#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2feb n GLU 2 N 0.00 -3.37 -3.43 9.51 0.00 -1.26 -4.55 120.64 117.54 2feb n GLU 2 Ca 0.00 2.65 -0.20 0.00 0.00 0.00 0.00 57.16 59.62 2feb n GLU 2 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 31.44 27.65 2feb n GLU 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2feb s GLY 3 N -0.64 2.04 0.00 8.31 0.00 -1.26 -4.88 107.32 110.89 2feb s GLY 3 Ca -0.16 -1.80 -0.00 0.00 0.00 0.00 0.00 44.72 42.76 2feb s GLY 3 CO 0.54 -1.62 -0.00 0.54 0.00 0.00 0.00 173.10 172.55 2feb n ARG 4 N -1.62 0.01 -3.47 2.90 1.74 -1.26 -4.73 116.66 110.23 2feb n ARG 4 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.90 2feb n ARG 4 Cb 0.61 -0.18 -0.12 0.00 -1.02 0.00 0.00 32.46 31.75 2feb n ARG 4 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2feb s HIS 5 N -1.06 -0.10 0.00 -1.55 5.04 -1.26 -4.38 115.29 111.98 2feb s HIS 5 Ca -0.00 -0.48 0.00 0.00 -1.54 0.00 0.00 55.06 53.03 2feb s HIS 5 Cb 0.00 -0.66 0.00 0.00 0.04 0.00 0.00 32.58 31.96 2feb s HIS 5 CO 0.01 -0.87 0.00 -1.33 -2.34 0.00 0.00 174.74 170.20 2feb n MET 6 N 5.28 0.00 -4.34 2.88 2.81 -1.26 -5.04 117.12 117.45 2feb n MET 6 Ca -0.04 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.66 2feb n MET 6 Cb 0.44 -0.07 -0.10 0.00 -0.71 0.00 0.00 33.22 32.78 2feb n MET 6 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2feb s ALA 7 N -2.17 2.02 -0.03 3.04 0.00 -1.26 -5.08 121.76 118.27 2feb s ALA 7 Ca 0.00 -1.65 -0.30 0.00 0.00 0.00 0.00 51.96 50.02 2feb s ALA 7 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 2feb s ALA 7 CO 0.00 0.08 1.40 -1.25 0.00 0.00 0.00 175.76 175.99 2feb s PRO 8 N -3.57 4.27 0.44 0.00 0.04 -1.26 -4.47 135.00 130.46 2feb s PRO 8 Ca 0.22 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2feb s PRO 8 Cb -0.01 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.88 2feb s PRO 8 CO 0.07 -0.61 0.00 2.41 0.04 0.00 0.00 177.00 178.91 2feb n THR 9 N 4.85 -4.99 -1.36 1.26 -1.04 -1.26 -4.96 114.28 106.77 2feb n THR 9 Ca 0.13 2.22 0.18 0.00 -2.04 0.00 0.00 64.05 64.55 2feb n THR 9 Cb 0.44 -3.05 -0.05 0.00 -1.82 0.00 0.00 70.33 65.85 2feb n THR 9 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2feb n GLU 10 N -0.59 -2.76 -2.99 -2.82 4.71 -1.26 -4.58 120.64 110.34 2feb n GLU 10 Ca 0.00 1.85 -0.01 0.00 -0.01 0.00 0.00 57.16 58.99 2feb n GLU 10 Cb 0.00 -3.36 -0.01 0.00 -1.01 0.00 0.00 31.44 27.06 2feb n GLU 10 CO 0.00 0.00 0.00 0.27 0.09 0.00 0.00 177.13 177.49 2feb n ASN 11 N -4.32 -6.16 0.00 1.62 0.23 -1.26 -2.04 115.26 103.33 2feb n ASN 11 Ca 0.00 0.97 0.00 0.00 -0.53 0.00 0.00 54.58 55.02 2feb n ASN 11 Cb 0.66 -2.40 0.00 0.00 -2.08 0.00 0.00 39.78 35.96 2feb n ASN 11 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2feb n SER 12 N 2.12 0.00 -0.26 0.53 2.88 -1.26 -3.90 113.62 113.73 2feb n SER 12 Ca -0.08 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.53 2feb n SER 12 Cb 0.20 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.86 2feb n SER 12 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2feb h THR 13 N 0.00 0.52 0.30 2.46 1.35 -1.76 -2.70 112.91 113.09 2feb h THR 13 Ca 0.00 -0.11 -0.01 0.00 -0.55 0.00 0.00 66.41 65.74 2feb h THR 13 Cb 0.00 0.19 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 2feb h THR 13 CO 0.00 0.06 -0.14 1.23 -0.25 0.00 0.00 175.52 176.41 2feb h GLY 14 N 0.31 -0.42 -3.31 5.82 0.00 -1.53 -3.44 103.07 100.50 2feb h GLY 14 Ca 0.44 0.15 -0.55 0.00 0.00 0.00 0.00 47.33 47.37 2feb h GLY 14 CO -0.50 -0.15 0.59 1.55 0.00 0.00 0.00 176.54 178.03 2feb n VAL 15 N -5.06 3.06 0.04 4.60 3.14 -1.02 -4.78 118.33 118.30 2feb n VAL 15 Ca -0.08 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.80 2feb n VAL 15 Cb 0.26 -1.69 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 2feb n VAL 15 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2feb n GLN 16 N -0.39 0.00 -0.93 1.45 3.00 -1.26 -4.76 117.38 114.49 2feb n GLN 16 Ca 0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.73 2feb n GLN 16 Cb 0.42 -0.18 0.13 0.00 0.00 0.00 0.00 30.24 30.61 2feb n GLN 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 2feb n ASP 17 N -2.94 -0.34 -4.85 1.08 -0.08 -1.26 -4.77 116.55 103.40 2feb n ASP 17 Ca 0.00 0.47 -0.28 0.00 -1.51 0.00 0.00 54.79 53.48 2feb n ASP 17 Cb 0.13 -1.38 -0.05 0.00 2.34 0.00 0.00 41.12 42.16 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2feb n TYR 19 N -0.15 -1.56 -3.75 0.00 0.18 0.56 -4.32 117.16 108.12 2feb n TYR 19 Ca -0.08 -1.56 -0.15 0.00 1.88 0.00 0.00 57.90 58.00 2feb n TYR 19 Cb 0.53 -0.34 -0.15 0.00 -0.38 0.00 0.00 39.34 39.00 2feb n TYR 19 CO 0.00 0.00 0.00 1.03 -2.08 0.00 0.00 176.86 175.81 2feb s ARG 20 N -3.69 0.03 5.66 -3.48 0.52 -1.26 -4.06 118.95 112.68 2feb s ARG 20 Ca 0.31 0.31 0.00 0.00 -0.52 0.00 0.00 55.73 55.83 2feb s ARG 20 Cb -0.02 -0.23 0.00 0.00 0.52 0.00 0.00 34.95 35.22 2feb s ARG 20 CO 0.19 -0.18 0.00 0.41 0.02 0.00 0.00 175.30 175.74 2feb n GLY 21 N 4.31 3.62 3.45 -3.53 0.00 -1.26 -3.67 105.19 108.11 2feb n GLY 21 Ca -0.25 0.13 -0.44 0.00 0.00 0.00 0.00 46.02 45.47 2feb n GLY 21 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2feb s ASP 22 N -4.00 6.64 0.37 1.61 -4.77 -1.26 -4.88 116.67 110.39 2feb s ASP 22 Ca 0.00 -2.09 0.29 0.00 -3.30 0.00 0.00 52.55 47.45 2feb s ASP 22 Cb 0.00 -2.39 1.24 0.00 -1.09 0.00 0.00 42.92 40.68 2feb s ASP 22 CO 0.00 -1.04 1.26 0.61 0.70 0.00 0.00 175.17 176.70 2feb n GLY 23 N 5.41 -0.70 0.00 2.12 0.00 -1.18 -1.92 105.19 108.93 2feb n GLY 23 Ca 0.24 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.86 2feb n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2feb n GLN 24 N -4.17 0.00 -1.83 1.61 0.00 -1.24 -4.64 117.38 107.13 2feb n GLN 24 Ca 0.33 0.01 -0.14 0.00 0.00 0.00 0.00 57.00 57.19 2feb n GLN 24 Cb 1.34 -0.92 -0.04 0.00 0.00 0.00 0.00 30.24 30.62 2feb n GLN 24 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 2feb n SER 25 N -0.52 -4.05 0.00 2.61 3.41 -0.81 -4.03 113.62 110.24 2feb n SER 25 Ca 0.00 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 2feb n SER 25 Cb 0.00 -3.60 0.00 0.00 -0.26 0.00 0.00 64.21 60.35 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2feb n TYR 26 N -2.59 0.00 -0.27 7.33 4.02 -1.26 -4.79 117.16 119.60 2feb n TYR 26 Ca -0.16 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.59 2feb n TYR 26 Cb 0.54 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.00 2feb n TYR 26 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2feb n ARG 27 N 0.00 -2.10 0.11 -0.72 1.74 -1.26 -4.49 116.66 109.94 2feb n ARG 27 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 2feb n ARG 27 Cb 0.00 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 2feb n ARG 27 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2feb n GLY 28 N -2.08 -0.48 5.00 -0.13 0.00 -1.19 -4.55 105.19 101.76 2feb n GLY 28 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2feb n GLY 28 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2feb n THR 29 N -3.16 0.00 -0.22 2.61 -2.24 -1.26 -4.48 114.28 105.53 2feb n THR 29 Ca 0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2feb n THR 29 Cb 0.00 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.33 2feb n THR 29 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2feb h LEU 30 N 0.00 -0.43 -1.47 3.22 -0.00 -1.91 -3.46 115.31 111.26 2feb h LEU 30 Ca 0.00 0.18 -0.40 0.00 -0.00 0.00 0.00 57.88 57.66 2feb h LEU 30 Cb 0.00 0.35 0.08 0.00 -0.00 0.00 0.00 40.66 41.09 2feb h LEU 30 CO 0.00 -0.17 -0.78 -0.24 -0.00 0.00 0.00 178.44 177.25 2feb n SER 31 N -5.36 -2.78 0.00 0.17 2.88 -1.26 -4.92 113.62 102.35 2feb n SER 31 Ca 0.10 -0.72 0.00 0.00 -1.33 0.00 0.00 58.87 56.92 2feb n SER 31 Cb 0.38 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.37 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2feb n THR 32 N -4.41 0.00 0.00 2.46 -1.04 -1.26 -4.33 114.28 105.70 2feb n THR 32 Ca -0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2feb n THR 32 Cb 0.63 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 2feb n THR 32 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2feb n THR 33 N 0.00 0.00 0.00 12.58 -2.24 0.52 -2.58 114.28 122.56 2feb n THR 33 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2feb n THR 33 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2feb n THR 33 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n ILE 34 N -0.88 0.00 -1.42 2.28 0.13 -1.24 -0.00 119.36 118.22 2feb n ILE 34 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 62.75 61.70 2feb n ILE 34 Cb 0.00 -0.08 0.20 0.00 -0.84 0.00 0.00 39.64 38.92 2feb n ILE 34 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 2feb n THR 35 N -1.74 2.23 0.00 9.51 -1.04 -1.26 -4.80 114.28 117.18 2feb n THR 35 Ca 0.00 -2.85 0.00 0.00 -2.04 0.00 0.00 64.05 59.16 2feb n THR 35 Cb 0.00 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 2feb n THR 35 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2feb n GLY 36 N -1.15 2.11 3.50 3.41 0.00 -1.26 -5.07 105.19 106.73 2feb n GLY 36 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 2feb n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2feb n ARG 37 N -0.07 -0.07 -2.60 1.61 3.00 -1.26 -4.61 116.66 112.66 2feb n ARG 37 Ca 0.00 0.03 -0.23 0.00 -0.01 0.00 0.00 57.85 57.64 2feb n ARG 37 Cb 0.00 -1.99 0.10 0.00 0.00 0.00 0.00 32.46 30.57 2feb n ARG 37 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2feb s THR 38 N -2.24 2.19 -1.91 0.55 -4.23 -1.26 -0.35 115.64 108.38 2feb s THR 38 Ca 0.63 -0.61 0.31 0.00 -1.18 0.00 0.00 61.69 60.84 2feb s THR 38 Cb -0.26 -2.58 0.80 0.00 1.34 0.00 0.00 72.50 71.79 2feb s THR 38 CO 0.61 0.00 2.15 0.00 -0.54 0.00 0.00 174.62 176.85 2feb n GLN 40 N -0.98 -2.67 -1.77 0.00 1.13 -1.15 -3.26 117.38 108.68 2feb n GLN 40 Ca 0.21 2.16 -0.37 0.00 -1.94 0.00 0.00 57.00 57.07 2feb n GLN 40 Cb 0.16 -2.28 -0.05 0.00 0.11 0.00 0.00 30.24 28.18 2feb n GLN 40 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2feb n SER 41 N 0.92 3.18 -1.49 1.08 7.64 -1.26 -4.08 113.62 119.60 2feb n SER 41 Ca 0.00 -2.73 -0.07 0.00 1.01 0.00 0.00 58.87 57.08 2feb n SER 41 Cb 0.00 -1.50 -0.07 0.00 -1.01 0.00 0.00 64.21 61.63 2feb n SER 41 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2feb n TRP 42 N 10.42 0.00 0.00 1.43 7.02 -1.26 -0.55 117.44 134.51 2feb n TRP 42 Ca 0.48 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.96 2feb n TRP 42 Cb 0.44 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.16 2feb n TRP 42 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 2feb n SER 43 N 1.81 0.00 -4.57 -0.99 2.88 -1.26 -4.58 113.62 106.91 2feb n SER 43 Ca 0.21 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 2feb n SER 43 Cb 0.06 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.50 2feb n SER 43 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2feb s SER 44 N 0.00 6.64 -0.61 -3.46 0.01 0.29 -4.94 113.70 111.63 2feb s SER 44 Ca 0.00 -1.91 -0.21 0.00 1.31 0.00 0.00 55.95 55.14 2feb s SER 44 Cb 0.00 -2.57 0.08 0.00 0.21 0.00 0.00 66.02 63.73 2feb s SER 44 CO 0.00 -1.37 0.84 -0.04 0.41 0.00 0.00 173.24 173.07 2feb s MET 45 N 4.66 3.11 0.19 12.44 -1.94 -1.26 -4.67 119.30 131.83 2feb s MET 45 Ca 0.50 -0.94 0.00 0.00 -1.71 0.00 0.00 55.69 53.54 2feb s MET 45 Cb 0.02 -4.21 0.00 0.00 2.01 0.00 0.00 34.83 32.65 2feb s MET 45 CO -0.01 -1.63 0.00 -2.37 -0.01 0.00 0.00 175.02 171.00 2feb n THR 46 N 5.79 0.00 0.01 2.05 5.66 -1.26 -4.97 114.28 121.56 2feb n THR 46 Ca -0.05 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.76 2feb n THR 46 Cb 0.45 -0.11 -0.10 0.00 -1.55 0.00 0.00 70.33 69.02 2feb n THR 46 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2feb h PRO 47 N 0.00 0.59 -3.44 1.09 0.13 -1.99 -3.47 132.00 124.91 2feb h PRO 47 Ca 0.00 -0.59 -0.09 0.00 -0.87 0.00 0.00 66.00 64.45 2feb h PRO 47 Cb 0.00 0.16 -0.16 0.00 0.13 0.00 0.00 31.00 31.13 2feb h PRO 47 CO 0.00 1.21 -0.26 -3.38 -0.23 0.00 0.00 178.00 175.34 2feb s HIS 48 N -3.39 -0.05 0.82 1.56 -3.43 -1.26 -4.92 115.29 104.62 2feb s HIS 48 Ca -0.11 -0.18 -0.13 0.00 -0.80 0.00 0.00 55.06 53.83 2feb s HIS 48 Cb 0.06 0.08 0.07 0.00 -1.43 0.00 0.00 32.58 31.36 2feb s HIS 48 CO 0.87 -0.54 1.06 0.91 -2.00 0.00 0.00 174.74 175.05 2feb n TRP 49 N 0.33 0.80 -3.31 0.38 7.02 -1.26 -4.71 117.44 116.69 2feb n TRP 49 Ca -0.17 0.39 -0.11 0.00 -1.02 0.00 0.00 57.50 56.59 2feb n TRP 49 Cb 0.61 -2.05 0.02 0.00 -2.42 0.00 0.00 31.31 27.46 2feb n TRP 49 CO 0.00 0.00 0.00 0.72 -2.02 0.00 0.00 177.69 176.39 2feb n HIS 50 N -3.32 -1.97 -1.38 -5.99 8.25 -1.26 -5.04 115.22 104.50 2feb n HIS 50 Ca 0.12 -1.04 0.00 0.00 -0.26 0.00 0.00 57.72 56.54 2feb n HIS 50 Cb 0.51 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2feb n HIS 50 CO 0.00 0.00 0.00 2.89 0.64 0.00 0.00 176.34 179.87 2feb n ARG 51 N -1.38 3.65 -0.95 -0.41 1.85 -1.26 -4.90 116.66 113.25 2feb n ARG 51 Ca 0.04 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.46 2feb n ARG 51 Cb 0.29 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.62 2feb n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2feb n ARG 52 N 0.00 0.90 -0.72 2.89 1.74 -1.26 -4.91 116.66 115.30 2feb n ARG 52 Ca 0.00 -1.55 -0.32 0.00 -0.77 0.00 0.00 57.85 55.21 2feb n ARG 52 Cb 0.00 -2.82 0.15 0.00 -1.02 0.00 0.00 32.46 28.78 2feb n ARG 52 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2feb n ILE 53 N 6.53 0.00 -0.31 0.55 -5.35 -1.26 -4.60 119.36 114.92 2feb n ILE 53 Ca 0.48 -0.21 -0.22 0.00 -0.27 0.00 0.00 62.75 62.53 2feb n ILE 53 Cb 0.41 -0.70 -0.06 0.00 -1.74 0.00 0.00 39.64 37.55 2feb n ILE 53 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 2feb n PRO 54 N -2.43 0.00 0.00 6.28 -0.04 -1.26 -2.92 135.00 134.63 2feb n PRO 54 Ca 0.06 -0.71 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2feb n PRO 54 Cb 0.55 -2.17 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 2feb n PRO 54 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 2feb n LEU 55 N 6.81 0.00 -0.13 1.53 7.94 -1.26 -4.96 117.00 126.93 2feb n LEU 55 Ca 0.23 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.88 2feb n LEU 55 Cb 0.22 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.07 2feb n LEU 55 CO 0.82 0.00 -1.39 -1.22 -1.11 0.00 0.00 177.39 174.49 2feb n TYR 56 N -1.02 0.00 -2.45 1.96 4.02 -1.15 -4.99 117.16 113.54 2feb n TYR 56 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.58 2feb n TYR 56 Cb 0.00 -0.96 -0.03 0.00 -0.02 0.00 0.00 39.34 38.34 2feb n TYR 56 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 2feb s TYR 57 N -2.49 3.49 -0.18 -0.72 1.13 -1.26 -4.96 117.35 112.36 2feb s TYR 57 Ca -0.36 1.30 -0.33 0.00 -1.41 0.00 0.00 57.07 56.27 2feb s TYR 57 Cb 0.13 -2.67 -0.10 0.00 -1.10 0.00 0.00 41.96 38.21 2feb s TYR 57 CO 0.50 -0.34 2.02 -0.35 -2.51 0.00 0.00 175.55 174.87 2feb n PRO 58 N -1.71 1.88 -1.51 -3.49 -0.04 -1.26 -4.73 135.00 124.14 2feb n PRO 58 Ca 0.05 0.63 -0.30 0.00 -0.04 0.00 0.00 63.50 63.84 2feb n PRO 58 Cb 0.54 -2.72 -0.17 0.00 -0.04 0.00 0.00 33.50 31.11 2feb n PRO 58 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2feb n ASN 59 N 8.41 -0.21 -0.02 3.54 5.03 -1.26 -4.77 115.26 125.98 2feb n ASN 59 Ca 0.28 -0.33 -0.00 0.00 0.87 0.00 0.00 54.58 55.40 2feb n ASN 59 Cb 0.31 -0.86 -0.00 0.00 -1.02 0.00 0.00 39.78 38.21 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2feb h ALA 60 N 12.19 0.00 0.00 5.41 0.00 -1.99 -3.50 119.26 131.37 2feb h ALA 60 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2feb h ALA 60 Cb 1.20 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2feb h ALA 60 CO 1.45 0.05 0.00 0.41 0.00 0.00 0.00 179.25 181.15 2feb n GLY 61 N 1.86 -0.05 3.65 0.00 0.00 -1.26 -5.11 105.19 104.28 2feb n GLY 61 Ca -0.01 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2feb n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2feb s LEU 62 N 0.00 4.24 -1.59 0.99 1.43 -1.26 -4.85 118.68 117.63 2feb s LEU 62 Ca 0.00 2.47 -0.10 0.00 -1.03 0.00 0.00 54.13 55.47 2feb s LEU 62 Cb 0.00 -3.53 -0.08 0.00 0.03 0.00 0.00 46.19 42.61 2feb s LEU 62 CO 0.00 -1.21 2.91 0.41 0.23 0.00 0.00 176.35 178.69 2feb n THR 63 N 5.96 4.22 -1.86 5.49 -1.04 -1.26 -4.93 114.28 120.86 2feb n THR 63 Ca 0.21 -2.54 0.00 0.00 -2.04 0.00 0.00 64.05 59.68 2feb n THR 63 Cb 0.42 -2.60 0.00 0.00 -1.82 0.00 0.00 70.33 66.33 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2feb n ARG 64 N 3.68 0.00 -1.38 -2.82 3.00 -1.26 -2.33 116.66 115.54 2feb n ARG 64 Ca 0.77 0.00 -0.28 0.00 -0.01 0.00 0.00 57.85 58.32 2feb n ARG 64 Cb 0.23 0.00 0.02 0.00 0.00 0.00 0.00 32.46 32.71 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2feb n ASN 65 N 3.34 6.95 -4.13 0.55 6.94 -1.26 -4.11 115.26 123.53 2feb n ASN 65 Ca 0.00 -3.42 -0.43 0.00 -0.02 0.00 0.00 54.58 50.71 2feb n ASN 65 Cb 0.00 -1.10 0.00 0.00 -2.36 0.00 0.00 39.78 36.32 2feb n ASN 65 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 2feb n TYR 66 N 0.08 3.80 0.00 -2.53 4.01 -0.99 -3.40 117.16 118.14 2feb n TYR 66 Ca 0.48 -3.06 0.00 0.00 -0.16 0.00 0.00 57.90 55.16 2feb n TYR 66 Cb 0.52 -1.97 0.00 0.00 -0.31 0.00 0.00 39.34 37.58 2feb n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2feb s ARG 68 N 0.00 0.83 0.13 0.00 1.70 -1.26 -3.27 118.95 117.08 2feb s ARG 68 Ca 0.00 -0.38 0.07 0.00 -0.47 0.00 0.00 55.73 54.95 2feb s ARG 68 Cb 0.00 0.34 -0.04 0.00 -0.57 0.00 0.00 34.95 34.68 2feb s ARG 68 CO 0.00 -0.37 -0.15 0.54 -1.08 0.00 0.00 175.30 174.23 2feb s ASN 69 N -2.63 2.17 0.35 -2.89 4.22 -1.26 -3.92 114.94 110.98 2feb s ASN 69 Ca 0.09 -0.80 0.18 0.00 -2.14 0.00 0.00 52.86 50.18 2feb s ASN 69 Cb -0.01 -0.09 0.56 0.00 1.28 0.00 0.00 41.25 43.00 2feb s ASN 69 CO -0.05 -0.10 1.68 1.55 -2.04 0.00 0.00 177.10 178.14 2feb h PRO 70 N 3.55 0.00 0.00 3.55 0.13 -1.97 -3.45 132.00 133.81 2feb h PRO 70 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2feb h PRO 70 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2feb h PRO 70 CO 0.49 0.41 0.00 -3.47 -0.23 0.00 0.00 178.00 175.20 2feb n ASP 71 N -3.48 0.22 -3.82 1.44 2.03 -1.26 -5.13 116.55 106.55 2feb n ASP 71 Ca 0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.05 2feb n ASP 71 Cb 0.55 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.79 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2feb s ALA 72 N -2.18 1.16 -0.30 -1.67 0.00 -1.26 -4.95 121.76 112.56 2feb s ALA 72 Ca 0.00 -0.60 0.06 0.00 0.00 0.00 0.00 51.96 51.42 2feb s ALA 72 Cb 0.00 -1.02 0.20 0.00 0.00 0.00 0.00 23.12 22.29 2feb s ALA 72 CO 0.00 -0.76 0.59 -2.00 0.00 0.00 0.00 175.76 173.58 2feb s GLU 73 N 1.78 0.58 0.00 0.00 2.12 -1.26 -5.08 118.70 116.84 2feb s GLU 73 Ca 0.02 0.46 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2feb s GLU 73 Cb -0.15 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.46 2feb s GLU 73 CO -0.07 -1.06 0.00 0.44 -0.54 0.00 0.00 175.26 174.03 2feb n ILE 74 N 5.33 0.00 -4.59 -3.70 -5.35 -1.26 -4.18 119.36 105.61 2feb n ILE 74 Ca 0.05 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.21 2feb n ILE 74 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.33 2feb n ILE 74 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2feb s ARG 75 N 0.00 2.60 1.03 6.28 1.70 -1.26 -3.08 118.95 126.22 2feb s ARG 75 Ca 0.00 -0.66 -0.25 0.00 -0.47 0.00 0.00 55.73 54.35 2feb s ARG 75 Cb 0.00 -2.51 -0.11 0.00 -0.57 0.00 0.00 34.95 31.77 2feb s ARG 75 CO 0.00 0.63 -1.07 -0.35 -1.08 0.00 0.00 175.30 173.43 2feb n PRO 76 N 1.90 -0.45 -3.36 3.89 -0.04 -1.26 -4.82 135.00 130.87 2feb n PRO 76 Ca -0.17 -0.13 -0.14 0.00 -0.04 0.00 0.00 63.50 63.03 2feb n PRO 76 Cb 0.53 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.70 2feb n PRO 76 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2feb s TRP 77 N -2.07 -0.70 0.26 0.54 1.48 -1.25 -3.86 118.94 113.33 2feb s TRP 77 Ca 0.42 0.05 0.05 0.00 -1.06 0.00 0.00 56.10 55.57 2feb s TRP 77 Cb 0.03 -0.33 -0.02 0.00 -1.16 0.00 0.00 33.47 31.99 2feb s TRP 77 CO 0.67 -0.95 0.23 0.00 -4.06 0.00 0.00 176.95 172.84 2feb n TYR 79 N -0.48 -1.07 -4.10 0.00 4.01 -1.20 0.10 117.16 114.42 2feb n TYR 79 Ca 0.06 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.67 2feb n TYR 79 Cb 0.46 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.43 2feb n TYR 79 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2feb s THR 80 N 0.50 0.00 -0.40 -0.72 -4.23 -1.20 -2.95 115.64 106.64 2feb s THR 80 Ca 0.00 -1.65 -0.03 0.00 -1.18 0.00 0.00 61.69 58.82 2feb s THR 80 Cb 0.00 -2.47 0.10 0.00 1.34 0.00 0.00 72.50 71.47 2feb s THR 80 CO 0.00 0.00 2.58 0.80 -0.54 0.00 0.00 174.62 177.46 2feb n MET 81 N -0.45 2.21 -4.15 3.99 1.56 -1.25 -4.65 117.12 114.38 2feb n MET 81 Ca 0.01 -2.07 -0.15 0.00 -0.27 0.00 0.00 57.70 55.21 2feb n MET 81 Cb 0.63 -1.99 -0.14 0.00 2.15 0.00 0.00 33.22 33.87 2feb n MET 81 CO 0.00 0.00 0.00 -0.51 -0.73 0.00 0.00 175.97 174.73 2feb s ASP 82 N 0.34 0.67 -0.14 6.12 1.11 -1.26 -4.90 116.67 118.61 2feb s ASP 82 Ca 0.51 -0.17 -0.02 0.00 0.18 0.00 0.00 52.55 53.05 2feb s ASP 82 Cb 0.34 -0.05 0.02 0.00 1.07 0.00 0.00 42.92 44.30 2feb s ASP 82 CO -0.15 0.02 2.37 -0.81 1.18 0.00 0.00 175.17 177.79 2feb n PRO 83 N 2.71 1.55 -0.80 8.23 -0.04 -1.26 -3.49 135.00 141.91 2feb n PRO 83 Ca -0.14 -0.88 -0.04 0.00 -0.04 0.00 0.00 63.50 62.40 2feb n PRO 83 Cb 0.58 -1.47 -0.04 0.00 -0.04 0.00 0.00 33.50 32.52 2feb n PRO 83 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2feb n SER 84 N 1.27 -0.59 -3.22 3.54 7.64 -1.26 -5.05 113.62 115.95 2feb n SER 84 Ca 0.21 -1.59 -0.15 0.00 1.01 0.00 0.00 58.87 58.36 2feb n SER 84 Cb 0.60 0.18 -0.06 0.00 -1.01 0.00 0.00 64.21 63.92 2feb n SER 84 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2feb s VAL 85 N 0.00 -0.40 0.66 0.44 -7.23 -1.23 -4.97 120.40 107.67 2feb s VAL 85 Ca 0.00 -1.28 0.40 0.00 -1.81 0.00 0.00 61.98 59.30 2feb s VAL 85 Cb 0.00 -0.58 0.42 0.00 0.56 0.00 0.00 36.38 36.77 2feb s VAL 85 CO 0.00 -0.55 2.29 -0.09 -0.31 0.00 0.00 175.10 176.45 2feb h ARG 86 N 6.26 0.00 -2.32 4.82 2.43 -1.96 -3.35 114.38 120.25 2feb h ARG 86 Ca 0.10 0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2feb h ARG 86 Cb 1.05 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.43 2feb h ARG 86 CO 0.18 0.00 0.30 -0.46 -1.51 0.00 0.00 179.97 178.49 2feb s TRP 87 N -4.23 -0.52 0.18 2.20 -0.11 -1.26 -4.64 118.94 110.56 2feb s TRP 87 Ca -0.05 0.62 -0.23 0.00 1.22 0.00 0.00 56.10 57.66 2feb s TRP 87 Cb 0.13 0.49 0.06 0.00 -1.50 0.00 0.00 33.47 32.65 2feb s TRP 87 CO 0.42 -0.64 0.72 -1.21 -4.62 0.00 0.00 176.95 171.61 2feb s GLU 88 N -2.38 1.37 0.61 5.86 0.41 0.11 -4.91 118.70 119.76 2feb s GLU 88 Ca -0.03 -0.63 -0.00 0.00 -0.41 0.00 0.00 54.97 53.90 2feb s GLU 88 Cb -0.01 0.55 0.12 0.00 -1.78 0.00 0.00 34.13 33.01 2feb s GLU 88 CO -0.02 -0.61 0.83 0.66 -0.49 0.00 0.00 175.26 175.62 2feb n TYR 89 N -0.40 -3.01 -4.64 1.61 4.02 -1.26 -2.25 117.16 111.23 2feb n TYR 89 Ca -0.11 -1.47 -0.27 0.00 -0.01 0.00 0.00 57.90 56.04 2feb n TYR 89 Cb 0.62 -0.61 -0.14 0.00 -0.02 0.00 0.00 39.34 39.20 2feb n TYR 89 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2feb n ASN 91 N 1.56 1.30 -3.57 0.00 6.94 1.00 -4.81 115.26 117.68 2feb n ASN 91 Ca -0.18 -0.79 -0.01 0.00 -0.02 0.00 0.00 54.58 53.58 2feb n ASN 91 Cb 0.53 -1.37 -0.04 0.00 -2.36 0.00 0.00 39.78 36.54 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2feb s LEU 92 N 11.02 -1.14 0.07 -4.53 1.02 -1.19 -4.67 118.68 119.25 2feb s LEU 92 Ca 1.06 1.40 -0.04 0.00 0.02 0.00 0.00 54.13 56.58 2feb s LEU 92 Cb -0.40 2.19 -0.02 0.00 0.02 0.00 0.00 46.19 47.97 2feb s LEU 92 CO 0.27 -0.23 0.06 0.42 0.02 0.00 0.00 176.35 176.89 2feb s THR 93 N 2.86 0.19 -0.17 5.49 -4.23 -0.01 -4.63 115.64 115.14 2feb s THR 93 Ca -0.01 -1.56 -0.29 0.00 -1.18 0.00 0.00 61.69 58.65 2feb s THR 93 Cb -0.13 -1.47 -0.05 0.00 1.34 0.00 0.00 72.50 72.19 2feb s THR 93 CO -0.19 -0.84 2.06 -0.13 -0.54 0.00 0.00 174.62 174.98 2feb s ARG 94 N -3.90 3.44 0.03 3.99 0.52 -1.26 0.21 118.95 121.98 2feb s ARG 94 Ca 0.07 2.06 -0.18 0.00 -0.52 0.00 0.00 55.73 57.16 2feb s ARG 94 Cb 0.07 -4.27 -0.06 0.00 0.52 0.00 0.00 34.95 31.20 2feb s ARG 94 CO -0.10 -1.74 0.53 0.00 0.02 0.00 0.00 175.30 174.01 2feb s PRO 96 N -0.87 3.19 -0.21 0.00 0.04 -1.26 -4.93 135.00 130.96 2feb s PRO 96 Ca 0.28 1.99 0.09 0.00 0.04 0.00 0.00 61.00 63.40 2feb s PRO 96 Cb -0.18 -2.16 0.62 0.00 0.04 0.00 0.00 34.50 32.82 2feb s PRO 96 CO 0.17 -1.08 1.52 1.55 0.04 0.00 0.00 177.00 179.20 2feb n VAL 97 N -1.14 2.26 0.00 -0.36 3.14 -1.26 -4.96 118.33 116.01 2feb n VAL 97 Ca 0.11 -1.16 0.00 0.00 -2.96 0.00 0.00 64.34 60.33 2feb n VAL 97 Cb 0.47 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.88 2feb n VAL 97 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 2feb n THR 98 N 0.26 0.00 0.00 1.55 -1.04 -1.26 -4.80 114.28 108.99 2feb n THR 98 Ca 0.26 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 2feb n THR 98 Cb 1.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.58 2feb n THR 98 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2feb n GLU 99 N 0.00 0.00 -2.55 -2.82 1.02 -1.26 -4.65 120.64 110.38 2feb n GLU 99 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 2feb n GLU 99 Cb 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2feb n GLU 99 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2feb n SER 100 N 1.73 -5.01 -2.68 1.62 7.64 -1.26 -4.87 113.62 110.78 2feb n SER 100 Ca 0.00 0.01 0.02 0.00 1.01 0.00 0.00 58.87 59.91 2feb n SER 100 Cb 0.00 -4.18 0.01 0.00 -1.01 0.00 0.00 64.21 59.03 2feb n SER 100 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2feb n SER 101 N -2.01 -0.70 0.00 6.43 3.41 -1.26 -5.32 113.62 114.17 2feb n SER 101 Ca -0.18 -1.14 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 2feb n SER 101 Cb 0.64 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 2feb n SER 101 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21