#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt n SER 2 N 0.00 0.26 -4.92 1.61 7.64 -1.26 -4.94 113.62 112.00 2edt n SER 2 Ca 0.00 1.14 -0.26 0.00 1.01 0.00 0.00 58.87 60.77 2edt n SER 2 Cb 0.00 -1.05 0.07 0.00 -1.01 0.00 0.00 64.21 62.22 2edt n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2edt s SER 3 N -0.24 4.80 0.00 6.43 0.15 -1.26 -4.95 113.70 118.62 2edt s SER 3 Ca 0.77 0.46 0.00 0.00 0.70 0.00 0.00 55.95 57.88 2edt s SER 3 Cb -1.01 -1.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 2edt s SER 3 CO 0.55 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 173.98 2edt n GLY 4 N -2.93 -0.89 3.39 9.45 0.00 -1.26 -4.94 105.19 108.00 2edt n GLY 4 Ca 0.08 -1.97 -0.49 0.00 0.00 0.00 0.00 46.02 43.64 2edt n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2edt n SER 5 N 0.00 0.54 -3.77 1.61 3.41 -1.26 -4.87 113.62 109.27 2edt n SER 5 Ca 0.00 0.39 -0.13 0.00 -0.26 0.00 0.00 58.87 58.88 2edt n SER 5 Cb 0.00 -0.92 -0.12 0.00 -0.26 0.00 0.00 64.21 62.91 2edt n SER 5 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2edt s SER 6 N 7.71 -0.29 0.00 4.04 0.01 -1.26 -5.09 113.70 118.82 2edt s SER 6 Ca 1.28 0.55 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2edt s SER 6 Cb -1.35 0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2edt s SER 6 CO 0.56 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.71 2edt n GLY 7 N 3.21 -0.18 3.62 3.44 0.00 -1.26 -5.14 105.19 108.89 2edt n GLY 7 Ca -0.15 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.48 2edt n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 8 N 0.00 -0.61 -0.17 1.61 0.04 -1.26 -5.02 135.00 129.60 2edt s PRO 8 Ca 0.00 0.16 -0.17 0.00 0.04 0.00 0.00 61.00 61.03 2edt s PRO 8 Cb 0.00 -1.65 -0.04 0.00 0.04 0.00 0.00 34.50 32.85 2edt s PRO 8 CO 0.00 -3.35 0.43 0.00 0.04 0.00 0.00 177.00 174.12 2edt s ALA 9 N -2.99 3.53 -0.11 8.56 0.00 -1.26 -4.88 121.76 124.61 2edt s ALA 9 Ca 0.69 -0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 2edt s ALA 9 Cb -0.13 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.32 2edt s ALA 9 CO 0.57 -0.16 0.03 0.15 0.00 0.00 0.00 175.76 176.35 2edt s LYS 10 N 1.00 3.26 -0.25 0.00 -0.14 -1.26 -4.78 119.74 117.56 2edt s LYS 10 Ca 0.22 -0.35 -0.29 0.00 -1.36 0.00 0.00 55.97 54.19 2edt s LYS 10 Cb -0.15 -2.94 -0.03 0.00 -1.68 0.00 0.00 37.83 33.04 2edt s LYS 10 CO 0.08 0.62 1.78 -0.06 -0.76 0.00 0.00 175.35 177.02 2edt s PHE 11 N -0.64 1.83 0.03 3.18 0.08 -1.26 0.18 117.98 121.38 2edt s PHE 11 Ca 0.11 0.52 -0.06 0.00 0.12 0.00 0.00 56.93 57.61 2edt s PHE 11 Cb -0.12 -4.06 -0.30 0.00 -0.57 0.00 0.00 43.02 37.97 2edt s PHE 11 CO 0.02 -3.22 0.99 1.79 -0.10 0.00 0.00 175.22 174.70 2edt h THR 12 N 6.52 1.30 0.00 0.64 1.35 0.23 -3.40 112.91 119.56 2edt h THR 12 Ca -0.35 -2.87 -0.27 0.00 -0.55 0.00 0.00 66.41 62.36 2edt h THR 12 Cb 1.17 2.89 -0.05 0.00 -1.73 0.00 0.00 68.15 70.43 2edt h THR 12 CO 1.01 0.85 -1.97 -0.62 -0.25 0.00 0.00 175.52 174.53 2edt n GLU 13 N -3.54 0.41 -0.35 4.72 -0.58 -0.69 -5.01 120.64 115.60 2edt n GLU 13 Ca -0.14 0.12 0.04 0.00 -0.42 0.00 0.00 57.16 56.77 2edt n GLU 13 Cb 1.05 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 30.63 2edt n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 14 N 2.45 -2.20 3.70 0.62 0.00 -1.26 -4.93 105.19 103.57 2edt n GLY 14 Ca -0.32 -1.40 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 2edt n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 15 N -5.44 2.17 -0.10 0.99 1.43 -1.26 -4.69 118.68 111.78 2edt s LEU 15 Ca 0.00 1.49 -0.05 0.00 -1.03 0.00 0.00 54.13 54.54 2edt s LEU 15 Cb 0.00 -3.87 0.05 0.00 0.03 0.00 0.00 46.19 42.40 2edt s LEU 15 CO 0.00 -2.75 0.24 0.00 0.23 0.00 0.00 176.35 174.07 2edt s ARG 16 N -4.91 0.20 0.18 1.70 1.70 -1.26 -4.93 118.95 111.63 2edt s ARG 16 Ca 0.64 0.53 -0.32 0.00 -0.47 0.00 0.00 55.73 56.11 2edt s ARG 16 Cb -0.18 -0.12 -0.12 0.00 -0.57 0.00 0.00 34.95 33.96 2edt s ARG 16 CO 0.57 -0.17 1.74 0.27 -1.08 0.00 0.00 175.30 176.63 2edt n ASN 17 N 4.30 3.92 -3.56 -2.89 6.94 -1.26 -4.71 115.26 117.99 2edt n ASN 17 Ca -0.24 1.05 -0.20 0.00 -0.02 0.00 0.00 54.58 55.16 2edt n ASN 17 Cb 0.53 -1.55 -0.08 0.00 -2.36 0.00 0.00 39.78 36.31 2edt n ASN 17 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 2edt s GLU 18 N 1.52 1.75 0.45 -3.83 -1.05 -0.70 -4.92 118.70 111.93 2edt s GLU 18 Ca 0.77 -2.02 0.03 0.00 -0.15 0.00 0.00 54.97 53.60 2edt s GLU 18 Cb -0.52 0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.30 2edt s GLU 18 CO 0.34 -0.60 0.12 -1.83 0.95 0.00 0.00 175.26 174.24 2edt s GLU 19 N -3.55 2.05 0.01 -4.83 -1.05 -1.26 0.27 118.70 110.34 2edt s GLU 19 Ca 0.37 -2.28 -0.29 0.00 -0.15 0.00 0.00 54.97 52.63 2edt s GLU 19 Cb 0.03 -0.75 0.11 0.00 -0.44 0.00 0.00 34.13 33.07 2edt s GLU 19 CO 0.24 -0.52 1.25 0.00 0.95 0.00 0.00 175.26 177.18 2edt s ALA 20 N -3.11 -2.23 -0.01 -0.84 0.00 0.47 -4.76 121.76 111.27 2edt s ALA 20 Ca 0.18 0.34 0.02 0.00 0.00 0.00 0.00 51.96 52.49 2edt s ALA 20 Cb 0.01 0.60 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2edt s ALA 20 CO 0.12 -1.09 -0.03 0.08 0.00 0.00 0.00 175.76 174.85 2edt s VAL 21 N -2.29 3.98 0.44 0.00 1.01 -1.26 0.21 120.40 122.48 2edt s VAL 21 Ca 0.20 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.34 2edt s VAL 21 Cb 0.02 -2.74 -0.11 0.00 0.00 0.00 0.00 36.38 33.55 2edt s VAL 21 CO -0.02 0.42 0.74 -0.62 0.00 0.00 0.00 175.10 175.62 2edt n GLU 22 N 1.58 0.86 0.00 2.72 1.02 -0.24 -1.24 120.64 125.34 2edt n GLU 22 Ca -0.15 0.31 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2edt n GLU 22 Cb 0.53 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2edt n GLU 22 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 23 N 1.54 2.19 1.78 0.62 0.00 -0.68 -4.80 105.19 105.84 2edt n GLY 23 Ca 0.11 -0.04 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 2edt n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2edt n ALA 24 N 0.00 -1.95 -4.02 4.61 0.00 -0.38 -3.92 120.51 114.85 2edt n ALA 24 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.29 2edt n ALA 24 Cb 0.00 -0.06 -0.15 0.00 0.00 0.00 0.00 19.45 19.24 2edt n ALA 24 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 25 N -1.94 1.92 0.99 0.00 2.01 -1.26 -1.77 115.64 115.58 2edt s THR 25 Ca 0.36 -1.46 -0.13 0.00 0.31 0.00 0.00 61.69 60.77 2edt s THR 25 Cb -0.04 -2.08 0.15 0.00 0.01 0.00 0.00 72.50 70.54 2edt s THR 25 CO 0.28 -0.04 0.25 0.00 -0.69 0.00 0.00 174.62 174.42 2edt n ALA 26 N 4.53 -0.72 -3.27 7.40 0.00 -1.25 -4.80 120.51 122.40 2edt n ALA 26 Ca -0.13 -1.00 -0.05 0.00 0.00 0.00 0.00 53.44 52.26 2edt n ALA 26 Cb 0.43 -0.85 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 2edt n ALA 26 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2edt s MET 27 N -3.36 0.44 -0.11 0.00 0.00 -1.26 -4.17 119.30 110.84 2edt s MET 27 Ca 0.35 0.51 0.02 0.00 0.00 0.00 0.00 55.69 56.58 2edt s MET 27 Cb -0.06 -0.13 0.01 0.00 0.00 0.00 0.00 34.83 34.66 2edt s MET 27 CO 0.34 -0.81 -0.17 -0.51 0.00 0.00 0.00 175.02 173.87 2edt s LEU 28 N 2.64 1.84 0.19 4.11 1.43 -0.98 -5.00 118.68 122.91 2edt s LEU 28 Ca 0.13 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.79 2edt s LEU 28 Cb -0.14 -1.17 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 2edt s LEU 28 CO -0.22 0.05 0.01 -1.66 0.23 0.00 0.00 176.35 174.76 2edt s TRP 29 N 0.81 1.28 -0.24 0.29 1.48 -1.26 -0.60 118.94 120.70 2edt s TRP 29 Ca -0.10 -1.03 -0.26 0.00 -1.06 0.00 0.00 56.10 53.65 2edt s TRP 29 Cb -0.16 -0.73 0.08 0.00 -1.16 0.00 0.00 33.47 31.50 2edt s TRP 29 CO 0.01 -0.21 0.78 0.00 -4.06 0.00 0.00 176.95 173.47 2edt s GLU 31 N 0.10 3.45 0.57 0.00 2.02 -1.26 -0.87 118.70 122.71 2edt s GLU 31 Ca -0.01 -0.64 0.06 0.00 0.02 0.00 0.00 54.97 54.41 2edt s GLU 31 Cb -0.04 -2.74 0.06 0.00 0.10 0.00 0.00 34.13 31.51 2edt s GLU 31 CO 0.01 0.18 0.51 -0.51 0.02 0.00 0.00 175.26 175.47 2edt s LEU 32 N 0.46 2.72 0.03 1.80 1.02 0.86 0.87 118.68 126.44 2edt s LEU 32 Ca -0.08 -1.20 0.25 0.00 0.02 0.00 0.00 54.13 53.12 2edt s LEU 32 Cb -0.15 -1.20 1.03 0.00 0.02 0.00 0.00 46.19 45.89 2edt s LEU 32 CO 0.04 -1.23 1.78 -0.24 0.02 0.00 0.00 176.35 176.72 2edt n SER 33 N -1.93 0.09 -3.61 2.29 2.88 0.48 -4.56 113.62 109.27 2edt n SER 33 Ca 0.02 0.51 -0.09 0.00 -1.33 0.00 0.00 58.87 57.98 2edt n SER 33 Cb 0.64 -0.53 -0.06 0.00 -0.75 0.00 0.00 64.21 63.50 2edt n SER 33 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 2edt s LYS 34 N -3.02 0.52 -0.44 -1.46 -2.85 -1.26 -4.89 119.74 106.34 2edt s LYS 34 Ca 0.11 0.32 -0.28 0.00 -1.00 0.00 0.00 55.97 55.13 2edt s LYS 34 Cb 0.16 0.25 -0.08 0.00 -2.06 0.00 0.00 37.83 36.10 2edt s LYS 34 CO 0.46 -0.12 2.37 1.55 0.10 0.00 0.00 175.35 179.70 2edt n VAL 35 N 1.35 0.06 -4.26 1.79 3.14 -1.26 -4.66 118.33 114.49 2edt n VAL 35 Ca -0.11 -0.61 -0.18 0.00 -2.96 0.00 0.00 64.34 60.48 2edt n VAL 35 Cb 0.57 -2.49 -0.11 0.00 -1.06 0.00 0.00 33.84 30.75 2edt n VAL 35 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2edt s ALA 36 N 10.57 1.58 -0.42 1.55 0.00 -1.26 -4.92 121.76 128.85 2edt s ALA 36 Ca 1.02 -1.34 -0.28 0.00 0.00 0.00 0.00 51.96 51.36 2edt s ALA 36 Cb -0.35 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2edt s ALA 36 CO 0.32 0.10 1.74 -1.25 0.00 0.00 0.00 175.76 176.68 2edt s PRO 37 N -2.79 3.18 0.56 0.00 0.04 -1.26 -4.99 135.00 129.73 2edt s PRO 37 Ca 0.11 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.26 2edt s PRO 37 Cb -0.04 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.31 2edt s PRO 37 CO 0.03 -2.05 0.79 0.14 0.04 0.00 0.00 177.00 175.95 2edt s VAL 38 N 7.22 2.64 -0.23 -0.36 -7.23 -1.26 -4.04 120.40 117.15 2edt s VAL 38 Ca 0.73 -0.65 -0.04 0.00 -1.81 0.00 0.00 61.98 60.21 2edt s VAL 38 Cb -0.18 -2.99 0.09 0.00 0.56 0.00 0.00 36.38 33.86 2edt s VAL 38 CO 0.30 0.00 0.18 -1.61 -0.31 0.00 0.00 175.10 173.66 2edt s GLU 39 N -4.78 0.18 0.21 4.82 2.02 0.57 -4.93 118.70 116.78 2edt s GLU 39 Ca 0.58 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.18 2edt s GLU 39 Cb -0.10 -1.28 -0.08 0.00 0.10 0.00 0.00 34.13 32.76 2edt s GLU 39 CO 0.39 -0.80 1.03 -1.58 0.02 0.00 0.00 175.26 174.31 2edt s TRP 40 N 2.23 3.75 0.13 1.61 0.52 -1.26 -0.92 118.94 125.00 2edt s TRP 40 Ca 0.06 1.76 -0.08 0.00 0.02 0.00 0.00 56.10 57.86 2edt s TRP 40 Cb -0.16 -3.15 -0.01 0.00 -1.15 0.00 0.00 33.47 29.01 2edt s TRP 40 CO -0.20 -0.11 0.22 1.03 0.02 0.00 0.00 176.95 177.91 2edt s ARG 41 N -0.80 0.99 -0.42 4.98 0.52 0.75 -2.90 118.95 122.08 2edt s ARG 41 Ca 0.45 -1.10 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2edt s ARG 41 Cb -0.28 0.35 0.14 0.00 0.52 0.00 0.00 34.95 35.68 2edt s ARG 41 CO 0.34 -0.34 0.23 0.21 0.02 0.00 0.00 175.30 175.77 2edt s LYS 42 N -3.93 1.11 4.15 3.54 2.20 -1.20 -0.43 119.74 125.18 2edt s LYS 42 Ca 0.12 -1.85 0.00 0.00 -0.36 0.00 0.00 55.97 53.88 2edt s LYS 42 Cb 0.04 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 2edt s LYS 42 CO -0.05 -1.18 0.00 0.41 -0.36 0.00 0.00 175.35 174.18 2edt n GLY 43 N 3.65 3.10 0.21 5.54 0.00 -1.23 -0.15 105.19 116.31 2edt n GLY 43 Ca 0.10 0.27 0.08 0.00 0.00 0.00 0.00 46.02 46.47 2edt n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2edt h PRO 44 N 0.00 0.00 -7.68 1.61 0.13 -1.98 -3.44 132.00 120.64 2edt h PRO 44 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 2edt h PRO 44 Cb 0.00 0.00 0.12 0.00 0.13 0.00 0.00 31.00 31.25 2edt h PRO 44 CO 0.00 0.28 0.41 -1.21 -0.23 0.00 0.00 178.00 177.25 2edt s GLU 45 N -3.82 1.52 -0.16 0.86 2.02 0.79 -5.09 118.70 114.82 2edt s GLU 45 Ca -0.01 -0.08 -0.04 0.00 0.02 0.00 0.00 54.97 54.86 2edt s GLU 45 Cb 0.12 -1.92 0.06 0.00 0.10 0.00 0.00 34.13 32.48 2edt s GLU 45 CO 0.66 -1.86 0.07 0.54 0.02 0.00 0.00 175.26 174.68 2edt s ASN 46 N -4.68 2.34 0.57 -0.19 6.03 -1.26 -3.28 114.94 114.46 2edt s ASN 46 Ca 0.66 -0.58 -0.02 0.00 -1.03 0.00 0.00 52.86 51.89 2edt s ASN 46 Cb -0.09 -0.32 0.02 0.00 -3.03 0.00 0.00 41.25 37.84 2edt s ASN 46 CO 0.50 -0.33 0.83 -0.76 -2.03 0.00 0.00 177.10 175.31 2edt s LEU 47 N 2.08 3.26 -0.10 3.54 1.43 -1.14 -4.94 118.68 122.80 2edt s LEU 47 Ca 0.02 0.34 -0.33 0.00 -1.03 0.00 0.00 54.13 53.13 2edt s LEU 47 Cb -0.16 -3.16 0.13 0.00 0.03 0.00 0.00 46.19 43.03 2edt s LEU 47 CO -0.08 -1.10 1.19 0.00 0.23 0.00 0.00 176.35 176.58 2edt s ARG 48 N -4.86 0.43 -0.39 1.70 1.70 -1.26 -4.58 118.95 111.68 2edt s ARG 48 Ca 0.55 -0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.35 2edt s ARG 48 Cb -0.10 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.39 2edt s ARG 48 CO 0.41 -0.19 2.32 0.16 -1.08 0.00 0.00 175.30 176.92 2edt s ASP 49 N -2.47 4.84 0.15 -2.89 -4.77 -1.26 -4.66 116.67 105.60 2edt s ASP 49 Ca 0.10 1.35 0.02 0.00 -3.30 0.00 0.00 52.55 50.72 2edt s ASP 49 Cb 0.01 -2.51 -0.01 0.00 -1.09 0.00 0.00 42.92 39.32 2edt s ASP 49 CO -0.04 -2.52 0.15 0.61 0.70 0.00 0.00 175.17 174.07 2edt n GLY 50 N 5.90 3.23 0.18 2.12 0.00 -0.10 -5.00 105.19 111.53 2edt n GLY 50 Ca 0.34 -1.66 -0.07 0.00 0.00 0.00 0.00 46.02 44.63 2edt n GLY 50 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2edt h ASP 51 N 0.87 -0.47 -0.83 1.61 1.82 -2.02 -3.05 116.42 114.34 2edt h ASP 51 Ca -0.11 0.03 0.02 0.00 -0.39 0.00 0.00 57.03 56.59 2edt h ASP 51 Cb 0.51 0.15 -0.05 0.00 0.68 0.00 0.00 39.33 40.63 2edt h ASP 51 CO 0.15 -0.24 0.55 0.08 -1.61 0.00 0.00 179.24 178.16 2edt h ARG 52 N -0.37 1.06 -5.03 0.28 0.11 -1.95 -3.36 114.38 105.11 2edt h ARG 52 Ca -0.03 -0.06 -0.67 0.00 0.10 0.00 0.00 59.98 59.32 2edt h ARG 52 Cb 0.32 -0.24 -0.17 0.00 1.11 0.00 0.00 29.97 30.98 2edt h ARG 52 CO -0.00 0.70 0.26 0.71 0.10 0.00 0.00 179.97 181.73 2edt s TYR 53 N -6.12 2.90 -0.66 4.08 2.02 -1.15 -2.25 117.35 116.17 2edt s TYR 53 Ca -0.13 -0.70 -0.23 0.00 -0.37 0.00 0.00 57.07 55.64 2edt s TYR 53 Cb 0.16 -4.01 0.07 0.00 -0.40 0.00 0.00 41.96 37.78 2edt s TYR 53 CO 0.79 -1.35 0.99 0.42 -1.57 0.00 0.00 175.55 174.82 2edt s ILE 54 N 3.15 4.28 -0.03 2.71 1.01 -0.38 -0.93 121.20 131.02 2edt s ILE 54 Ca 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 2edt s ILE 54 Cb -0.20 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.54 2edt s ILE 54 CO 0.09 -1.46 0.11 -0.76 0.00 0.00 0.00 174.94 172.91 2edt s LEU 55 N 4.18 4.06 0.07 2.97 1.02 -1.26 -0.91 118.68 128.81 2edt s LEU 55 Ca 0.24 0.25 -0.06 0.00 0.02 0.00 0.00 54.13 54.57 2edt s LEU 55 Cb -0.16 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.77 2edt s LEU 55 CO 0.11 0.31 0.13 -0.13 0.02 0.00 0.00 176.35 176.78 2edt s ARG 56 N -1.56 0.76 -0.28 1.70 0.52 0.29 -5.01 118.95 115.38 2edt s ARG 56 Ca 0.21 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.39 2edt s ARG 56 Cb -0.12 0.30 0.16 0.00 0.52 0.00 0.00 34.95 35.81 2edt s ARG 56 CO 0.12 -0.22 0.53 -1.14 0.02 0.00 0.00 175.30 174.61 2edt s GLN 57 N -3.78 0.49 -0.54 3.54 0.74 -1.26 -0.75 119.66 118.10 2edt s GLN 57 Ca 0.05 0.92 0.01 0.00 0.05 0.00 0.00 55.36 56.38 2edt s GLN 57 Cb 0.05 0.26 0.46 0.00 1.10 0.00 0.00 33.01 34.89 2edt s GLN 57 CO -0.10 -0.56 1.78 0.39 -0.55 0.00 0.00 175.29 176.25 2edt n GLU 58 N 5.41 2.91 0.00 1.67 -0.58 -1.09 -5.02 120.64 123.93 2edt n GLU 58 Ca -0.03 -3.52 0.00 0.00 -0.42 0.00 0.00 57.16 53.18 2edt n GLU 58 Cb 0.50 -2.27 0.00 0.00 -0.57 0.00 0.00 31.44 29.11 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2edt n GLY 59 N -0.88 0.13 0.17 0.62 0.00 -1.26 -4.64 105.19 99.33 2edt n GLY 59 Ca 0.57 -1.51 0.13 0.00 0.00 0.00 0.00 46.02 45.21 2edt n GLY 59 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2edt h THR 60 N 0.00 0.00 -2.74 2.61 1.35 -1.87 -3.38 112.91 108.88 2edt h THR 60 Ca 0.00 -0.34 -0.67 0.00 -0.55 0.00 0.00 66.41 64.86 2edt h THR 60 Cb 0.00 1.17 -0.08 0.00 -1.73 0.00 0.00 68.15 67.51 2edt h THR 60 CO 0.00 0.00 -0.50 -0.60 -0.25 0.00 0.00 175.52 174.17 2edt s ARG 61 N -3.40 3.38 0.15 4.72 3.52 -1.26 -0.10 118.95 125.97 2edt s ARG 61 Ca 0.04 -0.19 0.10 0.00 -0.13 0.00 0.00 55.73 55.54 2edt s ARG 61 Cb 0.09 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.32 2edt s ARG 61 CO 0.45 0.75 -0.22 0.00 -0.81 0.00 0.00 175.30 175.48 2edt s GLU 63 N -2.37 1.07 -0.10 0.00 2.02 0.07 -2.52 118.70 116.88 2edt s GLU 63 Ca 0.14 -0.27 0.01 0.00 0.02 0.00 0.00 54.97 54.87 2edt s GLU 63 Cb -0.08 -0.98 0.02 0.00 0.10 0.00 0.00 34.13 33.18 2edt s GLU 63 CO 0.07 0.04 -0.13 -1.17 0.02 0.00 0.00 175.26 174.09 2edt s LEU 64 N 0.49 1.61 -0.15 1.80 2.96 0.23 -0.55 118.68 125.07 2edt s LEU 64 Ca -0.08 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 2edt s LEU 64 Cb -0.12 -0.97 0.02 0.00 0.50 0.00 0.00 46.19 45.62 2edt s LEU 64 CO 0.01 -0.00 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.74 2edt s GLN 65 N 1.02 2.87 -0.69 1.98 -0.21 -0.09 -2.32 119.66 122.22 2edt s GLN 65 Ca -0.07 -0.79 -0.15 0.00 0.02 0.00 0.00 55.36 54.37 2edt s GLN 65 Cb -0.15 -2.41 0.18 0.00 1.00 0.00 0.00 33.01 31.63 2edt s GLN 65 CO -0.01 -0.12 0.64 0.42 -2.12 0.00 0.00 175.29 174.10 2edt s ILE 66 N 1.08 5.40 0.01 1.08 1.01 -1.26 -1.24 121.20 127.28 2edt s ILE 66 Ca -0.01 -2.02 -0.30 0.00 0.00 0.00 0.00 60.65 58.32 2edt s ILE 66 Cb -0.14 -4.39 -0.07 0.00 0.01 0.00 0.00 42.46 37.87 2edt s ILE 66 CO -0.07 -0.95 1.63 0.00 0.00 0.00 0.00 174.94 175.54 2edt n GLY 68 N 4.02 -0.09 3.88 0.00 0.00 -1.25 -4.89 105.19 106.86 2edt n GLY 68 Ca 0.16 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 2edt n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2edt s LEU 69 N -0.66 3.31 -0.19 0.99 1.43 -0.73 -4.87 118.68 117.96 2edt s LEU 69 Ca 0.00 1.21 -0.34 0.00 -1.03 0.00 0.00 54.13 53.97 2edt s LEU 69 Cb 0.00 -4.19 0.14 0.00 0.03 0.00 0.00 46.19 42.17 2edt s LEU 69 CO 0.00 -0.85 1.20 0.00 0.23 0.00 0.00 176.35 176.93 2edt s ALA 70 N -3.06 -2.05 0.44 4.21 0.00 -1.26 -1.68 121.76 118.35 2edt s ALA 70 Ca 0.53 1.62 0.36 0.00 0.00 0.00 0.00 51.96 54.47 2edt s ALA 70 Cb -0.11 -0.35 1.44 0.00 0.00 0.00 0.00 23.12 24.11 2edt s ALA 70 CO 0.51 -0.52 1.42 -1.33 0.00 0.00 0.00 175.76 175.84 2edt n MET 71 N 0.07 -0.02 -0.01 0.00 2.81 -1.26 0.14 117.12 118.86 2edt n MET 71 Ca -0.01 1.08 -0.12 0.00 -1.81 0.00 0.00 57.70 56.84 2edt n MET 71 Cb 0.58 -2.26 -0.07 0.00 -0.71 0.00 0.00 33.22 30.76 2edt n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2edt h ALA 72 N 1.24 0.07 -1.00 3.04 0.00 -2.00 -2.93 119.26 117.69 2edt h ALA 72 Ca 0.82 -0.13 0.32 0.00 0.00 0.00 0.00 54.91 55.92 2edt h ALA 72 Cb 2.91 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 20.54 2edt h ALA 72 CO -0.27 -0.30 0.57 -0.44 0.00 0.00 0.00 179.25 178.81 2edt h ASP 73 N -0.14 0.53 -1.24 0.00 5.19 0.90 -3.39 116.42 118.27 2edt h ASP 73 Ca 0.02 0.19 -0.63 0.00 -0.62 0.00 0.00 57.03 55.99 2edt h ASP 73 Cb 0.25 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 2edt h ASP 73 CO 0.00 -0.12 1.47 0.00 -3.12 0.00 0.00 179.24 177.47 2edt n ALA 74 N -2.29 1.15 -2.76 3.45 0.00 -1.11 -4.73 120.51 114.21 2edt n ALA 74 Ca 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2edt n ALA 74 Cb 0.97 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2edt n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2edt n GLY 75 N 6.36 2.14 3.03 0.00 0.00 -1.16 -4.99 105.19 110.57 2edt n GLY 75 Ca 0.40 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 2edt n GLY 75 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2edt s GLU 76 N 3.56 2.29 0.11 1.61 2.12 -1.26 -1.05 118.70 126.08 2edt s GLU 76 Ca 0.00 -0.80 -0.00 0.00 0.36 0.00 0.00 54.97 54.53 2edt s GLU 76 Cb 0.00 -2.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.96 2edt s GLU 76 CO 0.00 -0.34 0.27 0.71 -0.54 0.00 0.00 175.26 175.36 2edt s TYR 77 N 1.38 3.50 0.00 5.30 1.51 -0.81 -3.55 117.35 124.68 2edt s TYR 77 Ca 0.01 0.28 0.02 0.00 -1.01 0.00 0.00 57.07 56.38 2edt s TYR 77 Cb -0.15 -1.79 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 2edt s TYR 77 CO -0.10 0.52 -0.08 -0.51 -1.11 0.00 0.00 175.55 174.28 2edt s LEU 78 N -2.78 2.06 -0.32 -1.29 1.02 0.43 0.12 118.68 117.92 2edt s LEU 78 Ca 0.36 -0.21 0.04 0.00 0.02 0.00 0.00 54.13 54.34 2edt s LEU 78 Cb -0.12 -0.35 0.09 0.00 0.02 0.00 0.00 46.19 45.83 2edt s LEU 78 CO 0.28 0.04 0.02 0.00 0.02 0.00 0.00 176.35 176.70 2edt s VAL 80 N 0.95 5.17 -0.64 0.00 1.01 -0.10 -1.87 120.40 124.92 2edt s VAL 80 Ca 0.07 0.89 0.06 0.00 0.00 0.00 0.00 61.98 63.00 2edt s VAL 80 Cb -0.19 -3.80 0.23 0.00 0.00 0.00 0.00 36.38 32.62 2edt s VAL 80 CO -0.07 0.27 0.67 0.00 0.00 0.00 0.00 175.10 175.96 2edt n GLY 82 N 1.19 1.91 0.08 0.00 0.00 -1.26 -3.46 105.19 103.66 2edt n GLY 82 Ca 0.27 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2edt n GLY 82 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2edt n GLN 83 N 0.00 1.21 -2.71 1.61 3.00 -1.26 -5.00 117.38 114.22 2edt n GLN 83 Ca 0.00 -0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 2edt n GLN 83 Cb 0.00 -1.43 0.03 0.00 0.00 0.00 0.00 30.24 28.84 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2edt s GLU 84 N -2.41 2.62 -0.17 -1.09 0.41 -1.22 -5.12 118.70 111.72 2edt s GLU 84 Ca -0.09 -0.80 -0.35 0.00 -0.41 0.00 0.00 54.97 53.32 2edt s GLU 84 Cb 0.05 -2.52 0.14 0.00 -1.78 0.00 0.00 34.13 30.01 2edt s GLU 84 CO 0.68 -0.62 1.20 -0.98 -0.49 0.00 0.00 175.26 175.05 2edt s ARG 85 N -4.70 0.34 0.32 1.61 1.04 -1.26 -0.24 118.95 116.05 2edt s ARG 85 Ca 0.56 -0.13 0.04 0.00 -1.04 0.00 0.00 55.73 55.16 2edt s ARG 85 Cb -0.10 0.15 -0.03 0.00 -2.04 0.00 0.00 34.95 32.93 2edt s ARG 85 CO 0.38 -0.15 0.19 -0.08 -0.04 0.00 0.00 175.30 175.60 2edt s THR 86 N -2.45 0.23 0.02 4.99 -1.32 -0.78 -4.95 115.64 111.37 2edt s THR 86 Ca 0.10 -2.00 -0.06 0.00 -1.21 0.00 0.00 61.69 58.51 2edt s THR 86 Cb -0.01 -2.48 -0.00 0.00 -1.51 0.00 0.00 72.50 68.50 2edt s THR 86 CO -0.05 0.00 0.11 -0.94 -2.21 0.00 0.00 174.62 171.53 2edt s SER 87 N -3.38 0.09 0.35 8.08 1.04 -1.26 -1.50 113.70 117.12 2edt s SER 87 Ca 0.36 -0.33 0.01 0.00 0.48 0.00 0.00 55.95 56.47 2edt s SER 87 Cb 0.04 0.20 -0.01 0.00 0.10 0.00 0.00 66.02 66.36 2edt s SER 87 CO 0.20 -0.41 0.42 0.00 0.98 0.00 0.00 173.24 174.43 2edt s ALA 88 N -1.76 1.19 -0.12 5.32 0.00 0.12 -4.76 121.76 121.75 2edt s ALA 88 Ca -0.12 -1.74 -0.01 0.00 0.00 0.00 0.00 51.96 50.09 2edt s ALA 88 Cb -0.06 1.27 0.04 0.00 0.00 0.00 0.00 23.12 24.36 2edt s ALA 88 CO -0.00 -0.75 -0.02 0.99 0.00 0.00 0.00 175.76 175.98 2edt s THR 89 N -3.11 0.68 0.05 0.00 2.01 -1.26 -1.93 115.64 112.07 2edt s THR 89 Ca 0.34 -0.22 -0.09 0.00 0.31 0.00 0.00 61.69 62.03 2edt s THR 89 Cb 0.00 -0.87 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 2edt s THR 89 CO 0.24 0.18 0.35 -0.22 -0.69 0.00 0.00 174.62 174.47 2edt s LEU 90 N 1.83 4.36 -0.07 4.42 2.96 -0.22 -1.72 118.68 130.25 2edt s LEU 90 Ca 0.03 0.71 0.05 0.00 -0.22 0.00 0.00 54.13 54.70 2edt s LEU 90 Cb -0.14 -2.83 -0.01 0.00 0.50 0.00 0.00 46.19 43.71 2edt s LEU 90 CO -0.07 0.21 -0.23 -0.89 -1.32 0.00 0.00 176.35 174.05 2edt s THR 91 N -1.34 1.92 -0.06 3.68 2.01 0.14 -2.98 115.64 119.01 2edt s THR 91 Ca 0.30 -0.98 0.00 0.00 0.31 0.00 0.00 61.69 61.33 2edt s THR 91 Cb -0.14 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.70 2edt s THR 91 CO 0.17 0.53 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.96 2edt s ILE 92 N 0.03 3.92 -0.31 1.82 -1.09 -1.26 0.18 121.20 124.50 2edt s ILE 92 Ca -0.08 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 57.85 2edt s ILE 92 Cb -0.15 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.13 2edt s ILE 92 CO 0.05 0.57 0.06 -0.13 -1.23 0.00 0.00 174.94 174.26 2edt s ARG 93 N -0.94 2.79 -0.07 2.79 1.81 0.56 -4.88 118.95 121.01 2edt s ARG 93 Ca 0.14 -1.05 -0.33 0.00 -1.72 0.00 0.00 55.73 52.76 2edt s ARG 93 Cb -0.11 -3.33 -0.11 0.00 -0.45 0.00 0.00 34.95 30.95 2edt s ARG 93 CO 0.03 -0.54 1.92 0.00 -0.68 0.00 0.00 175.30 176.02 2edt n ALA 94 N 4.79 1.06 -1.74 2.13 0.00 -1.26 -1.07 120.51 124.41 2edt n ALA 94 Ca -0.14 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 2edt n ALA 94 Cb 0.46 -2.55 0.04 0.00 0.00 0.00 0.00 19.45 17.40 2edt n ALA 94 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2edt n LEU 95 N 7.05 5.51 -4.55 0.00 4.77 -1.26 -4.87 117.00 123.64 2edt n LEU 95 Ca 0.23 0.98 -0.33 0.00 -0.03 0.00 0.00 56.01 56.86 2edt n LEU 95 Cb 0.32 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.80 2edt n LEU 95 CO 0.72 -0.57 1.49 -2.16 -1.33 0.00 0.00 177.39 175.54 2edt s PRO 96 N -2.87 2.59 -0.24 3.23 0.04 -1.26 -4.96 135.00 131.54 2edt s PRO 96 Ca 0.71 0.20 -0.08 0.00 0.04 0.00 0.00 61.00 61.87 2edt s PRO 96 Cb -0.42 -4.70 -0.04 0.00 0.04 0.00 0.00 34.50 29.39 2edt s PRO 96 CO 0.49 -3.03 0.09 -1.54 0.04 0.00 0.00 177.00 173.06 2edt s SER 97 N 8.07 5.40 0.00 6.66 1.04 -1.26 -4.99 113.70 128.61 2edt s SER 97 Ca 0.68 -0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2edt s SER 97 Cb -0.10 -1.97 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2edt s SER 97 CO 0.11 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.93 2edt n GLY 98 N 4.72 0.24 3.67 7.32 0.00 -1.26 -4.92 105.19 114.96 2edt n GLY 98 Ca -0.16 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2edt n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2edt s PRO 99 N -1.87 4.22 -0.20 1.61 0.04 -1.26 -5.00 135.00 132.54 2edt s PRO 99 Ca 0.00 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 2edt s PRO 99 Cb 0.00 -3.83 0.08 0.00 0.04 0.00 0.00 34.50 30.79 2edt s PRO 99 CO 0.00 -0.75 0.46 -1.12 0.04 0.00 0.00 177.00 175.63 2edt s SER 100 N 2.65 -0.53 -0.14 6.66 0.01 -1.26 -5.14 113.70 115.95 2edt s SER 100 Ca 0.67 1.04 -0.20 0.00 1.31 0.00 0.00 55.95 58.77 2edt s SER 100 Cb -0.30 1.11 -0.04 0.00 0.21 0.00 0.00 66.02 67.00 2edt s SER 100 CO 0.25 -0.21 0.55 -0.55 0.41 0.00 0.00 173.24 173.69 2edt s SER 101 N 1.88 6.71 0.00 2.44 0.15 -1.26 -5.16 113.70 118.46 2edt s SER 101 Ca -0.07 0.86 0.00 0.00 0.70 0.00 0.00 55.95 57.44 2edt s SER 101 Cb -0.09 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2edt s SER 101 CO -0.14 -0.10 0.00 0.61 1.20 0.00 0.00 173.24 174.81