#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2edt s SER 2 N 0.00 0.11 0.25 1.61 1.04 -1.26 -5.18 113.70 110.28 2edt s SER 2 Ca 0.00 -0.69 0.11 0.00 0.48 0.00 0.00 55.95 55.86 2edt s SER 2 Cb 0.00 0.35 -0.05 0.00 0.10 0.00 0.00 66.02 66.42 2edt s SER 2 CO 0.00 -0.75 -0.20 -0.55 0.98 0.00 0.00 173.24 172.72 2edt s SER 3 N -2.88 3.41 0.00 7.02 0.15 -1.26 -5.08 113.70 115.07 2edt s SER 3 Ca 0.07 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.72 2edt s SER 3 Cb 0.05 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2edt s SER 3 CO -0.09 0.03 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2edt n GLY 4 N -0.41 0.33 3.58 9.45 0.00 -1.26 -5.00 105.19 111.87 2edt n GLY 4 Ca -0.07 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.39 2edt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2edt s SER 5 N -4.00 5.72 -1.18 1.61 0.15 -1.26 -5.03 113.70 109.72 2edt s SER 5 Ca 0.00 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.46 2edt s SER 5 Cb 0.00 -2.03 0.10 0.00 -1.71 0.00 0.00 66.02 62.38 2edt s SER 5 CO 0.00 0.03 1.53 -0.44 1.20 0.00 0.00 173.24 175.55 2edt s SER 6 N 1.28 6.82 0.00 5.45 0.01 -1.26 -4.97 113.70 121.04 2edt s SER 6 Ca 0.06 -2.39 0.00 0.00 1.31 0.00 0.00 55.95 54.93 2edt s SER 6 Cb -0.14 -2.50 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2edt s SER 6 CO 0.05 -1.09 0.00 0.61 0.41 0.00 0.00 173.24 173.22 2edt n GLY 7 N 5.29 0.28 3.60 3.44 0.00 -1.26 -5.08 105.19 111.46 2edt n GLY 7 Ca 0.40 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 1.03 -1.13 -0.21 1.61 0.04 -1.26 -5.01 135.00 130.07 2edt s PRO 8 Ca 0.00 -0.04 -0.17 0.00 0.04 0.00 0.00 61.00 60.83 2edt s PRO 8 Cb 0.00 -1.60 -0.03 0.00 0.04 0.00 0.00 34.50 32.90 2edt s PRO 8 CO 0.00 -3.66 0.48 0.00 0.04 0.00 0.00 177.00 173.86 2edt s ALA 9 N -3.01 3.56 -0.13 8.56 0.00 -1.26 -4.80 121.76 124.67 2edt s ALA 9 Ca 0.71 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2edt s ALA 9 Cb -0.10 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2edt s ALA 9 CO 0.56 -0.47 -0.14 0.15 0.00 0.00 0.00 175.76 175.87 2edt s LYS 10 N 1.68 3.33 0.08 0.00 1.02 -1.26 -4.81 119.74 119.79 2edt s LYS 10 Ca 0.22 -0.71 -0.35 0.00 0.02 0.00 0.00 55.97 55.15 2edt s LYS 10 Cb -0.15 -2.62 -0.14 0.00 -0.52 0.00 0.00 37.83 34.40 2edt s LYS 10 CO 0.09 0.16 1.62 1.19 -0.92 0.00 0.00 175.35 177.49 2edt n PHE 11 N 3.66 2.18 -0.06 3.18 3.72 -1.26 0.08 117.46 128.96 2edt n PHE 11 Ca -0.18 0.27 -0.10 0.00 -0.05 0.00 0.00 57.45 57.39 2edt n PHE 11 Cb 0.52 -2.54 -0.15 0.00 -0.94 0.00 0.00 39.48 36.38 2edt n PHE 11 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2edt n THR 12 N 3.71 1.51 0.00 4.37 -2.24 -0.66 -4.61 114.28 116.36 2edt n THR 12 Ca 0.19 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2edt n THR 12 Cb 0.27 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 2edt n THR 12 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2edt n GLU 13 N -2.92 1.69 -1.07 -0.78 -0.58 -1.26 -5.05 120.64 110.68 2edt n GLU 13 Ca -0.25 0.00 0.14 0.00 -0.42 0.00 0.00 57.16 56.62 2edt n GLU 13 Cb 1.10 -0.89 -0.05 0.00 -0.57 0.00 0.00 31.44 31.03 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 2.04 -2.51 3.42 0.62 0.00 -1.26 -4.89 105.19 102.61 2edt n GLY 14 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 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 -6.65 -0.09 -0.22 0.99 1.43 -1.26 -4.72 118.68 108.15 2edt s LEU 15 Ca 0.00 1.06 -0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2edt s LEU 15 Cb 0.00 -2.72 0.09 0.00 0.03 0.00 0.00 46.19 43.59 2edt s LEU 15 CO 0.00 -4.70 0.48 0.00 0.23 0.00 0.00 176.35 172.35 2edt s ARG 16 N -4.90 0.41 0.20 1.70 1.70 -1.26 -5.01 118.95 111.79 2edt s ARG 16 Ca 0.69 1.07 -0.32 0.00 -0.47 0.00 0.00 55.73 56.70 2edt s ARG 16 Cb -0.17 0.34 -0.14 0.00 -0.57 0.00 0.00 34.95 34.41 2edt s ARG 16 CO 0.60 -0.22 1.40 0.27 -1.08 0.00 0.00 175.30 176.27 2edt n ASN 17 N 5.10 2.51 -3.35 -2.89 0.23 -1.26 -4.81 115.26 110.80 2edt n ASN 17 Ca -0.13 1.13 -0.21 0.00 -0.53 0.00 0.00 54.58 54.84 2edt n ASN 17 Cb 0.51 -1.38 -0.08 0.00 -2.08 0.00 0.00 39.78 36.76 2edt n ASN 17 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2edt n GLU 18 N 2.30 0.44 -4.02 -3.83 0.28 -0.95 -4.96 120.64 109.91 2edt n GLU 18 Ca 0.14 -3.32 -0.09 0.00 -0.16 0.00 0.00 57.16 53.73 2edt n GLU 18 Cb 0.29 2.51 -0.09 0.00 1.43 0.00 0.00 31.44 35.59 2edt n GLU 18 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 2edt s GLU 19 N -3.38 0.90 0.27 3.44 1.03 -1.26 -1.14 118.70 118.55 2edt s GLU 19 Ca 0.35 -1.21 -0.13 0.00 0.03 0.00 0.00 54.97 54.01 2edt s GLU 19 Cb 0.02 0.30 0.05 0.00 -0.80 0.00 0.00 34.13 33.69 2edt s GLU 19 CO 0.25 -0.27 0.69 0.00 -1.33 0.00 0.00 175.26 174.59 2edt n ALA 20 N -0.08 -1.62 -2.87 -0.84 0.00 0.17 -4.88 120.51 110.39 2edt n ALA 20 Ca -0.10 -0.96 -0.22 0.00 0.00 0.00 0.00 53.44 52.16 2edt n ALA 20 Cb 0.63 0.71 -0.04 0.00 0.00 0.00 0.00 19.45 20.75 2edt n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2edt s VAL 21 N -2.25 4.71 0.37 0.00 1.01 -1.26 0.86 120.40 123.85 2edt s VAL 21 Ca 0.14 -1.23 -0.28 0.00 0.00 0.00 0.00 61.98 60.61 2edt s VAL 21 Cb -0.03 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 32.70 2edt s VAL 21 CO 0.08 -0.31 1.51 -1.61 0.00 0.00 0.00 175.10 174.77 2edt s GLU 22 N -3.78 4.09 0.00 2.72 2.02 0.86 -2.28 118.70 122.33 2edt s GLU 22 Ca 0.33 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.92 2edt s GLU 22 Cb -0.09 -2.97 0.00 0.00 0.10 0.00 0.00 34.13 31.18 2edt s GLU 22 CO 0.26 -0.56 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2edt n GLY 23 N 0.57 1.78 1.56 -1.39 0.00 -0.55 -4.74 105.19 102.41 2edt n GLY 23 Ca 0.02 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.99 -3.93 4.61 0.00 -0.97 -3.28 120.51 114.96 2edt n ALA 24 Ca 0.00 -0.58 -0.31 0.00 0.00 0.00 0.00 53.44 52.56 2edt n ALA 24 Cb 0.00 -0.05 -0.15 0.00 0.00 0.00 0.00 19.45 19.25 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 -1.41 1.72 1.06 0.00 2.01 -1.26 -2.10 115.64 115.65 2edt s THR 25 Ca 0.25 -1.71 -0.18 0.00 0.31 0.00 0.00 61.69 60.36 2edt s THR 25 Cb -0.04 -2.14 0.05 0.00 0.01 0.00 0.00 72.50 70.37 2edt s THR 25 CO 0.21 -0.41 -0.09 0.00 -0.69 0.00 0.00 174.62 173.64 2edt n ALA 26 N 4.53 -4.00 -3.53 7.40 0.00 -1.25 -4.72 120.51 118.94 2edt n ALA 26 Ca -0.04 -1.10 -0.24 0.00 0.00 0.00 0.00 53.44 52.06 2edt n ALA 26 Cb 0.43 -1.50 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.28 0.17 -0.17 0.00 1.75 -1.26 -3.63 119.30 112.87 2edt s MET 27 Ca 0.53 -0.19 0.01 0.00 -1.25 0.00 0.00 55.69 54.78 2edt s MET 27 Cb -0.12 -1.30 0.01 0.00 2.84 0.00 0.00 34.83 36.25 2edt s MET 27 CO 0.67 -0.84 -0.18 -0.51 -0.65 0.00 0.00 175.02 173.51 2edt s LEU 28 N 2.19 2.28 0.16 4.11 1.43 -0.68 -4.96 118.68 123.21 2edt s LEU 28 Ca 0.06 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 2edt s LEU 28 Cb -0.16 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.50 2edt s LEU 28 CO -0.23 0.03 -0.12 -1.66 0.23 0.00 0.00 176.35 174.60 2edt s TRP 29 N 1.15 1.39 -0.23 0.29 1.48 -1.26 -0.24 118.94 121.53 2edt s TRP 29 Ca 0.01 -0.69 -0.21 0.00 -1.06 0.00 0.00 56.10 54.15 2edt s TRP 29 Cb -0.14 -0.69 0.06 0.00 -1.16 0.00 0.00 33.47 31.54 2edt s TRP 29 CO -0.08 0.16 0.61 0.00 -4.06 0.00 0.00 176.95 173.58 2edt s GLU 31 N 0.40 3.49 0.05 0.00 2.02 -1.26 -1.52 118.70 121.89 2edt s GLU 31 Ca -0.01 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.60 2edt s GLU 31 Cb -0.04 -2.91 -0.03 0.00 0.10 0.00 0.00 34.13 31.25 2edt s GLU 31 CO -0.00 0.48 -0.07 -0.51 0.02 0.00 0.00 175.26 175.17 2edt s LEU 32 N -3.08 2.31 0.49 1.80 1.43 0.07 -1.66 118.68 120.04 2edt s LEU 32 Ca 0.37 -0.65 0.20 0.00 -1.03 0.00 0.00 54.13 53.02 2edt s LEU 32 Cb -0.11 -0.14 1.07 0.00 0.03 0.00 0.00 46.19 47.04 2edt s LEU 32 CO 0.28 -0.26 1.55 -1.28 0.23 0.00 0.00 176.35 176.87 2edt h SER 33 N 4.17 0.00 -4.73 2.29 0.87 -0.67 -3.42 113.55 112.05 2edt h SER 33 Ca -0.36 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.27 2edt h SER 33 Cb 1.19 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 63.01 2edt h SER 33 CO 0.46 0.00 0.41 -1.59 -0.53 0.00 0.00 176.83 175.58 2edt s LYS 34 N -3.69 0.94 -0.00 2.24 -2.85 -1.26 -4.94 119.74 110.18 2edt s LYS 34 Ca -0.02 -0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 54.32 2edt s LYS 34 Cb 0.06 0.44 -0.06 0.00 -2.06 0.00 0.00 37.83 36.20 2edt s LYS 34 CO 0.18 -0.41 1.60 0.08 0.10 0.00 0.00 175.35 176.90 2edt s VAL 35 N -3.20 3.43 0.05 1.79 1.01 -1.26 -4.69 120.40 117.52 2edt s VAL 35 Ca 0.03 0.72 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 2edt s VAL 35 Cb -0.01 -3.46 0.04 0.00 0.00 0.00 0.00 36.38 32.94 2edt s VAL 35 CO -0.09 -0.03 0.41 0.00 0.00 0.00 0.00 175.10 175.39 2edt s ALA 36 N 3.21 -1.00 -0.12 5.51 0.00 -1.26 -4.98 121.76 123.12 2edt s ALA 36 Ca 0.71 0.27 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2edt s ALA 36 Cb -0.35 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2edt s ALA 36 CO 0.30 -0.48 1.54 -1.25 0.00 0.00 0.00 175.76 175.87 2edt s PRO 37 N -2.63 4.12 0.42 0.00 0.04 -1.26 -5.02 135.00 130.68 2edt s PRO 37 Ca -0.04 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.00 2edt s PRO 37 Cb -0.00 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.61 2edt s PRO 37 CO -0.03 -0.90 0.59 0.14 0.04 0.00 0.00 177.00 176.84 2edt s VAL 38 N 4.11 3.27 -0.23 -0.36 -7.23 -1.26 -4.42 120.40 114.28 2edt s VAL 38 Ca 0.68 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.89 2edt s VAL 38 Cb -0.28 -3.13 0.09 0.00 0.56 0.00 0.00 36.38 33.61 2edt s VAL 38 CO 0.25 -0.06 0.14 -1.61 -0.31 0.00 0.00 175.10 173.52 2edt s GLU 39 N -4.39 0.15 0.11 4.82 2.02 0.24 -4.96 118.70 116.70 2edt s GLU 39 Ca 0.53 -0.21 -0.28 0.00 0.02 0.00 0.00 54.97 55.02 2edt s GLU 39 Cb -0.10 -1.39 -0.06 0.00 0.10 0.00 0.00 34.13 32.68 2edt s GLU 39 CO 0.34 -0.83 0.90 -1.58 0.02 0.00 0.00 175.26 174.10 2edt s TRP 40 N 2.17 3.82 0.01 1.61 0.52 -1.26 -0.95 118.94 124.85 2edt s TRP 40 Ca 0.06 1.72 -0.08 0.00 0.02 0.00 0.00 56.10 57.82 2edt s TRP 40 Cb -0.16 -2.97 0.00 0.00 -1.15 0.00 0.00 33.47 29.20 2edt s TRP 40 CO -0.22 0.27 0.16 1.03 0.02 0.00 0.00 176.95 178.21 2edt s ARG 41 N -0.22 0.52 -0.69 4.98 0.52 0.62 -2.19 118.95 122.49 2edt s ARG 41 Ca 0.43 -0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.24 2edt s ARG 41 Cb -0.23 0.22 0.17 0.00 0.52 0.00 0.00 34.95 35.63 2edt s ARG 41 CO 0.28 -0.13 0.50 0.21 0.02 0.00 0.00 175.30 176.18 2edt s LYS 42 N -1.52 2.57 4.64 3.54 2.20 -1.16 -0.23 119.74 129.77 2edt s LYS 42 Ca -0.14 -3.00 0.00 0.00 -0.36 0.00 0.00 55.97 52.47 2edt s LYS 42 Cb -0.07 -3.59 0.00 0.00 -1.51 0.00 0.00 37.83 32.66 2edt s LYS 42 CO 0.01 -1.22 0.00 0.41 -0.36 0.00 0.00 175.35 174.19 2edt n GLY 43 N 2.63 3.27 0.00 5.54 0.00 -1.26 0.18 105.19 115.55 2edt n GLY 43 Ca 0.14 0.26 0.08 0.00 0.00 0.00 0.00 46.02 46.49 2edt n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 44 N 12.51 0.39 -3.47 1.61 -0.04 -1.26 -4.74 135.00 139.99 2edt n PRO 44 Ca 0.00 0.05 -0.21 0.00 -0.04 0.00 0.00 63.50 63.30 2edt n PRO 44 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2edt n PRO 44 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2edt s GLU 45 N -2.21 2.52 -0.13 0.54 2.02 0.13 -5.13 118.70 116.44 2edt s GLU 45 Ca 0.20 -1.57 -0.03 0.00 0.02 0.00 0.00 54.97 53.59 2edt s GLU 45 Cb 0.10 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.96 2edt s GLU 45 CO 0.20 -0.33 0.05 0.54 0.02 0.00 0.00 175.26 175.73 2edt s ASN 46 N -4.24 2.10 0.42 -0.19 2.20 -1.26 -3.00 114.94 110.96 2edt s ASN 46 Ca 0.49 -0.41 0.03 0.00 -0.94 0.00 0.00 52.86 52.02 2edt s ASN 46 Cb -0.04 -0.38 -0.00 0.00 -2.00 0.00 0.00 41.25 38.83 2edt s ASN 46 CO 0.29 -0.28 0.60 -0.76 -2.94 0.00 0.00 177.10 174.01 2edt s LEU 47 N 2.02 3.72 -0.13 3.54 1.43 -0.93 -4.92 118.68 123.41 2edt s LEU 47 Ca 0.02 0.04 -0.33 0.00 -1.03 0.00 0.00 54.13 52.83 2edt s LEU 47 Cb -0.15 -2.95 0.13 0.00 0.03 0.00 0.00 46.19 43.25 2edt s LEU 47 CO -0.07 -0.66 1.10 0.00 0.23 0.00 0.00 176.35 176.96 2edt s ARG 48 N -4.43 0.48 -0.66 1.70 1.70 -1.26 -4.47 118.95 112.02 2edt s ARG 48 Ca 0.49 -0.18 -0.26 0.00 -0.47 0.00 0.00 55.73 55.31 2edt s ARG 48 Cb -0.10 0.22 -0.12 0.00 -0.57 0.00 0.00 34.95 34.38 2edt s ARG 48 CO 0.35 -0.21 2.43 -0.40 -1.08 0.00 0.00 175.30 176.40 2edt n ASP 49 N -0.14 1.76 -0.85 -2.89 5.75 -1.26 -4.70 116.55 114.22 2edt n ASP 49 Ca -0.03 -0.73 0.00 0.00 -0.01 0.00 0.00 54.79 54.02 2edt n ASP 49 Cb 0.59 -1.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.20 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2edt n GLY 50 N 6.27 4.86 0.00 6.12 0.00 -0.40 -4.97 105.19 117.07 2edt n GLY 50 Ca 0.45 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.69 2edt n GLY 50 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2edt n ASP 51 N -1.43 0.00 -0.34 1.61 9.92 -1.26 -3.45 116.55 121.60 2edt n ASP 51 Ca 0.00 0.93 0.03 0.00 -0.53 0.00 0.00 54.79 55.22 2edt n ASP 51 Cb 0.00 -0.47 0.20 0.00 -0.64 0.00 0.00 41.12 40.21 2edt n ASP 51 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 2edt h ARG 52 N 0.00 1.09 -5.14 -1.24 0.11 -1.96 -3.36 114.38 103.89 2edt h ARG 52 Ca 0.00 -0.07 -0.66 0.00 0.10 0.00 0.00 59.98 59.35 2edt h ARG 52 Cb 0.00 -0.25 -0.17 0.00 1.11 0.00 0.00 29.97 30.67 2edt h ARG 52 CO 0.00 0.72 0.32 0.71 0.10 0.00 0.00 179.97 181.82 2edt s TYR 53 N -5.98 2.86 -0.85 4.08 2.02 -1.22 -1.07 117.35 117.18 2edt s TYR 53 Ca -0.12 -0.64 -0.21 0.00 -0.37 0.00 0.00 57.07 55.73 2edt s TYR 53 Cb 0.20 -4.05 0.09 0.00 -0.40 0.00 0.00 41.96 37.80 2edt s TYR 53 CO 0.81 -1.40 1.15 0.42 -1.57 0.00 0.00 175.55 174.96 2edt s ILE 54 N 3.34 4.38 0.16 2.71 1.01 0.50 -1.27 121.20 132.03 2edt s ILE 54 Ca 0.18 -0.92 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2edt s ILE 54 Cb -0.19 -4.81 -0.06 0.00 0.01 0.00 0.00 42.46 37.40 2edt s ILE 54 CO 0.10 -1.60 0.41 -0.76 0.00 0.00 0.00 174.94 173.08 2edt s LEU 55 N 3.75 4.24 0.27 2.97 1.02 -1.26 -0.70 118.68 128.97 2edt s LEU 55 Ca 0.32 0.63 -0.11 0.00 0.02 0.00 0.00 54.13 54.99 2edt s LEU 55 Cb -0.08 -3.36 0.00 0.00 0.02 0.00 0.00 46.19 42.77 2edt s LEU 55 CO -0.02 0.02 0.50 -0.13 0.02 0.00 0.00 176.35 176.74 2edt s ARG 56 N -2.73 1.65 -0.30 1.70 0.52 0.96 -4.99 118.95 115.75 2edt s ARG 56 Ca 0.42 -1.34 -0.04 0.00 -0.52 0.00 0.00 55.73 54.24 2edt s ARG 56 Cb -0.12 0.48 0.19 0.00 0.52 0.00 0.00 34.95 36.01 2edt s ARG 56 CO 0.24 -0.69 0.72 -1.14 0.02 0.00 0.00 175.30 174.45 2edt s GLN 57 N -3.75 0.46 -0.59 3.54 0.74 -1.26 -1.76 119.66 117.04 2edt s GLN 57 Ca 0.23 0.81 -0.00 0.00 0.05 0.00 0.00 55.36 56.45 2edt s GLN 57 Cb -0.01 0.45 0.51 0.00 1.10 0.00 0.00 33.01 35.05 2edt s GLN 57 CO 0.11 -0.52 2.00 0.39 -0.55 0.00 0.00 175.29 176.72 2edt n GLU 58 N 5.44 2.53 0.00 1.67 1.02 -0.90 -5.01 120.64 125.39 2edt n GLU 58 Ca -0.02 -3.14 0.00 0.00 -0.02 0.00 0.00 57.16 53.97 2edt n GLU 58 Cb 0.52 -2.23 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 2edt n GLU 58 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2edt n GLY 59 N -0.94 0.35 0.34 0.62 0.00 -1.26 -4.56 105.19 99.74 2edt n GLY 59 Ca 0.61 -1.69 0.18 0.00 0.00 0.00 0.00 46.02 45.13 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 0.22 -2.98 2.61 1.35 -1.86 -3.41 112.91 108.84 2edt h THR 60 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 65.20 2edt h THR 60 Cb 0.00 0.85 -0.10 0.00 -1.73 0.00 0.00 68.15 67.17 2edt h THR 60 CO 0.00 0.00 -0.55 -0.60 -0.25 0.00 0.00 175.52 174.12 2edt s ARG 61 N -4.36 3.21 0.23 4.72 3.00 -1.26 -0.75 118.95 123.73 2edt s ARG 61 Ca -0.04 -0.34 0.11 0.00 -1.00 0.00 0.00 55.73 54.46 2edt s ARG 61 Cb 0.13 -2.97 -0.05 0.00 0.00 0.00 0.00 34.95 32.06 2edt s ARG 61 CO 0.44 0.70 -0.22 0.00 0.00 0.00 0.00 175.30 176.22 2edt s GLU 63 N -3.04 0.79 -0.11 0.00 2.02 -0.72 -2.62 118.70 115.02 2edt s GLU 63 Ca 0.24 -0.10 0.02 0.00 0.02 0.00 0.00 54.97 55.15 2edt s GLU 63 Cb -0.06 -0.80 0.01 0.00 0.10 0.00 0.00 34.13 33.38 2edt s GLU 63 CO 0.12 -0.07 -0.17 -1.17 0.02 0.00 0.00 175.26 173.99 2edt s LEU 64 N 0.85 1.83 -0.12 1.80 2.96 0.67 -0.03 118.68 126.64 2edt s LEU 64 Ca -0.11 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.36 2edt s LEU 64 Cb -0.14 -1.18 0.00 0.00 0.50 0.00 0.00 46.19 45.38 2edt s LEU 64 CO 0.00 0.04 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.74 2edt s GLN 65 N 0.90 3.05 -0.67 1.98 -0.21 0.12 -1.69 119.66 123.14 2edt s GLN 65 Ca -0.08 -0.86 -0.12 0.00 0.02 0.00 0.00 55.36 54.32 2edt s GLN 65 Cb -0.15 -2.36 0.17 0.00 1.00 0.00 0.00 33.01 31.67 2edt s GLN 65 CO -0.01 0.10 0.59 0.42 -2.12 0.00 0.00 175.29 174.27 2edt s ILE 66 N 0.53 5.04 -0.15 1.08 1.01 -1.24 -0.37 121.20 127.11 2edt s ILE 66 Ca -0.14 -2.18 -0.29 0.00 0.00 0.00 0.00 60.65 58.04 2edt s ILE 66 Cb -0.17 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.07 2edt s ILE 66 CO 0.05 -0.93 1.72 0.00 0.00 0.00 0.00 174.94 175.78 2edt n GLY 68 N 4.60 0.38 3.85 0.00 0.00 -1.23 -4.82 105.19 107.98 2edt n GLY 68 Ca 0.20 -0.53 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.53 3.00 -0.17 0.99 1.43 -0.89 -4.82 118.68 117.68 2edt s LEU 69 Ca 0.00 1.35 -0.30 0.00 -1.03 0.00 0.00 54.13 54.14 2edt s LEU 69 Cb 0.00 -4.21 0.14 0.00 0.03 0.00 0.00 46.19 42.15 2edt s LEU 69 CO 0.00 -1.31 1.09 0.00 0.23 0.00 0.00 176.35 176.36 2edt s ALA 70 N -3.21 -1.98 0.42 4.21 0.00 -1.26 -1.49 121.76 118.45 2edt s ALA 70 Ca 0.58 1.59 0.33 0.00 0.00 0.00 0.00 51.96 54.46 2edt s ALA 70 Cb -0.12 -0.68 1.38 0.00 0.00 0.00 0.00 23.12 23.70 2edt s ALA 70 CO 0.54 -0.37 1.38 -1.33 0.00 0.00 0.00 175.76 175.97 2edt n MET 71 N 0.47 -0.02 0.06 0.00 2.81 -1.26 0.12 117.12 119.30 2edt n MET 71 Ca -0.06 1.07 -0.13 0.00 -1.81 0.00 0.00 57.70 56.77 2edt n MET 71 Cb 0.59 -2.20 -0.09 0.00 -0.71 0.00 0.00 33.22 30.81 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 1.26 -0.16 -1.38 3.04 0.00 -1.99 -2.96 119.26 117.07 2edt h ALA 72 Ca 0.80 -0.17 0.42 0.00 0.00 0.00 0.00 54.91 55.96 2edt h ALA 72 Cb 2.76 0.06 -0.10 0.00 0.00 0.00 0.00 17.79 20.51 2edt h ALA 72 CO -0.30 -0.43 0.93 0.22 0.00 0.00 0.00 179.25 179.67 2edt h ASP 73 N -0.49 0.19 -2.44 0.00 3.58 0.53 -3.39 116.42 114.40 2edt h ASP 73 Ca -0.02 0.08 -0.53 0.00 0.42 0.00 0.00 57.03 56.98 2edt h ASP 73 Cb 0.39 0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.53 2edt h ASP 73 CO 0.03 -0.08 1.19 0.00 -2.88 0.00 0.00 179.24 177.50 2edt s ALA 74 N -5.19 3.61 0.00 -0.78 0.00 -1.12 -4.67 121.76 113.61 2edt s ALA 74 Ca -0.07 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.16 2edt s ALA 74 Cb 0.27 -3.82 0.00 0.00 0.00 0.00 0.00 23.12 19.58 2edt s ALA 74 CO 0.83 -1.49 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2edt n GLY 75 N 4.42 -0.50 2.92 0.00 0.00 -1.16 -5.00 105.19 105.88 2edt n GLY 75 Ca 0.19 0.60 -0.15 0.00 0.00 0.00 0.00 46.02 46.67 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 0.00 0.27 -0.10 1.61 2.56 -1.26 -2.85 118.70 118.93 2edt s GLU 76 Ca 0.00 -0.10 0.02 0.00 0.00 0.00 0.00 54.97 54.89 2edt s GLU 76 Cb 0.00 -0.27 0.01 0.00 2.00 0.00 0.00 34.13 35.87 2edt s GLU 76 CO 0.00 0.05 -0.15 0.71 -0.56 0.00 0.00 175.26 175.31 2edt s TYR 77 N 0.01 1.90 -0.02 5.30 1.51 -0.57 -4.20 117.35 121.28 2edt s TYR 77 Ca 0.00 -0.84 0.03 0.00 -1.01 0.00 0.00 57.07 55.26 2edt s TYR 77 Cb -0.02 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 2edt s TYR 77 CO -0.00 -0.42 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.42 2edt s LEU 78 N 0.84 3.06 -0.27 -1.29 2.01 0.68 -0.60 118.68 123.12 2edt s LEU 78 Ca -0.10 -0.14 0.01 0.00 0.01 0.00 0.00 54.13 53.91 2edt s LEU 78 Cb -0.15 -1.72 0.07 0.00 0.01 0.00 0.00 46.19 44.40 2edt s LEU 78 CO 0.01 0.31 -0.01 0.00 1.01 0.00 0.00 176.35 177.67 2edt s VAL 80 N 1.32 5.17 -0.49 0.00 1.01 -0.13 -1.82 120.40 125.47 2edt s VAL 80 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.89 2edt s VAL 80 Cb -0.19 -3.75 0.29 0.00 0.00 0.00 0.00 36.38 32.73 2edt s VAL 80 CO -0.10 0.40 0.70 0.00 0.00 0.00 0.00 175.10 176.11 2edt n GLY 82 N 0.74 0.92 0.39 0.00 0.00 -1.26 -4.07 105.19 101.91 2edt n GLY 82 Ca 0.26 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.54 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 1.61 -4.61 1.61 6.02 -1.26 -5.00 117.38 115.75 2edt n GLN 83 Ca 0.00 -0.91 -0.28 0.00 -0.01 0.00 0.00 57.00 55.81 2edt n GLN 83 Cb 0.00 -1.22 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 2edt n GLN 83 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2edt s GLU 84 N -1.56 1.94 -0.07 -1.09 4.04 -1.26 -5.16 118.70 115.53 2edt s GLU 84 Ca 0.13 -2.11 -0.31 0.00 0.04 0.00 0.00 54.97 52.71 2edt s GLU 84 Cb 0.11 -1.50 0.12 0.00 0.02 0.00 0.00 34.13 32.88 2edt s GLU 84 CO 0.30 -0.11 1.04 -0.98 -1.84 0.00 0.00 175.26 173.67 2edt s ARG 85 N -3.75 0.61 0.01 -4.83 1.70 -1.26 -0.74 118.95 110.70 2edt s ARG 85 Ca 0.32 -0.24 0.03 0.00 -0.47 0.00 0.00 55.73 55.37 2edt s ARG 85 Cb 0.09 0.27 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 2edt s ARG 85 CO 0.16 -0.27 -0.08 -0.08 -1.08 0.00 0.00 175.30 173.95 2edt s THR 86 N -2.82 0.63 0.12 4.99 -1.32 -0.76 -4.94 115.64 111.53 2edt s THR 86 Ca 0.07 -0.61 0.05 0.00 -1.21 0.00 0.00 61.69 59.99 2edt s THR 86 Cb -0.01 -0.58 -0.04 0.00 -1.51 0.00 0.00 72.50 70.36 2edt s THR 86 CO -0.07 -0.01 0.06 -0.94 -2.21 0.00 0.00 174.62 171.45 2edt s SER 87 N -0.69 5.29 0.30 8.08 1.04 -1.26 -0.77 113.70 125.68 2edt s SER 87 Ca -0.01 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.25 2edt s SER 87 Cb -0.05 -1.33 -0.01 0.00 0.10 0.00 0.00 66.02 64.72 2edt s SER 87 CO 0.00 0.13 0.40 0.00 0.98 0.00 0.00 173.24 174.76 2edt s ALA 88 N -1.51 0.73 -0.07 5.32 0.00 0.23 -4.77 121.76 121.70 2edt s ALA 88 Ca 0.28 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 50.77 2edt s ALA 88 Cb -0.11 1.21 0.03 0.00 0.00 0.00 0.00 23.12 24.24 2edt s ALA 88 CO 0.21 -0.76 -0.02 0.99 0.00 0.00 0.00 175.76 176.18 2edt s THR 89 N -3.48 0.46 0.07 0.00 2.01 -1.26 -1.51 115.64 111.93 2edt s THR 89 Ca 0.31 0.03 0.01 0.00 0.31 0.00 0.00 61.69 62.36 2edt s THR 89 Cb 0.01 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 2edt s THR 89 CO 0.17 0.25 0.15 -0.22 -0.69 0.00 0.00 174.62 174.29 2edt s LEU 90 N 1.65 4.09 -0.05 4.42 2.96 -1.13 -2.23 118.68 128.38 2edt s LEU 90 Ca 0.00 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 2edt s LEU 90 Cb -0.13 -2.73 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 2edt s LEU 90 CO -0.04 0.17 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.09 2edt s THR 91 N -1.46 1.53 -0.10 3.68 2.01 -0.30 -2.97 115.64 118.04 2edt s THR 91 Ca 0.32 -0.76 -0.01 0.00 0.31 0.00 0.00 61.69 61.55 2edt s THR 91 Cb -0.13 -1.32 -0.03 0.00 0.01 0.00 0.00 72.50 71.03 2edt s THR 91 CO 0.25 0.44 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.93 2edt s ILE 92 N 0.11 3.74 -0.21 1.82 -1.09 -1.26 0.43 121.20 124.75 2edt s ILE 92 Ca -0.06 -0.44 -0.05 0.00 -2.23 0.00 0.00 60.65 57.86 2edt s ILE 92 Cb -0.13 -2.57 -0.02 0.00 -1.58 0.00 0.00 42.46 38.16 2edt s ILE 92 CO 0.03 0.56 0.01 -0.13 -1.23 0.00 0.00 174.94 174.18 2edt s ARG 93 N -0.35 3.63 -0.02 2.79 1.81 0.25 -4.91 118.95 122.15 2edt s ARG 93 Ca 0.05 -0.51 -0.32 0.00 -1.72 0.00 0.00 55.73 53.22 2edt s ARG 93 Cb -0.12 -3.11 -0.11 0.00 -0.45 0.00 0.00 34.95 31.16 2edt s ARG 93 CO 0.02 -0.01 1.90 0.00 -0.68 0.00 0.00 175.30 176.54 2edt n ALA 94 N 4.31 1.25 -1.80 2.13 0.00 -1.26 -0.10 120.51 125.03 2edt n ALA 94 Ca -0.17 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 2edt n ALA 94 Cb 0.52 -2.57 -0.06 0.00 0.00 0.00 0.00 19.45 17.34 2edt n ALA 94 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2edt s LEU 95 N 4.00 4.07 -0.06 0.00 0.05 -1.26 -4.85 118.68 120.62 2edt s LEU 95 Ca 0.90 1.80 -0.30 0.00 0.05 0.00 0.00 54.13 56.59 2edt s LEU 95 Cb -0.58 -4.35 -0.05 0.00 -2.05 0.00 0.00 46.19 39.16 2edt s LEU 95 CO 0.47 -0.34 1.50 -2.16 -0.55 0.00 0.00 176.35 175.27 2edt s PRO 96 N -2.78 4.22 0.06 1.48 0.04 -1.26 -5.02 135.00 131.74 2edt s PRO 96 Ca 0.59 2.01 0.09 0.00 0.04 0.00 0.00 61.00 63.73 2edt s PRO 96 Cb -0.14 -3.82 -0.03 0.00 0.04 0.00 0.00 34.50 30.55 2edt s PRO 96 CO 0.19 -0.74 -0.24 0.45 0.04 0.00 0.00 177.00 176.69 2edt s SER 97 N 2.63 3.37 0.65 6.66 0.15 -1.26 -5.04 113.70 120.86 2edt s SER 97 Ca 0.67 -0.57 0.00 0.00 0.70 0.00 0.00 55.95 56.75 2edt s SER 97 Cb -0.30 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.64 2edt s SER 97 CO 0.25 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.55 2edt n GLY 98 N 1.57 -0.09 3.57 9.45 0.00 -1.26 -4.56 105.19 113.88 2edt n GLY 98 Ca -0.17 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 2.91 -0.09 1.61 0.04 -1.26 -4.98 135.00 133.23 2edt s PRO 99 Ca 0.00 0.87 -0.11 0.00 0.04 0.00 0.00 61.00 61.80 2edt s PRO 99 Cb 0.00 -4.30 -0.05 0.00 0.04 0.00 0.00 34.50 30.19 2edt s PRO 99 CO 0.00 -2.39 0.26 0.45 0.04 0.00 0.00 177.00 175.36 2edt s SER 100 N 7.17 6.54 -0.22 6.66 0.15 -1.26 -5.01 113.70 127.73 2edt s SER 100 Ca 0.70 0.64 -0.16 0.00 0.70 0.00 0.00 55.95 57.84 2edt s SER 100 Cb -0.15 -2.15 -0.11 0.00 -1.71 0.00 0.00 66.02 61.89 2edt s SER 100 CO 0.25 0.33 -0.19 -0.24 1.20 0.00 0.00 173.24 174.60 2edt n SER 101 N 2.20 1.91 0.00 5.45 2.88 -1.26 -5.18 113.62 119.62 2edt n SER 101 Ca -0.17 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2edt n SER 101 Cb 0.53 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.15 2edt n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42