#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 -0.83 -2.16 6.28 4.71 -1.26 -4.81 120.64 122.57 2feb n GLU 2 Ca 0.00 0.55 -0.27 0.00 -0.01 0.00 0.00 57.16 57.43 2feb n GLU 2 Cb 0.00 -1.01 0.13 0.00 -1.01 0.00 0.00 31.44 29.55 2feb n GLU 2 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2feb s GLY 3 N -6.06 1.74 -0.33 0.62 0.00 -1.26 -4.81 107.32 97.22 2feb s GLY 3 Ca 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 44.72 43.41 2feb s GLY 3 CO 0.00 -0.62 0.99 -1.60 0.00 0.00 0.00 173.10 171.87 2feb s ARG 4 N -5.53 0.25 0.17 2.90 3.52 -1.26 -4.99 118.95 114.01 2feb s ARG 4 Ca 0.68 -0.03 0.00 0.00 -0.13 0.00 0.00 55.73 56.25 2feb s ARG 4 Cb -0.06 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 2feb s ARG 4 CO 0.49 -0.38 0.00 1.58 -0.81 0.00 0.00 175.30 176.18 2feb n HIS 5 N 4.06 -2.66 0.00 5.12 -0.00 -1.26 -5.06 115.22 115.42 2feb n HIS 5 Ca 0.07 0.52 0.00 0.00 0.46 0.00 0.00 57.72 58.77 2feb n HIS 5 Cb 0.61 1.52 0.00 0.00 -0.12 0.00 0.00 29.99 32.00 2feb n HIS 5 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 2feb n MET 6 N -2.90 0.00 -4.28 1.57 1.56 -1.26 -5.15 117.12 106.66 2feb n MET 6 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.28 2feb n MET 6 Cb 0.00 0.00 -0.10 0.00 2.15 0.00 0.00 33.22 35.27 2feb n MET 6 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2feb s ALA 7 N -1.49 1.60 -0.84 -5.12 0.00 -1.26 -5.08 121.76 109.58 2feb s ALA 7 Ca 0.00 -1.57 -0.25 0.00 0.00 0.00 0.00 51.96 50.14 2feb s ALA 7 Cb 0.00 0.10 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 2feb s ALA 7 CO 0.00 -0.10 1.94 -1.25 0.00 0.00 0.00 175.76 176.35 2feb s PRO 8 N -3.75 2.55 0.08 0.00 0.04 -1.26 -4.76 135.00 127.90 2feb s PRO 8 Ca 0.20 -0.10 -0.18 0.00 0.04 0.00 0.00 61.00 60.96 2feb s PRO 8 Cb 0.03 -4.93 -0.10 0.00 0.04 0.00 0.00 34.50 29.54 2feb s PRO 8 CO 0.03 -3.27 1.44 0.00 0.04 0.00 0.00 177.00 175.24 2feb h THR 9 N 7.20 1.30 -6.23 1.26 1.03 -1.98 -3.46 112.91 112.03 2feb h THR 9 Ca 0.03 -1.22 -0.42 0.00 -0.01 0.00 0.00 66.41 64.78 2feb h THR 9 Cb 1.04 1.57 0.03 0.00 -1.07 0.00 0.00 68.15 69.72 2feb h THR 9 CO 1.21 0.38 -0.05 -1.84 -0.01 0.00 0.00 175.52 175.21 2feb n GLU 10 N -4.47 0.62 -2.44 0.00 -0.00 -1.26 -5.00 120.64 108.09 2feb n GLU 10 Ca -0.04 -2.73 -0.41 0.00 -0.00 0.00 0.00 57.16 53.98 2feb n GLU 10 Cb 0.36 -0.23 -0.03 0.00 -0.00 0.00 0.00 31.44 31.54 2feb n GLU 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2feb s ASN 11 N -4.18 6.09 0.01 -1.84 3.04 -1.26 -4.91 114.94 111.88 2feb s ASN 11 Ca 0.54 -0.02 -0.06 0.00 0.04 0.00 0.00 52.86 53.37 2feb s ASN 11 Cb -0.04 -2.55 -0.03 0.00 -1.54 0.00 0.00 41.25 37.09 2feb s ASN 11 CO 0.34 -1.80 1.09 0.28 -3.04 0.00 0.00 177.10 173.96 2feb h SER 12 N 10.90 -0.19 0.38 -4.21 0.02 -1.95 -2.36 113.55 116.13 2feb h SER 12 Ca -0.27 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.62 2feb h SER 12 Cb 1.08 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.66 2feb h SER 12 CO 1.22 -0.12 -0.35 0.71 -1.14 0.00 0.00 176.83 177.15 2feb h THR 13 N -0.18 1.22 0.00 -2.27 1.35 -2.04 -3.36 112.91 107.62 2feb h THR 13 Ca -0.02 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 2feb h THR 13 Cb 0.15 1.67 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 2feb h THR 13 CO 0.01 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.24 2feb n GLY 14 N -0.47 -2.46 1.07 5.82 0.00 -1.17 -5.00 105.19 102.99 2feb n GLY 14 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2feb n GLY 14 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2feb n VAL 15 N -0.02 -0.37 0.00 1.61 3.14 -0.90 -4.95 118.33 116.85 2feb n VAL 15 Ca 0.00 0.47 0.00 0.00 -2.96 0.00 0.00 64.34 61.85 2feb n VAL 15 Cb 0.00 -0.77 0.00 0.00 -1.06 0.00 0.00 33.84 32.01 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 -3.66 0.00 -2.74 1.45 1.13 -1.26 -4.67 117.38 107.63 2feb n GLN 16 Ca -0.05 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.92 2feb n GLN 16 Cb 0.49 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.82 2feb n GLN 16 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2feb n ASP 17 N -1.31 2.33 -4.85 1.08 -0.08 -1.26 -4.99 116.55 107.47 2feb n ASP 17 Ca 0.00 -1.66 -0.27 0.00 -1.51 0.00 0.00 54.79 51.35 2feb n ASP 17 Cb 0.00 0.09 -0.05 0.00 2.34 0.00 0.00 41.12 43.51 2feb n ASP 17 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2feb s TYR 19 N -1.70 1.96 -0.17 0.00 -0.85 0.26 -4.23 117.35 112.63 2feb s TYR 19 Ca 0.32 -0.86 -0.19 0.00 -0.52 0.00 0.00 57.07 55.82 2feb s TYR 19 Cb -0.11 -1.74 0.05 0.00 0.38 0.00 0.00 41.96 40.55 2feb s TYR 19 CO 0.25 0.09 0.53 1.03 -1.52 0.00 0.00 175.55 175.93 2feb s ARG 20 N -3.95 0.67 3.09 -3.49 0.52 -1.26 -4.07 118.95 110.46 2feb s ARG 20 Ca 0.19 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 56.00 2feb s ARG 20 Cb 0.02 0.32 0.00 0.00 0.52 0.00 0.00 34.95 35.81 2feb s ARG 20 CO 0.11 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.73 2feb n GLY 21 N 2.44 2.00 0.67 -3.53 0.00 -1.26 -2.97 105.19 102.54 2feb n GLY 21 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.86 2feb n GLY 21 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2feb n ASP 22 N 6.47 -0.00 -2.29 1.61 5.75 -1.26 -4.99 116.55 121.83 2feb n ASP 22 Ca 0.00 -1.61 -0.06 0.00 -0.01 0.00 0.00 54.79 53.11 2feb n ASP 22 Cb 0.00 -0.08 -0.01 0.00 -1.03 0.00 0.00 41.12 40.01 2feb n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2feb n GLY 23 N 0.06 -0.36 0.00 6.12 0.00 -0.97 -3.68 105.19 106.36 2feb n GLY 23 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2feb n GLY 23 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2feb n GLN 24 N -2.47 3.68 -1.86 1.61 -0.06 -1.26 -4.58 117.38 112.44 2feb n GLN 24 Ca -0.07 0.00 -0.15 0.00 -2.00 0.00 0.00 57.00 54.78 2feb n GLN 24 Cb 0.50 0.00 -0.04 0.00 -4.06 0.00 0.00 30.24 26.65 2feb n GLN 24 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2feb n SER 25 N 0.00 -4.67 -2.44 1.69 2.88 -1.26 -2.25 113.62 107.56 2feb n SER 25 Ca 0.00 0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.58 2feb n SER 25 Cb 0.00 -3.66 -0.01 0.00 -0.75 0.00 0.00 64.21 59.80 2feb n SER 25 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 2feb n TYR 26 N -3.29 -1.35 -0.94 0.66 4.01 -1.26 -4.94 117.16 110.05 2feb n TYR 26 Ca -0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.38 2feb n TYR 26 Cb 0.56 -2.97 0.17 0.00 -0.31 0.00 0.00 39.34 36.79 2feb n TYR 26 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2feb n ARG 27 N -2.85 -2.32 0.00 -0.72 1.74 -0.96 -4.95 116.66 106.61 2feb n ARG 27 Ca -0.16 -1.21 0.00 0.00 -0.77 0.00 0.00 57.85 55.70 2feb n ARG 27 Cb 0.62 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.96 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 -2.33 0.46 0.24 -0.13 0.00 -1.26 -4.40 105.19 97.79 2feb n GLY 28 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 2feb n GLY 28 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2feb h THR 29 N 0.00 1.14 -0.35 2.61 1.35 -1.92 -2.35 112.91 113.39 2feb h THR 29 Ca 0.00 -0.61 -0.10 0.00 -0.55 0.00 0.00 66.41 65.15 2feb h THR 29 Cb 0.00 1.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 2feb h THR 29 CO 0.00 0.19 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.19 2feb h LEU 30 N 0.18 0.67 -1.54 3.87 3.38 -1.96 -3.47 115.31 116.45 2feb h LEU 30 Ca 0.04 -0.22 -0.41 0.00 0.09 0.00 0.00 57.88 57.37 2feb h LEU 30 Cb 0.28 -0.18 0.07 0.00 0.09 0.00 0.00 40.66 40.92 2feb h LEU 30 CO 0.01 0.87 -0.79 -1.54 0.09 0.00 0.00 178.44 177.08 2feb n SER 31 N -4.13 -2.41 -1.70 -0.43 3.41 -0.88 -4.96 113.62 102.52 2feb n SER 31 Ca 0.00 -0.75 -0.01 0.00 -0.26 0.00 0.00 58.87 57.85 2feb n SER 31 Cb 0.40 -4.30 -0.00 0.00 -0.26 0.00 0.00 64.21 60.05 2feb n SER 31 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2feb n THR 32 N -4.38 0.00 0.00 6.66 -1.04 -1.26 -4.05 114.28 110.21 2feb n THR 32 Ca -0.21 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 61.70 2feb n THR 32 Cb 0.64 0.03 0.00 0.00 -1.82 0.00 0.00 70.33 69.18 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 -0.04 0.00 0.00 12.58 -2.24 0.33 -4.25 114.28 120.66 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 0.02 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.82 0.00 -2.47 2.28 0.13 -1.22 -1.84 119.36 115.42 2feb n ILE 34 Ca 0.00 0.00 -0.27 0.00 -1.10 0.00 0.00 62.75 61.38 2feb n ILE 34 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.80 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 -1.07 2.38 -1.92 9.51 -1.04 -1.26 -4.34 114.28 116.55 2feb n THR 35 Ca 0.00 -4.93 -0.17 0.00 -2.04 0.00 0.00 64.05 56.91 2feb n THR 35 Cb 0.00 -1.27 -0.04 0.00 -1.82 0.00 0.00 70.33 67.20 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 -0.48 0.66 3.65 3.41 0.00 -1.26 -4.99 105.19 106.18 2feb n GLY 36 Ca 0.39 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 2feb n GLY 36 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2feb s ARG 37 N -4.16 3.30 1.21 1.61 3.52 -1.26 -4.90 118.95 118.26 2feb s ARG 37 Ca 0.00 -0.41 -0.19 0.00 -0.13 0.00 0.00 55.73 55.00 2feb s ARG 37 Cb 0.00 -2.90 0.29 0.00 -1.56 0.00 0.00 34.95 30.78 2feb s ARG 37 CO 0.00 0.55 0.67 0.25 -0.81 0.00 0.00 175.30 175.95 2feb n THR 38 N 2.63 0.00 -1.19 4.11 -2.24 -1.26 0.12 114.28 116.46 2feb n THR 38 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2feb n THR 38 Cb 0.53 -0.76 0.23 0.00 -2.10 0.00 0.00 70.33 68.23 2feb n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2feb n GLN 40 N -0.82 -4.72 -2.70 0.00 1.13 -1.25 -3.73 117.38 105.28 2feb n GLN 40 Ca 0.27 3.41 -0.42 0.00 -1.94 0.00 0.00 57.00 58.32 2feb n GLN 40 Cb 0.96 -3.76 -0.03 0.00 0.11 0.00 0.00 30.24 27.52 2feb n GLN 40 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2feb s SER 41 N -1.98 7.25 -0.56 1.08 0.01 -1.26 -4.58 113.70 113.67 2feb s SER 41 Ca 0.00 1.54 -0.25 0.00 1.31 0.00 0.00 55.95 58.54 2feb s SER 41 Cb 0.00 -2.55 -0.23 0.00 0.21 0.00 0.00 66.02 63.45 2feb s SER 41 CO 0.00 -0.42 1.82 0.79 0.41 0.00 0.00 173.24 175.84 2feb n TRP 42 N 4.86 1.29 0.00 2.43 7.02 -0.99 -0.60 117.44 131.46 2feb n TRP 42 Ca 0.08 -1.32 0.00 0.00 -1.02 0.00 0.00 57.50 55.25 2feb n TRP 42 Cb 0.49 -1.48 0.00 0.00 -2.42 0.00 0.00 31.31 27.90 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 8.78 0.00 -4.52 -0.99 2.88 -1.26 -3.98 113.62 114.53 2feb n SER 43 Ca 0.48 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.60 2feb n SER 43 Cb 0.42 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2feb n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2feb n SER 44 N 0.00 4.84 -4.48 -3.46 2.88 0.23 -4.93 113.62 108.69 2feb n SER 44 Ca 0.00 -2.91 -0.43 0.00 -1.33 0.00 0.00 58.87 54.20 2feb n SER 44 Cb 0.00 -1.74 -0.05 0.00 -0.75 0.00 0.00 64.21 61.67 2feb n SER 44 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2feb s MET 45 N 4.20 3.22 0.06 -1.46 1.00 -1.26 -4.70 119.30 120.35 2feb s MET 45 Ca 0.54 -0.60 0.00 0.00 0.00 0.00 0.00 55.69 55.63 2feb s MET 45 Cb 0.05 -4.10 0.00 0.00 0.00 0.00 0.00 34.83 30.78 2feb s MET 45 CO 0.07 -1.43 0.00 0.25 0.00 0.00 0.00 175.02 173.91 2feb n THR 46 N 5.92 0.00 -0.03 2.05 -2.24 -1.26 -4.98 114.28 113.74 2feb n THR 46 Ca -0.02 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.60 2feb n THR 46 Cb 0.46 -0.04 -0.09 0.00 -2.10 0.00 0.00 70.33 68.57 2feb n THR 46 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2feb h PRO 47 N 0.00 0.47 -2.64 -0.78 0.13 -1.98 -3.47 132.00 123.73 2feb h PRO 47 Ca 0.00 -0.38 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 2feb h PRO 47 Cb 0.00 0.08 -0.20 0.00 0.13 0.00 0.00 31.00 31.01 2feb h PRO 47 CO 0.00 1.01 -0.10 -3.38 -0.23 0.00 0.00 178.00 175.30 2feb s HIS 48 N -3.70 -0.37 -1.01 1.56 -3.43 -1.26 -4.98 115.29 102.10 2feb s HIS 48 Ca -0.13 0.61 -0.23 0.00 -0.80 0.00 0.00 55.06 54.51 2feb s HIS 48 Cb 0.05 0.21 0.04 0.00 -1.43 0.00 0.00 32.58 31.45 2feb s HIS 48 CO 0.81 -0.47 1.51 -1.58 -2.00 0.00 0.00 174.74 173.02 2feb s TRP 49 N -1.22 2.44 0.00 0.38 0.52 -1.26 -4.80 118.94 115.00 2feb s TRP 49 Ca -0.12 -0.67 0.00 0.00 0.02 0.00 0.00 56.10 55.33 2feb s TRP 49 Cb -0.03 -4.62 0.00 0.00 -1.15 0.00 0.00 33.47 27.67 2feb s TRP 49 CO 0.06 -1.91 0.00 -2.39 0.02 0.00 0.00 176.95 172.73 2feb n HIS 50 N 9.51 0.00 -2.92 -1.98 1.44 -1.26 -5.02 115.22 114.99 2feb n HIS 50 Ca 0.34 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.05 2feb n HIS 50 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2feb n HIS 50 CO 0.00 0.00 0.00 2.89 -2.81 0.00 0.00 176.34 176.42 2feb n ARG 51 N 0.00 0.00 -0.92 -1.40 1.85 -1.26 -5.01 116.66 109.92 2feb n ARG 51 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 2feb n ARG 51 Cb 0.00 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 31.48 2feb n ARG 51 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 2feb n ARG 52 N 0.00 -0.24 -4.22 2.89 3.00 -1.26 -4.84 116.66 111.99 2feb n ARG 52 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 57.85 57.66 2feb n ARG 52 Cb 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 32.46 31.11 2feb n ARG 52 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 2feb s ILE 53 N -2.10 0.60 0.00 5.15 -4.36 -1.26 -4.70 121.20 114.53 2feb s ILE 53 Ca 0.44 -1.97 -0.06 0.00 -0.26 0.00 0.00 60.65 58.81 2feb s ILE 53 Cb -0.11 -2.08 -0.07 0.00 1.25 0.00 0.00 42.46 41.45 2feb s ILE 53 CO 0.74 -0.50 1.04 -0.81 0.24 0.00 0.00 174.94 175.65 2feb n PRO 54 N -0.21 0.00 0.00 0.37 -0.04 -1.26 -2.95 135.00 130.92 2feb n PRO 54 Ca -0.07 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 2feb n PRO 54 Cb 0.63 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 2feb n PRO 54 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2feb n LEU 55 N 5.55 0.00 -0.11 1.53 -0.00 -1.26 -4.95 117.00 117.77 2feb n LEU 55 Ca 0.08 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 55.88 2feb n LEU 55 Cb 0.08 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.40 2feb n LEU 55 CO 0.59 0.00 -0.75 -1.22 -0.00 0.00 0.00 177.39 176.01 2feb n TYR 56 N -1.40 0.70 -2.27 1.47 4.02 -1.15 -4.96 117.16 113.57 2feb n TYR 56 Ca 0.00 0.30 -0.32 0.00 -0.01 0.00 0.00 57.90 57.87 2feb n TYR 56 Cb 0.00 -1.01 -0.02 0.00 -0.02 0.00 0.00 39.34 38.29 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 -2.41 3.48 -0.44 -0.72 -0.85 -1.26 -4.95 117.35 110.20 2feb s TYR 57 Ca -0.30 1.43 -0.27 0.00 -0.52 0.00 0.00 57.07 57.41 2feb s TYR 57 Cb 0.08 -2.78 -0.05 0.00 0.38 0.00 0.00 41.96 39.59 2feb s TYR 57 CO 0.52 -0.46 2.19 -1.25 -1.52 0.00 0.00 175.55 175.03 2feb s PRO 58 N -4.32 2.55 -0.91 -3.49 0.04 -1.26 -4.82 135.00 122.80 2feb s PRO 58 Ca 0.58 1.37 -0.33 0.00 0.04 0.00 0.00 61.00 62.67 2feb s PRO 58 Cb -0.10 -4.46 -0.21 0.00 0.04 0.00 0.00 34.50 29.77 2feb s PRO 58 CO 0.36 -2.78 2.61 0.09 0.04 0.00 0.00 177.00 177.32 2feb n ASN 59 N 13.82 0.45 -1.88 6.66 5.03 -1.26 -4.75 115.26 133.33 2feb n ASN 59 Ca 0.30 0.22 -0.17 0.00 0.87 0.00 0.00 54.58 55.80 2feb n ASN 59 Cb 0.51 -0.95 0.13 0.00 -1.02 0.00 0.00 39.78 38.45 2feb n ASN 59 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2feb n ALA 60 N 10.32 4.74 -3.02 5.41 0.00 -1.26 -4.92 120.51 131.79 2feb n ALA 60 Ca 0.63 -2.08 -0.08 0.00 0.00 0.00 0.00 53.44 51.91 2feb n ALA 60 Cb 0.04 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.18 2feb n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2feb n GLY 61 N -0.68 -1.20 3.75 0.00 0.00 -1.26 -4.96 105.19 100.84 2feb n GLY 61 Ca 0.43 0.92 -0.40 0.00 0.00 0.00 0.00 46.02 46.98 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 -3.25 4.44 -1.59 0.99 1.43 -1.26 -4.96 118.68 114.48 2feb s LEU 62 Ca 0.15 1.38 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 2feb s LEU 62 Cb -0.04 -3.16 -0.06 0.00 0.03 0.00 0.00 46.19 42.96 2feb s LEU 62 CO 0.77 0.03 2.80 0.35 0.23 0.00 0.00 176.35 180.53 2feb n THR 63 N 2.81 4.12 0.00 5.49 -2.24 -1.26 -4.86 114.28 118.34 2feb n THR 63 Ca -0.03 -2.68 0.00 0.00 -2.27 0.00 0.00 64.05 59.07 2feb n THR 63 Cb 0.50 -2.62 0.00 0.00 -2.10 0.00 0.00 70.33 66.12 2feb n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2feb n ARG 64 N 4.17 0.00 -2.01 -0.78 1.74 -1.26 -1.20 116.66 117.31 2feb n ARG 64 Ca 0.73 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.80 2feb n ARG 64 Cb 0.27 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.76 2feb n ARG 64 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2feb n ASN 65 N 1.70 1.74 -4.55 0.55 6.94 -1.26 -2.34 115.26 118.04 2feb n ASN 65 Ca 0.00 -2.40 -0.41 0.00 -0.02 0.00 0.00 54.58 51.76 2feb n ASN 65 Cb 0.00 -0.40 -0.03 0.00 -2.36 0.00 0.00 39.78 36.99 2feb n ASN 65 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 2feb s TYR 66 N -2.29 2.20 0.05 -2.53 1.51 -0.34 -3.53 117.35 112.42 2feb s TYR 66 Ca 0.33 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.32 2feb s TYR 66 Cb 0.36 -4.56 -0.07 0.00 -0.11 0.00 0.00 41.96 37.59 2feb s TYR 66 CO -0.08 -2.10 0.24 0.00 -1.11 0.00 0.00 175.55 172.49 2feb n ARG 68 N 0.41 0.22 -3.67 0.00 1.85 -1.26 -4.02 116.66 110.19 2feb n ARG 68 Ca 0.07 -0.76 -0.29 0.00 -1.00 0.00 0.00 57.85 55.87 2feb n ARG 68 Cb 0.08 1.20 -0.15 0.00 -1.05 0.00 0.00 32.46 32.53 2feb n ARG 68 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2feb s ASN 69 N -3.38 3.55 -0.67 2.89 2.20 -1.26 -3.42 114.94 114.85 2feb s ASN 69 Ca 0.25 -1.30 -0.07 0.00 -0.94 0.00 0.00 52.86 50.79 2feb s ASN 69 Cb -0.01 -0.62 -0.06 0.00 -2.00 0.00 0.00 41.25 38.56 2feb s ASN 69 CO 0.00 -0.40 1.83 -0.81 -2.94 0.00 0.00 177.10 174.79 2feb n PRO 70 N 5.04 1.50 0.00 3.55 -0.04 -1.26 -3.94 135.00 139.85 2feb n PRO 70 Ca -0.05 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2feb n PRO 70 Cb 0.43 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2feb n PRO 70 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2feb n ASP 71 N 4.93 0.00 0.00 3.54 8.00 -1.26 -5.16 116.55 126.60 2feb n ASP 71 Ca 0.36 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2feb n ASP 71 Cb 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 2feb n ASP 71 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2feb n ALA 72 N 0.00 0.00 -0.05 2.24 0.00 -1.25 -5.03 120.51 116.42 2feb n ALA 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2feb n ALA 72 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2feb n ALA 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2feb n GLU 73 N 0.00 -0.14 -0.16 0.00 2.13 -1.26 -4.78 120.64 116.43 2feb n GLU 73 Ca 0.00 0.10 -0.04 0.00 0.66 0.00 0.00 57.16 57.88 2feb n GLU 73 Cb 0.00 -0.12 0.05 0.00 0.27 0.00 0.00 31.44 31.64 2feb n GLU 73 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 2feb h ILE 74 N 0.05 0.94 -4.43 6.31 3.07 -1.91 -3.41 117.51 118.13 2feb h ILE 74 Ca 0.00 -0.16 -0.70 0.00 1.55 0.00 0.00 64.86 65.56 2feb h ILE 74 Cb 0.00 0.44 -0.29 0.00 -0.27 0.00 0.00 36.82 36.70 2feb h ILE 74 CO 0.00 0.08 -0.86 -0.60 -1.05 0.00 0.00 178.15 175.72 2feb s ARG 75 N -6.13 2.24 0.97 0.16 3.52 -1.26 -2.30 118.95 116.13 2feb s ARG 75 Ca -0.13 -0.88 -0.16 0.00 -0.13 0.00 0.00 55.73 54.43 2feb s ARG 75 Cb 0.14 -2.12 0.25 0.00 -1.56 0.00 0.00 34.95 31.65 2feb s ARG 75 CO 0.73 0.55 0.58 -0.35 -0.81 0.00 0.00 175.30 176.01 2feb n PRO 76 N 2.47 -3.84 -3.16 5.12 -0.04 -1.26 -4.96 135.00 129.32 2feb n PRO 76 Ca -0.16 -0.98 0.04 0.00 -0.04 0.00 0.00 63.50 62.36 2feb n PRO 76 Cb 0.51 -1.25 -0.00 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.76 -1.81 0.31 0.54 1.48 -1.22 -4.46 118.94 112.01 2feb s TRP 77 Ca 0.45 0.96 0.02 0.00 -1.06 0.00 0.00 56.10 56.47 2feb s TRP 77 Cb -0.08 0.31 -0.02 0.00 -1.16 0.00 0.00 33.47 32.52 2feb s TRP 77 CO 0.37 -1.07 0.32 0.00 -4.06 0.00 0.00 176.95 172.50 2feb n TYR 79 N -0.53 0.00 -3.76 0.00 4.02 -1.24 0.48 117.16 116.13 2feb n TYR 79 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 2feb n TYR 79 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.94 2feb n TYR 79 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2feb n THR 80 N 0.00 0.00 -0.83 -0.72 -2.24 -1.25 -3.96 114.28 105.28 2feb n THR 80 Ca 0.00 -0.79 -0.20 0.00 -2.27 0.00 0.00 64.05 60.79 2feb n THR 80 Cb 0.00 0.50 0.15 0.00 -2.10 0.00 0.00 70.33 68.88 2feb n THR 80 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2feb n MET 81 N -0.27 2.03 -3.84 -0.78 1.56 -1.26 -4.36 117.12 110.20 2feb n MET 81 Ca -0.00 -2.46 -0.13 0.00 -0.27 0.00 0.00 57.70 54.83 2feb n MET 81 Cb 0.27 -1.97 -0.15 0.00 2.15 0.00 0.00 33.22 33.53 2feb n MET 81 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2feb s ASP 82 N -0.88 0.04 -0.72 6.12 -1.08 -1.26 -5.01 116.67 113.88 2feb s ASP 82 Ca 0.47 0.01 -0.07 0.00 -0.52 0.00 0.00 52.55 52.44 2feb s ASP 82 Cb 0.39 -0.03 -0.15 0.00 -1.46 0.00 0.00 42.92 41.68 2feb s ASP 82 CO 0.09 -0.04 3.22 -0.81 0.52 0.00 0.00 175.17 178.15 2feb n PRO 83 N 3.46 2.84 -1.17 4.34 -0.04 -1.26 -3.75 135.00 139.41 2feb n PRO 83 Ca -0.18 -1.74 -0.05 0.00 -0.04 0.00 0.00 63.50 61.49 2feb n PRO 83 Cb 0.56 -2.34 -0.05 0.00 -0.04 0.00 0.00 33.50 31.63 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 2.66 -0.77 0.10 3.54 7.64 -1.26 -4.99 113.62 120.54 2feb n SER 84 Ca 0.58 -2.01 0.00 0.00 1.01 0.00 0.00 58.87 58.44 2feb n SER 84 Cb 0.59 0.25 0.00 0.00 -1.01 0.00 0.00 64.21 64.04 2feb n SER 84 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2feb n VAL 85 N -0.04 0.32 0.00 0.44 0.31 -1.25 -5.03 118.33 113.08 2feb n VAL 85 Ca -0.23 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.20 2feb n VAL 85 Cb 0.76 -0.74 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 2feb n VAL 85 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2feb n ARG 86 N -3.33 0.00 -3.60 5.55 3.00 -1.26 -4.85 116.66 112.17 2feb n ARG 86 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.73 2feb n ARG 86 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2feb n ARG 86 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.63 177.17 2feb s TRP 87 N -0.40 -0.56 0.09 -0.14 -0.11 -1.26 -4.56 118.94 111.99 2feb s TRP 87 Ca 0.00 1.22 -0.25 0.00 1.22 0.00 0.00 56.10 58.29 2feb s TRP 87 Cb 0.00 0.37 0.08 0.00 -1.50 0.00 0.00 33.47 32.42 2feb s TRP 87 CO 0.00 -0.36 0.70 -1.21 -4.62 0.00 0.00 176.95 171.46 2feb s GLU 88 N -0.29 1.12 0.55 5.86 2.02 0.18 -4.92 118.70 123.21 2feb s GLU 88 Ca -0.01 -0.37 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 2feb s GLU 88 Cb -0.03 0.52 0.02 0.00 0.10 0.00 0.00 34.13 34.74 2feb s GLU 88 CO 0.00 -0.48 0.79 0.71 0.02 0.00 0.00 175.26 176.31 2feb s TYR 89 N -3.37 3.03 0.18 1.61 1.51 -1.26 -2.02 117.35 117.03 2feb s TYR 89 Ca 0.01 0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.33 2feb s TYR 89 Cb -0.01 -2.68 -0.03 0.00 -0.11 0.00 0.00 41.96 39.12 2feb s TYR 89 CO -0.10 -0.79 0.27 0.00 -1.11 0.00 0.00 175.55 173.82 2feb n ASN 91 N -0.78 0.50 -3.24 0.00 2.04 -0.76 -4.81 115.26 108.19 2feb n ASN 91 Ca -0.08 -0.29 0.00 0.00 -0.44 0.00 0.00 54.58 53.78 2feb n ASN 91 Cb 0.55 -1.05 -0.03 0.00 -2.53 0.00 0.00 39.78 36.72 2feb n ASN 91 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 2feb s LEU 92 N 8.36 -1.17 -0.02 -4.53 1.02 -1.18 -4.58 118.68 116.59 2feb s LEU 92 Ca 1.23 0.76 0.01 0.00 0.02 0.00 0.00 54.13 56.14 2feb s LEU 92 Cb -0.83 1.89 0.02 0.00 0.02 0.00 0.00 46.19 47.29 2feb s LEU 92 CO 0.42 -0.27 -0.01 0.42 0.02 0.00 0.00 176.35 176.93 2feb s THR 93 N 2.78 0.20 -0.21 5.49 -4.23 -0.53 -4.62 115.64 114.52 2feb s THR 93 Ca 0.17 0.01 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 2feb s THR 93 Cb -0.15 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.40 2feb s THR 93 CO -0.19 0.11 2.01 -0.60 -0.54 0.00 0.00 174.62 175.41 2feb s ARG 94 N 0.61 3.41 0.30 3.99 3.52 -1.26 0.91 118.95 130.43 2feb s ARG 94 Ca -0.06 1.93 -0.06 0.00 -0.13 0.00 0.00 55.73 57.41 2feb s ARG 94 Cb -0.09 -4.26 -0.06 0.00 -1.56 0.00 0.00 34.95 28.99 2feb s ARG 94 CO -0.01 -1.77 0.58 0.00 -0.81 0.00 0.00 175.30 173.29 2feb s PRO 96 N -3.50 4.39 -0.38 0.00 0.04 -1.26 -4.99 135.00 129.31 2feb s PRO 96 Ca 0.45 1.92 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 2feb s PRO 96 Cb -0.11 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.16 2feb s PRO 96 CO 0.29 -0.30 0.66 0.54 0.04 0.00 0.00 177.00 178.23 2feb s VAL 97 N 0.86 4.84 0.28 -0.36 0.11 -1.26 -4.94 120.40 119.94 2feb s VAL 97 Ca 0.60 0.48 0.00 0.00 -2.93 0.00 0.00 61.98 60.13 2feb s VAL 97 Cb -0.33 -4.14 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 2feb s VAL 97 CO 0.31 -0.42 0.00 1.07 -3.33 0.00 0.00 175.10 172.73 2feb n THR 98 N 5.71 0.00 0.01 5.04 5.66 -1.26 -5.03 114.28 124.41 2feb n THR 98 Ca -0.01 0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 2feb n THR 98 Cb 0.48 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 2feb n THR 98 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2feb n GLU 99 N -3.34 0.00 -1.48 1.09 4.07 -1.26 -5.17 120.64 114.55 2feb n GLU 99 Ca -0.01 0.00 0.19 0.00 -0.06 0.00 0.00 57.16 57.28 2feb n GLU 99 Cb 0.62 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.93 2feb n GLU 99 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2feb n SER 100 N -2.17 -8.89 -0.83 4.31 7.64 -1.26 -4.66 113.62 107.76 2feb n SER 100 Ca 0.00 1.06 0.01 0.00 1.01 0.00 0.00 58.87 60.95 2feb n SER 100 Cb 0.00 -4.78 0.18 0.00 -1.01 0.00 0.00 64.21 58.60 2feb n SER 100 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2feb n SER 101 N -4.36 2.22 0.00 6.43 7.64 -1.26 -5.30 113.62 118.99 2feb n SER 101 Ca -0.04 -3.88 0.00 0.00 1.01 0.00 0.00 58.87 55.96 2feb n SER 101 Cb 0.69 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 2feb n SER 101 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36