 -0.02 0.00 0.00 31.44 28.99 2or7 n GLU 94 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2or7 s ILE 95 N 2.75 4.22 -0.18 -3.67 1.01 -1.26 -4.56 121.20 119.50 2or7 s ILE 95 Ca 0.59 1.33 -0.39 0.00 0.00 0.00 0.00 60.65 62.18 2or7 s ILE 95 Cb 0.16 -4.35 -0.16 0.00 0.01 0.00 0.00 42.46 38.12 2or7 s ILE 95 CO -0.06 -0.66 1.62 -2.65 0.00 0.00 0.00 174.94 173.20 2or7 n PRO 96 N 7.45 1.11 -0.71 2.79 -0.02 -1.26 -0.66 135.00 143.70 2or7 n PRO 96 Ca 0.14 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2or7 n PRO 96 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2or7 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2or7 n GLY 97 N 3.70 1.41 2.71 -1.23 0.00 -1.26 -4.83 105.19 105.70 2or7 n GLY 97 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2or7 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2or7 n ALA 98 N 0.76 -0.44 -1.67 4.61 0.00 0.16 -5.14 120.51 118.80 2or7 n ALA 98 Ca 0.00 -1.49 -0.42 0.00 0.00 0.00 0.00 53.44 51.53 2or7 n ALA 98 Cb 0.00 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.32 2or7 n ALA 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2or7 n PHE 99 N 0.23 1.96 -4.17 0.00 3.01 -1.03 -4.46 117.46 112.99 2or7 n PHE 99 Ca 0.05 0.57 -0.34 0.00 1.01 0.00 0.00 57.45 58.73 2or7 n PHE 99 Cb 0.72 -2.36 -0.10 0.00 -0.01 0.00 0.00 39.48 37.73 2or7 n PHE 99 CO 0.00 0.00 0.00 -1.58 1.01 0.00 0.00 176.76 176.19 2or7 s HIS 100 N -1.13 3.20 0.04 1.38 5.65 -0.69 -4.94 115.29 118.78 2or7 s HIS 100 Ca 0.58 0.03 0.07 0.00 0.25 0.00 0.00 55.06 55.99 2or7 s HIS 100 Cb -0.58 -1.98 -0.02 0.00 -1.18 0.00 0.00 32.58 28.82 2or7 s HIS 100 CO 0.60 0.21 -0.20 -0.06 -0.65 0.00 0.00 174.74 174.64 2or7 s PHE 101 N 0.03 1.78 -0.03 3.88 0.08 -1.26 -0.69 117.98 121.76 2or7 s PHE 101 Ca 0.04 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.71 2or7 s PHE 101 Cb -0.13 -1.07 0.03 0.00 -0.57 0.00 0.00 43.02 41.29 2or7 s PHE 101 CO 0.01 0.07 0.05 0.08 -0.10 0.00 0.00 175.22 175.34 2or7 s VAL 102 N -0.77 -0.07 -0.15 -0.44 1.01 -0.63 -4.98 120.40 114.37 2or7 s VAL 102 Ca 0.07 0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2or7 s VAL 102 Cb -0.09 -0.11 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 2or7 s VAL 102 CO 0.01 0.10 0.01 -1.81 0.00 0.00 0.00 175.10 173.41 2or7 s ASP 103 N 1.24 5.22 0.05 3.32 1.01 -1.26 -1.28 116.67 124.96 2or7 s ASP 103 Ca -0.07 0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.25 2or7 s ASP 103 Cb -0.13 -1.80 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 2or7 s ASP 103 CO -0.03 0.21 -0.16 -0.31 0.21 0.00 0.00 175.17 175.09 2or7 s TYR 104 N 0.13 1.35 -0.28 4.23 2.02 -0.32 -5.00 117.35 119.47 2or7 s TYR 104 Ca 0.02 -0.38 0.03 0.00 -0.37 0.00 0.00 57.07 56.37 2or7 s TYR 104 Cb -0.13 -0.79 0.07 0.00 -0.40 0.00 0.00 41.96 40.71 2or7 s TYR 104 CO 0.02 0.06 -0.06 1.41 -1.57 0.00 0.00 175.55 175.41 2or7 s MET 105 N -1.30 1.96 -0.05 -0.62 -2.45 -1.26 -0.90 119.30 114.69 2or7 s MET 105 Ca 0.02 -1.48 -0.17 0.00 -1.25 0.00 0.00 55.69 52.81 2or7 s MET 105 Cb -0.08 -2.96 -0.05 0.00 1.25 0.00 0.00 34.83 32.99 2or7 s MET 105 CO 0.02 -0.69 0.45 -1.17 1.05 0.00 0.00 175.02 174.68 2or7 s LEU 106 N 1.06 4.38 -0.21 4.11 2.96 0.22 -1.43 118.68 129.78 2or7 s LEU 106 Ca -0.03 0.91 0.00 0.00 -0.22 0.00 0.00 54.13 54.80 2or7 s LEU 106 Cb -0.20 -2.66 0.05 0.00 0.50 0.00 0.00 46.19 43.89 2or7 s LEU 106 CO -0.06 0.17 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.37 2or7 s GLU 107 N -0.28 1.68 -0.26 1.98 2.12 -0.24 -0.50 118.70 123.21 2or7 s GLU 107 Ca 0.25 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.66 2or7 s GLU 107 Cb -0.16 -2.40 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 2or7 s GLU 107 CO 0.12 -0.51 0.14 0.08 -0.54 0.00 0.00 175.26 174.55 2or7 s VAL 108 N 1.46 4.96 0.21 3.70 1.01 -1.26 -0.59 120.40 129.89 2or7 s VAL 108 Ca -0.03 0.05 -0.21 0.00 0.00 0.00 0.00 61.98 61.79 2or7 s VAL 108 Cb -0.17 -3.33 -0.08 0.00 0.00 0.00 0.00 36.38 32.79 2or7 s VAL 108 CO -0.07 0.31 0.74 -0.54 0.00 0.00 0.00 175.10 175.53 2or7 s LYS 109 N 1.50 4.31 0.16 2.72 -0.14 -0.09 -4.54 119.74 123.66 2or7 s LYS 109 Ca 0.06 0.93 -0.14 0.00 -1.36 0.00 0.00 55.97 55.46 2or7 s LYS 109 Cb -0.15 -2.94 0.04 0.00 -1.68 0.00 0.00 37.83 33.10 2or7 s LYS 109 CO 0.07 0.42 1.73 -1.35 -0.76 0.00 0.00 175.35 175.46 2or7 h PRO 110 N 3.57 0.75 -4.73 -1.68 0.11 -1.96 -1.11 132.00 126.95 2or7 h PRO 110 Ca -0.48 -0.12 -0.29 0.00 0.11 0.00 0.00 66.00 65.22 2or7 h PRO 110 Cb 1.20 -0.13 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 2or7 h PRO 110 CO 0.65 0.64 -0.62 -1.83 -0.21 0.00 0.00 178.00 176.63 2or7 s GLU 111 N -5.64 1.28 0.00 1.05 -1.05 -1.26 -4.43 118.70 108.65 2or7 s GLU 111 Ca -0.13 -1.67 0.00 0.00 -0.15 0.00 0.00 54.97 53.02 2or7 s GLU 111 Cb 0.12 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.80 2or7 s GLU 111 CO 0.77 -0.32 0.00 1.28 0.95 0.00 0.00 175.26 177.94