#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 6.29 -0.72 1.61 0.15 -1.26 -5.01 113.70 114.76 2edt s SER 2 Ca 0.00 -0.45 -0.07 0.00 0.70 0.00 0.00 55.95 56.12 2edt s SER 2 Cb 0.00 -2.30 0.19 0.00 -1.71 0.00 0.00 66.02 62.20 2edt s SER 2 CO 0.00 -0.75 0.59 -0.44 1.20 0.00 0.00 173.24 173.84 2edt s SER 3 N 2.01 5.87 -0.04 5.45 0.01 -1.26 -5.06 113.70 120.69 2edt s SER 3 Ca 0.20 -2.83 0.02 0.00 1.31 0.00 0.00 55.95 54.65 2edt s SER 3 Cb -0.15 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.05 2edt s SER 3 CO 0.17 -0.44 -0.08 -0.83 0.41 0.00 0.00 173.24 172.47 2edt s GLY 4 N 1.23 1.69 0.05 3.44 0.00 -1.26 -5.03 107.32 107.44 2edt s GLY 4 Ca 0.18 -0.96 -0.17 0.00 0.00 0.00 0.00 44.72 43.77 2edt s GLY 4 CO -0.06 -0.77 1.18 0.23 0.00 0.00 0.00 173.10 173.68 2edt h SER 5 N 4.97 0.72 -3.36 1.64 0.87 -2.06 -3.44 113.55 112.89 2edt h SER 5 Ca -0.48 -0.71 -0.68 0.00 -1.23 0.00 0.00 61.79 58.69 2edt h SER 5 Cb 1.17 -0.22 -0.32 0.00 -0.44 0.00 0.00 62.40 62.59 2edt h SER 5 CO 0.52 1.33 -0.86 -0.94 -0.53 0.00 0.00 176.83 176.35 2edt s SER 6 N -6.94 3.22 0.00 6.23 1.04 -1.26 -5.05 113.70 110.94 2edt s SER 6 Ca -0.12 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.79 2edt s SER 6 Cb 0.06 -1.42 0.00 0.00 0.10 0.00 0.00 66.02 64.76 2edt s SER 6 CO 0.86 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.86 2edt n GLY 7 N 3.50 1.08 1.26 7.32 0.00 -1.26 -5.14 105.19 111.95 2edt n GLY 7 Ca -0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 2edt n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 8 N 0.00 -1.80 -2.89 1.61 -0.04 -1.26 -4.97 135.00 125.66 2edt n PRO 8 Ca 0.00 -0.63 -0.42 0.00 -0.04 0.00 0.00 63.50 62.41 2edt n PRO 8 Cb 0.00 -0.59 -0.04 0.00 -0.04 0.00 0.00 33.50 32.83 2edt n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2edt s ALA 9 N -2.99 3.52 -0.11 0.55 0.00 -1.26 -4.88 121.76 116.59 2edt s ALA 9 Ca 0.26 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.84 2edt s ALA 9 Cb -0.03 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2edt s ALA 9 CO 0.20 -1.27 -0.07 0.15 0.00 0.00 0.00 175.76 174.77 2edt s LYS 10 N 3.10 3.16 -0.06 0.00 1.02 -1.26 -4.62 119.74 121.08 2edt s LYS 10 Ca 0.35 -0.57 -0.29 0.00 0.02 0.00 0.00 55.97 55.48 2edt s LYS 10 Cb -0.14 -2.70 -0.07 0.00 -0.52 0.00 0.00 37.83 34.40 2edt s LYS 10 CO 0.13 0.44 1.95 -0.06 -0.92 0.00 0.00 175.35 176.89 2edt s PHE 11 N -0.22 1.42 -0.06 3.18 0.08 -1.26 -0.10 117.98 121.03 2edt s PHE 11 Ca 0.03 -0.07 -0.03 0.00 0.12 0.00 0.00 56.93 56.99 2edt s PHE 11 Cb -0.13 -4.11 -0.27 0.00 -0.57 0.00 0.00 43.02 37.94 2edt s PHE 11 CO 0.03 -4.78 0.62 1.79 -0.10 0.00 0.00 175.22 172.78 2edt h THR 12 N 6.01 0.88 0.00 0.64 1.35 -1.75 -3.43 112.91 116.61 2edt h THR 12 Ca -0.45 -2.58 -0.24 0.00 -0.55 0.00 0.00 66.41 62.59 2edt h THR 12 Cb 1.22 2.61 -0.04 0.00 -1.73 0.00 0.00 68.15 70.21 2edt h THR 12 CO 0.95 0.79 -1.76 -0.62 -0.25 0.00 0.00 175.52 174.63 2edt n GLU 13 N -3.41 0.34 0.00 4.72 -0.58 -1.24 -5.04 120.64 115.43 2edt n GLU 13 Ca -0.23 0.15 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2edt n GLU 13 Cb 1.05 -1.08 0.00 0.00 -0.57 0.00 0.00 31.44 30.84 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 2.01 -1.91 3.41 0.62 0.00 -1.26 -4.95 105.19 103.11 2edt n GLY 14 Ca -0.30 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 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 -3.77 -0.53 -0.17 0.99 1.43 -1.26 -4.71 118.68 110.66 2edt s LEU 15 Ca 0.00 0.65 -0.28 0.00 -1.03 0.00 0.00 54.13 53.47 2edt s LEU 15 Cb 0.00 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.17 2edt s LEU 15 CO 0.00 -5.01 0.75 0.00 0.23 0.00 0.00 176.35 172.32 2edt s ARG 16 N -5.32 0.89 0.26 1.70 1.70 -1.26 -4.94 118.95 111.97 2edt s ARG 16 Ca 0.70 0.58 -0.30 0.00 -0.47 0.00 0.00 55.73 56.24 2edt s ARG 16 Cb -0.10 0.43 -0.11 0.00 -0.57 0.00 0.00 34.95 34.60 2edt s ARG 16 CO 0.56 -0.20 1.56 0.54 -1.08 0.00 0.00 175.30 176.67 2edt s ASN 17 N -0.43 6.49 0.13 -2.89 4.22 -1.26 -4.59 114.94 116.61 2edt s ASN 17 Ca -0.05 2.82 -0.04 0.00 -2.14 0.00 0.00 52.86 53.45 2edt s ASN 17 Cb -0.02 -2.62 -0.03 0.00 1.28 0.00 0.00 41.25 39.85 2edt s ASN 17 CO 0.04 -0.84 0.13 -1.83 -2.04 0.00 0.00 177.10 172.56 2edt s GLU 18 N -0.11 0.97 0.53 3.55 1.03 -0.77 -4.93 118.70 118.98 2edt s GLU 18 Ca 0.64 -1.32 0.08 0.00 0.03 0.00 0.00 54.97 54.40 2edt s GLU 18 Cb -0.46 0.29 0.06 0.00 -0.80 0.00 0.00 34.13 33.22 2edt s GLU 18 CO 0.43 -0.30 0.63 -1.21 -1.33 0.00 0.00 175.26 173.47 2edt s GLU 19 N -4.01 2.37 0.09 -4.83 2.02 -1.26 -0.81 118.70 112.27 2edt s GLU 19 Ca 0.20 -1.68 -0.27 0.00 0.02 0.00 0.00 54.97 53.24 2edt s GLU 19 Cb 0.06 -2.49 0.09 0.00 0.10 0.00 0.00 34.13 31.89 2edt s GLU 19 CO -0.00 -0.66 1.11 0.00 0.02 0.00 0.00 175.26 175.73 2edt s ALA 20 N -2.64 -1.91 0.03 5.21 0.00 0.53 -4.70 121.76 118.28 2edt s ALA 20 Ca 0.52 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.81 2edt s ALA 20 Cb -0.05 0.57 -0.02 0.00 0.00 0.00 0.00 23.12 23.62 2edt s ALA 20 CO 0.33 -1.06 -0.20 0.08 0.00 0.00 0.00 175.76 174.91 2edt s VAL 21 N -2.72 1.60 0.14 0.00 1.01 -1.26 0.15 120.40 119.31 2edt s VAL 21 Ca 0.15 -1.12 -0.35 0.00 0.00 0.00 0.00 61.98 60.67 2edt s VAL 21 Cb 0.01 -1.38 -0.16 0.00 0.00 0.00 0.00 36.38 34.85 2edt s VAL 21 CO 0.00 0.23 1.30 -0.62 0.00 0.00 0.00 175.10 176.01 2edt n GLU 22 N 1.98 1.31 0.00 2.72 1.02 0.05 -0.87 120.64 126.86 2edt n GLU 22 Ca -0.17 0.47 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2edt n GLU 22 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 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 2.39 2.10 3.25 0.62 0.00 -0.45 -4.67 105.19 108.43 2edt n GLY 23 Ca 0.17 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.88 -3.79 4.61 0.00 -0.05 -3.34 120.51 114.06 2edt n ALA 24 Ca 0.00 -1.58 -0.35 0.00 0.00 0.00 0.00 53.44 51.51 2edt n ALA 24 Cb 0.00 -1.56 -0.13 0.00 0.00 0.00 0.00 19.45 17.76 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 -2.18 2.98 1.06 0.00 2.01 -1.26 -1.48 115.64 116.76 2edt s THR 25 Ca 0.62 -1.91 -0.23 0.00 0.31 0.00 0.00 61.69 60.48 2edt s THR 25 Cb -0.15 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.35 2edt s THR 25 CO 0.56 -0.49 -0.77 0.00 -0.69 0.00 0.00 174.62 173.23 2edt n ALA 26 N 4.53 -4.99 -3.42 7.40 0.00 -1.25 -4.77 120.51 118.01 2edt n ALA 26 Ca -0.04 -1.32 -0.16 0.00 0.00 0.00 0.00 53.44 51.91 2edt n ALA 26 Cb 0.42 -1.16 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.71 0.28 -0.07 0.00 0.00 -1.26 -3.96 119.30 111.58 2edt s MET 27 Ca 0.46 0.12 0.05 0.00 0.00 0.00 0.00 55.69 56.32 2edt s MET 27 Cb -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 34.83 34.00 2edt s MET 27 CO 0.66 -0.82 -0.23 -0.51 0.00 0.00 0.00 175.02 174.13 2edt s LEU 28 N 2.39 2.03 0.06 4.11 1.43 -0.98 -5.00 118.68 122.71 2edt s LEU 28 Ca 0.09 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 2edt s LEU 28 Cb -0.15 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 2edt s LEU 28 CO -0.22 0.19 -0.05 -1.66 0.23 0.00 0.00 176.35 174.84 2edt s TRP 29 N 0.08 0.65 -0.22 0.29 1.48 -1.26 -0.68 118.94 119.28 2edt s TRP 29 Ca -0.09 -0.86 -0.17 0.00 -1.06 0.00 0.00 56.10 53.92 2edt s TRP 29 Cb -0.15 -0.41 0.06 0.00 -1.16 0.00 0.00 33.47 31.81 2edt s TRP 29 CO 0.05 -0.23 0.57 0.00 -4.06 0.00 0.00 176.95 173.28 2edt s GLU 31 N 0.88 3.57 0.25 0.00 2.02 -1.26 -1.89 118.70 122.27 2edt s GLU 31 Ca -0.05 -0.19 0.04 0.00 0.02 0.00 0.00 54.97 54.79 2edt s GLU 31 Cb -0.05 -2.82 -0.05 0.00 0.10 0.00 0.00 34.13 31.30 2edt s GLU 31 CO -0.07 0.41 -0.01 -0.51 0.02 0.00 0.00 175.26 175.10 2edt s LEU 32 N -3.06 2.25 0.00 1.80 1.43 0.86 -2.43 118.68 119.53 2edt s LEU 32 Ca 0.40 -1.23 0.19 0.00 -1.03 0.00 0.00 54.13 52.47 2edt s LEU 32 Cb -0.11 -0.36 1.00 0.00 0.03 0.00 0.00 46.19 46.75 2edt s LEU 32 CO 0.27 -0.49 1.59 -0.24 0.23 0.00 0.00 176.35 177.72 2edt n SER 33 N -0.48 0.00 -3.59 2.29 2.88 0.85 -4.69 113.62 110.89 2edt n SER 33 Ca -0.05 -0.08 -0.06 0.00 -1.33 0.00 0.00 58.87 57.35 2edt n SER 33 Cb 0.64 -0.24 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 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 -2.49 0.39 -0.35 -1.46 -2.85 -1.26 -4.89 119.74 106.83 2edt s LYS 34 Ca 0.20 -0.03 -0.28 0.00 -1.00 0.00 0.00 55.97 54.86 2edt s LYS 34 Cb 0.13 0.18 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2edt s LYS 34 CO 0.28 -0.15 1.92 0.08 0.10 0.00 0.00 175.35 177.59 2edt s VAL 35 N -1.80 3.34 0.04 1.79 1.01 -1.26 -4.71 120.40 118.82 2edt s VAL 35 Ca 0.06 0.33 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 2edt s VAL 35 Cb -0.01 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2edt s VAL 35 CO -0.04 -0.36 0.02 0.00 0.00 0.00 0.00 175.10 174.72 2edt s ALA 36 N 7.72 0.18 -0.18 5.51 0.00 -1.26 -4.99 121.76 128.73 2edt s ALA 36 Ca 0.84 -0.80 -0.29 0.00 0.00 0.00 0.00 51.96 51.71 2edt s ALA 36 Cb -0.23 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2edt s ALA 36 CO 0.32 -0.31 1.59 -1.25 0.00 0.00 0.00 175.76 176.11 2edt s PRO 37 N -2.85 3.92 0.45 0.00 0.04 -1.26 -5.01 135.00 130.29 2edt s PRO 37 Ca -0.03 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.84 2edt s PRO 37 Cb 0.00 -4.00 0.01 0.00 0.04 0.00 0.00 34.50 30.56 2edt s PRO 37 CO -0.06 -1.14 0.62 0.14 0.04 0.00 0.00 177.00 176.60 2edt s VAL 38 N 4.78 3.02 -0.23 -0.36 -7.23 -1.26 -4.33 120.40 114.78 2edt s VAL 38 Ca 0.70 -0.90 -0.04 0.00 -1.81 0.00 0.00 61.98 59.93 2edt s VAL 38 Cb -0.26 -3.04 0.10 0.00 0.56 0.00 0.00 36.38 33.73 2edt s VAL 38 CO 0.28 -0.02 0.19 -1.61 -0.31 0.00 0.00 175.10 173.63 2edt s GLU 39 N -4.45 0.19 0.18 4.82 0.41 0.21 -4.97 118.70 115.09 2edt s GLU 39 Ca 0.55 -0.07 -0.30 0.00 -0.41 0.00 0.00 54.97 54.74 2edt s GLU 39 Cb -0.10 -1.23 -0.07 0.00 -1.78 0.00 0.00 34.13 30.95 2edt s GLU 39 CO 0.34 -0.80 1.01 -1.58 -0.49 0.00 0.00 175.26 173.74 2edt s TRP 40 N 2.25 3.77 0.05 1.61 0.52 -1.26 -0.74 118.94 125.14 2edt s TRP 40 Ca 0.07 1.76 -0.04 0.00 0.02 0.00 0.00 56.10 57.91 2edt s TRP 40 Cb -0.15 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.02 2edt s TRP 40 CO -0.20 -0.04 0.06 1.03 0.02 0.00 0.00 176.95 177.81 2edt s ARG 41 N -0.51 0.63 -0.49 4.98 0.52 0.77 -1.46 118.95 123.38 2edt s ARG 41 Ca 0.46 -0.96 0.04 0.00 -0.52 0.00 0.00 55.73 54.74 2edt s ARG 41 Cb -0.27 0.24 0.16 0.00 0.52 0.00 0.00 34.95 35.60 2edt s ARG 41 CO 0.33 -0.15 0.35 0.21 0.02 0.00 0.00 175.30 176.06 2edt s LYS 42 N -3.28 1.37 5.39 3.54 2.20 -1.18 -0.29 119.74 127.48 2edt s LYS 42 Ca 0.01 -2.37 0.00 0.00 -0.36 0.00 0.00 55.97 53.25 2edt s LYS 42 Cb 0.03 -2.11 0.00 0.00 -1.51 0.00 0.00 37.83 34.24 2edt s LYS 42 CO -0.08 -1.31 0.00 0.41 -0.36 0.00 0.00 175.35 174.02 2edt n GLY 43 N 2.82 3.39 0.00 5.54 0.00 -1.26 -0.17 105.19 115.51 2edt n GLY 43 Ca 0.22 0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.56 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 11.97 0.01 -2.98 1.61 -0.04 -1.26 -4.76 135.00 139.56 2edt n PRO 44 Ca 0.00 0.25 -0.19 0.00 -0.04 0.00 0.00 63.50 63.52 2edt n PRO 44 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.01 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 -2.97 2.39 -0.11 0.54 2.02 0.76 -5.13 118.70 116.21 2edt s GLU 45 Ca 0.07 -1.48 -0.04 0.00 0.02 0.00 0.00 54.97 53.55 2edt s GLU 45 Cb 0.09 -2.65 0.05 0.00 0.10 0.00 0.00 34.13 31.73 2edt s GLU 45 CO 0.26 -0.76 0.21 -0.80 0.02 0.00 0.00 175.26 174.19 2edt s ASN 46 N -4.59 0.47 0.23 -0.19 0.01 -1.26 -3.11 114.94 106.51 2edt s ASN 46 Ca 0.60 0.46 0.04 0.00 -0.71 0.00 0.00 52.86 53.26 2edt s ASN 46 Cb -0.07 0.48 -0.03 0.00 0.41 0.00 0.00 41.25 42.04 2edt s ASN 46 CO 0.38 -0.23 0.36 -0.76 -1.51 0.00 0.00 177.10 175.34 2edt s LEU 47 N 2.25 4.29 -0.24 0.60 1.43 -0.54 -4.93 118.68 121.55 2edt s LEU 47 Ca 0.01 0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 2edt s LEU 47 Cb -0.12 -2.93 0.17 0.00 0.03 0.00 0.00 46.19 43.34 2edt s LEU 47 CO -0.07 -0.07 1.22 0.00 0.23 0.00 0.00 176.35 177.66 2edt s ARG 48 N -3.84 0.27 -0.80 1.70 1.70 -1.26 -4.24 118.95 112.48 2edt s ARG 48 Ca 0.35 0.07 -0.26 0.00 -0.47 0.00 0.00 55.73 55.42 2edt s ARG 48 Cb -0.10 0.13 -0.17 0.00 -0.57 0.00 0.00 34.95 34.24 2edt s ARG 48 CO 0.30 -0.08 2.49 -3.47 -1.08 0.00 0.00 175.30 173.46 2edt n ASP 49 N 0.60 0.94 0.00 -2.89 -0.08 -1.26 -4.63 116.55 109.23 2edt n ASP 49 Ca -0.04 -0.36 0.00 0.00 -1.51 0.00 0.00 54.79 52.88 2edt n ASP 49 Cb 0.58 -1.19 0.00 0.00 2.34 0.00 0.00 41.12 42.85 2edt n ASP 49 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2edt n GLY 50 N 6.23 5.58 0.13 0.27 0.00 0.28 -4.95 105.19 112.73 2edt n GLY 50 Ca 0.54 -1.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.08 2edt n GLY 50 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2edt h ASP 51 N 0.00 -0.25 0.46 1.61 3.32 -2.02 -3.32 116.42 116.22 2edt h ASP 51 Ca 0.00 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2edt h ASP 51 Cb 0.00 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2edt h ASP 51 CO 0.00 -0.08 -0.39 0.08 -1.72 0.00 0.00 179.24 177.12 2edt h ARG 52 N -0.49 0.00 -4.59 3.56 0.11 -1.94 -3.39 114.38 107.64 2edt h ARG 52 Ca -0.03 0.00 -0.71 0.00 0.10 0.00 0.00 59.98 59.34 2edt h ARG 52 Cb 0.23 0.00 -0.21 0.00 1.11 0.00 0.00 29.97 31.10 2edt h ARG 52 CO 0.05 0.39 -0.03 0.71 0.10 0.00 0.00 179.97 181.19 2edt s TYR 53 N -4.03 3.09 -0.87 4.08 2.02 -1.25 -1.99 117.35 118.40 2edt s TYR 53 Ca -0.02 -0.91 -0.20 0.00 -0.37 0.00 0.00 57.07 55.57 2edt s TYR 53 Cb 0.14 -3.73 0.11 0.00 -0.40 0.00 0.00 41.96 38.08 2edt s TYR 53 CO 0.72 -1.10 1.11 0.42 -1.57 0.00 0.00 175.55 175.12 2edt s ILE 54 N 2.32 4.59 -0.01 2.71 1.01 -0.28 -0.55 121.20 130.98 2edt s ILE 54 Ca 0.10 -1.25 -0.09 0.00 0.00 0.00 0.00 60.65 59.40 2edt s ILE 54 Cb -0.24 -4.77 -0.05 0.00 0.01 0.00 0.00 42.46 37.41 2edt s ILE 54 CO 0.07 -1.52 0.30 -0.76 0.00 0.00 0.00 174.94 173.03 2edt s LEU 55 N 3.14 4.40 0.13 2.97 2.01 -1.26 -1.48 118.68 128.58 2edt s LEU 55 Ca 0.31 0.69 -0.01 0.00 0.01 0.00 0.00 54.13 55.13 2edt s LEU 55 Cb -0.07 -2.58 -0.04 0.00 0.01 0.00 0.00 46.19 43.50 2edt s LEU 55 CO -0.05 0.29 0.04 -0.13 1.01 0.00 0.00 176.35 177.51 2edt s ARG 56 N -1.46 0.92 -0.30 1.70 0.52 0.23 -4.95 118.95 115.61 2edt s ARG 56 Ca 0.25 -1.43 -0.04 0.00 -0.52 0.00 0.00 55.73 53.99 2edt s ARG 56 Cb -0.14 0.16 0.18 0.00 0.52 0.00 0.00 34.95 35.67 2edt s ARG 56 CO 0.13 -0.22 0.68 -1.14 0.02 0.00 0.00 175.30 174.77 2edt s GLN 57 N -4.01 0.51 -0.20 3.54 0.74 -1.26 -1.62 119.66 117.36 2edt s GLN 57 Ca 0.22 0.99 0.15 0.00 0.05 0.00 0.00 55.36 56.77 2edt s GLN 57 Cb 0.07 0.56 0.68 0.00 1.10 0.00 0.00 33.01 35.42 2edt s GLN 57 CO 0.01 -0.48 1.59 0.39 -0.55 0.00 0.00 175.29 176.24 2edt n GLU 58 N 5.42 3.93 0.00 1.67 1.02 -1.18 -5.04 120.64 126.46 2edt n GLU 58 Ca -0.04 -2.98 0.00 0.00 -0.02 0.00 0.00 57.16 54.12 2edt n GLU 58 Cb 0.51 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 29.89 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 0.17 0.61 0.00 0.62 0.00 -1.26 -4.79 105.19 100.54 2edt n GLY 59 Ca 0.24 -0.88 0.10 0.00 0.00 0.00 0.00 46.02 45.48 2edt n GLY 59 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2edt n THR 60 N 0.00 0.00 -4.81 2.61 -2.24 -1.26 -4.48 114.28 104.10 2edt n THR 60 Ca 0.00 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.45 2edt n THR 60 Cb 0.00 -0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 67.51 2edt n THR 60 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2edt s ARG 61 N -2.00 3.23 -0.24 -0.78 3.52 -1.26 -0.10 118.95 121.32 2edt s ARG 61 Ca 0.29 -0.69 -0.00 0.00 -0.13 0.00 0.00 55.73 55.20 2edt s ARG 61 Cb 0.13 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.97 2edt s ARG 61 CO 0.22 0.28 -0.09 0.00 -0.81 0.00 0.00 175.30 174.90 2edt s GLU 63 N 1.26 3.70 -0.04 0.00 2.02 -0.64 -2.69 118.70 122.30 2edt s GLU 63 Ca -0.02 -0.06 0.03 0.00 0.02 0.00 0.00 54.97 54.94 2edt s GLU 63 Cb -0.17 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.81 2edt s GLU 63 CO -0.06 0.64 -0.13 -1.17 0.02 0.00 0.00 175.26 174.57 2edt s LEU 64 N -0.68 1.78 -0.09 1.80 2.96 0.15 -0.60 118.68 124.01 2edt s LEU 64 Ca 0.15 -0.27 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 2edt s LEU 64 Cb -0.12 -0.77 0.02 0.00 0.50 0.00 0.00 46.19 45.82 2edt s LEU 64 CO 0.04 0.09 -0.11 -1.10 -1.32 0.00 0.00 176.35 173.95 2edt s GLN 65 N 0.27 1.71 -0.71 1.98 -0.21 -0.55 -2.33 119.66 119.83 2edt s GLN 65 Ca -0.06 -0.38 -0.09 0.00 0.02 0.00 0.00 55.36 54.84 2edt s GLN 65 Cb -0.12 -1.52 0.18 0.00 1.00 0.00 0.00 33.01 32.56 2edt s GLN 65 CO 0.02 -0.08 0.59 0.42 -2.12 0.00 0.00 175.29 174.12 2edt s ILE 66 N 1.04 4.74 0.01 1.08 1.01 -1.25 -1.13 121.20 126.70 2edt s ILE 66 Ca -0.07 -2.56 -0.30 0.00 0.00 0.00 0.00 60.65 57.72 2edt s ILE 66 Cb -0.15 -4.00 -0.08 0.00 0.01 0.00 0.00 42.46 38.25 2edt s ILE 66 CO -0.01 -0.94 1.80 0.00 0.00 0.00 0.00 174.94 175.79 2edt n GLY 68 N 4.30 0.26 3.85 0.00 0.00 -1.25 -4.90 105.19 107.46 2edt n GLY 68 Ca 0.18 -0.48 -0.30 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.71 2.87 -0.16 0.99 1.43 -0.55 -4.84 118.68 117.72 2edt s LEU 69 Ca 0.00 1.26 -0.31 0.00 -1.03 0.00 0.00 54.13 54.05 2edt s LEU 69 Cb 0.00 -4.04 0.14 0.00 0.03 0.00 0.00 46.19 42.32 2edt s LEU 69 CO 0.00 -1.48 1.08 0.00 0.23 0.00 0.00 176.35 176.18 2edt s ALA 70 N -3.25 -1.97 0.37 4.21 0.00 -1.26 -1.34 121.76 118.51 2edt s ALA 70 Ca 0.59 1.53 0.27 0.00 0.00 0.00 0.00 51.96 54.34 2edt s ALA 70 Cb -0.12 -0.47 1.25 0.00 0.00 0.00 0.00 23.12 23.78 2edt s ALA 70 CO 0.53 -0.44 1.31 -1.33 0.00 0.00 0.00 175.76 175.83 2edt n MET 71 N 0.30 -0.03 -0.02 0.00 2.81 -1.26 0.18 117.12 119.09 2edt n MET 71 Ca -0.06 1.06 -0.12 0.00 -1.81 0.00 0.00 57.70 56.77 2edt n MET 71 Cb 0.59 -2.08 -0.06 0.00 -0.71 0.00 0.00 33.22 30.96 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 1.34 0.14 -1.16 3.04 0.00 -2.00 -2.76 119.26 117.86 2edt h ALA 72 Ca 0.74 -0.11 0.35 0.00 0.00 0.00 0.00 54.91 55.89 2edt h ALA 72 Cb 2.38 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 20.01 2edt h ALA 72 CO -0.40 -0.26 0.73 -0.44 0.00 0.00 0.00 179.25 178.88 2edt h ASP 73 N 0.00 0.36 -2.11 0.00 5.19 0.14 -3.38 116.42 116.63 2edt h ASP 73 Ca 0.03 0.12 -0.58 0.00 -0.62 0.00 0.00 57.03 55.99 2edt h ASP 73 Cb 0.19 0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.78 2edt h ASP 73 CO -0.00 -0.06 1.43 0.00 -3.12 0.00 0.00 179.24 177.49 2edt s ALA 74 N -5.43 2.87 0.00 3.45 0.00 -1.04 -4.66 121.76 116.95 2edt s ALA 74 Ca -0.08 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.69 2edt s ALA 74 Cb 0.28 -4.03 0.00 0.00 0.00 0.00 0.00 23.12 19.37 2edt s ALA 74 CO 0.81 -2.59 0.00 0.41 0.00 0.00 0.00 175.76 174.38 2edt n GLY 75 N 5.54 0.47 2.75 0.00 0.00 -1.17 -4.99 105.19 107.79 2edt n GLY 75 Ca 0.28 0.49 -0.19 0.00 0.00 0.00 0.00 46.02 46.59 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 2.86 0.04 -0.11 1.61 2.12 -1.26 -2.73 118.70 121.22 2edt s GLU 76 Ca 0.00 0.37 -0.06 0.00 0.36 0.00 0.00 54.97 55.64 2edt s GLU 76 Cb 0.00 -0.71 -0.04 0.00 0.26 0.00 0.00 34.13 33.64 2edt s GLU 76 CO 0.00 -0.42 0.11 0.71 -0.54 0.00 0.00 175.26 175.12 2edt s TYR 77 N 2.25 3.51 -0.02 5.30 1.51 -1.03 -4.09 117.35 124.78 2edt s TYR 77 Ca 0.04 0.46 0.07 0.00 -1.01 0.00 0.00 57.07 56.63 2edt s TYR 77 Cb -0.13 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2edt s TYR 77 CO -0.07 0.68 -0.22 -0.51 -1.11 0.00 0.00 175.55 174.33 2edt s LEU 78 N -0.99 2.03 -0.33 -1.29 1.02 0.60 -0.96 118.68 118.76 2edt s LEU 78 Ca 0.15 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.87 2edt s LEU 78 Cb -0.12 -1.14 0.07 0.00 0.02 0.00 0.00 46.19 45.01 2edt s LEU 78 CO 0.04 0.26 0.05 0.00 0.02 0.00 0.00 176.35 176.72 2edt s VAL 80 N 1.21 4.93 -0.72 0.00 1.01 0.08 -2.48 120.40 124.42 2edt s VAL 80 Ca -0.01 0.58 0.03 0.00 0.00 0.00 0.00 61.98 62.58 2edt s VAL 80 Cb -0.20 -4.04 0.31 0.00 0.00 0.00 0.00 36.38 32.45 2edt s VAL 80 CO -0.02 -0.26 1.11 0.00 0.00 0.00 0.00 175.10 175.93 2edt n GLY 82 N 0.19 1.28 0.05 0.00 0.00 -1.26 -3.88 105.19 101.57 2edt n GLY 82 Ca 0.33 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 0.66 -3.08 1.61 6.02 -1.26 -4.97 117.38 116.35 2edt n GLN 83 Ca 0.00 -0.06 -0.17 0.00 -0.01 0.00 0.00 57.00 56.75 2edt n GLN 83 Cb 0.00 -1.59 0.01 0.00 1.02 0.00 0.00 30.24 29.68 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2edt s GLU 84 N -3.15 2.88 -0.09 -1.09 0.41 -1.25 -5.13 118.70 111.28 2edt s GLU 84 Ca -0.07 -1.19 -0.32 0.00 -0.41 0.00 0.00 54.97 52.97 2edt s GLU 84 Cb 0.11 -2.77 0.12 0.00 -1.78 0.00 0.00 34.13 29.81 2edt s GLU 84 CO 0.86 -0.22 1.12 -0.98 -0.49 0.00 0.00 175.26 175.55 2edt s ARG 85 N -4.33 0.52 0.32 1.61 1.70 -1.26 -1.33 118.95 116.19 2edt s ARG 85 Ca 0.53 -0.22 0.05 0.00 -0.47 0.00 0.00 55.73 55.62 2edt s ARG 85 Cb -0.10 0.22 -0.03 0.00 -0.57 0.00 0.00 34.95 34.47 2edt s ARG 85 CO 0.33 -0.23 0.21 -0.08 -1.08 0.00 0.00 175.30 174.45 2edt s THR 86 N -2.67 0.15 -0.09 4.99 -1.32 -1.04 -4.96 115.64 110.71 2edt s THR 86 Ca 0.09 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.47 2edt s THR 86 Cb -0.00 -2.48 0.03 0.00 -1.51 0.00 0.00 72.50 68.54 2edt s THR 86 CO -0.05 0.00 0.28 -0.94 -2.21 0.00 0.00 174.62 171.70 2edt s SER 87 N -3.38 -0.27 0.35 8.08 1.04 -1.26 -2.13 113.70 116.13 2edt s SER 87 Ca 0.37 0.49 0.04 0.00 0.48 0.00 0.00 55.95 57.33 2edt s SER 87 Cb 0.03 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2edt s SER 87 CO 0.22 -0.14 0.17 0.00 0.98 0.00 0.00 173.24 174.46 2edt s ALA 88 N -0.06 2.34 -0.17 5.32 0.00 -0.14 -4.78 121.76 124.26 2edt s ALA 88 Ca -0.02 -1.62 0.00 0.00 0.00 0.00 0.00 51.96 50.33 2edt s ALA 88 Cb -0.03 1.04 0.04 0.00 0.00 0.00 0.00 23.12 24.17 2edt s ALA 88 CO 0.01 -0.46 -0.10 0.99 0.00 0.00 0.00 175.76 176.19 2edt s THR 89 N -3.41 1.48 0.03 0.00 2.01 -1.26 -2.46 115.64 112.02 2edt s THR 89 Ca 0.32 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.51 2edt s THR 89 Cb 0.04 -1.53 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 2edt s THR 89 CO 0.18 0.25 0.21 -0.22 -0.69 0.00 0.00 174.62 174.36 2edt s LEU 90 N 1.49 4.36 -0.05 4.42 2.96 -1.10 -1.84 118.68 128.91 2edt s LEU 90 Ca 0.01 0.36 0.05 0.00 -0.22 0.00 0.00 54.13 54.32 2edt s LEU 90 Cb -0.15 -2.79 -0.00 0.00 0.50 0.00 0.00 46.19 43.75 2edt s LEU 90 CO -0.09 0.21 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.08 2edt s THR 91 N -1.41 1.52 -0.10 3.68 2.01 0.01 -3.06 115.64 118.30 2edt s THR 91 Ca 0.31 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 2edt s THR 91 Cb -0.13 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 2edt s THR 91 CO 0.22 0.44 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.90 2edt s ILE 92 N 0.03 3.78 -0.28 1.82 -1.09 -1.26 0.20 121.20 124.40 2edt s ILE 92 Ca -0.04 -0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 57.89 2edt s ILE 92 Cb -0.12 -2.59 0.00 0.00 -1.58 0.00 0.00 42.46 38.18 2edt s ILE 92 CO 0.03 0.57 0.05 -0.13 -1.23 0.00 0.00 174.94 174.22 2edt s ARG 93 N -0.42 3.17 -0.04 2.79 1.81 0.40 -4.89 118.95 121.78 2edt s ARG 93 Ca 0.06 -0.79 -0.36 0.00 -1.72 0.00 0.00 55.73 52.92 2edt s ARG 93 Cb -0.12 -3.29 -0.14 0.00 -0.45 0.00 0.00 34.95 30.95 2edt s ARG 93 CO 0.02 -0.38 1.71 0.00 -0.68 0.00 0.00 175.30 175.97 2edt n ALA 94 N 4.85 0.52 -1.51 2.13 0.00 -1.26 -0.77 120.51 124.48 2edt n ALA 94 Ca -0.15 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 2edt n ALA 94 Cb 0.49 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 5.05 0.81 -4.56 0.00 4.77 -1.26 -4.79 117.00 117.02 2edt n LEU 95 Ca 0.21 0.99 -0.28 0.00 -0.03 0.00 0.00 56.01 56.90 2edt n LEU 95 Cb 0.24 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.10 2edt n LEU 95 CO 0.71 -2.34 1.38 -2.16 -1.33 0.00 0.00 177.39 173.65 2edt s PRO 96 N -1.65 2.57 -0.34 3.23 0.04 -1.26 -4.94 135.00 132.65 2edt s PRO 96 Ca 0.63 -0.16 -0.15 0.00 0.04 0.00 0.00 61.00 61.35 2edt s PRO 96 Cb -0.63 -4.97 -0.01 0.00 0.04 0.00 0.00 34.50 28.93 2edt s PRO 96 CO 0.58 -3.28 0.35 -1.54 0.04 0.00 0.00 177.00 173.14 2edt s SER 97 N 8.04 6.17 -0.42 6.66 1.04 -1.26 -5.01 113.70 128.91 2edt s SER 97 Ca 0.70 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.94 2edt s SER 97 Cb -0.07 -2.19 0.16 0.00 0.10 0.00 0.00 66.02 64.01 2edt s SER 97 CO 0.02 -0.31 0.31 -0.83 0.98 0.00 0.00 173.24 173.41 2edt s GLY 98 N 1.73 1.29 -0.69 7.32 0.00 -1.26 -5.08 107.32 110.63 2edt s GLY 98 Ca 0.11 -2.42 -0.26 0.00 0.00 0.00 0.00 44.72 42.15 2edt s GLY 98 CO 0.11 1.98 1.89 2.56 0.00 0.00 0.00 173.10 179.64 2edt s PRO 99 N 0.24 2.60 -0.06 2.90 0.04 -1.26 -4.97 135.00 134.49 2edt s PRO 99 Ca 0.27 0.38 -0.03 0.00 0.04 0.00 0.00 61.00 61.66 2edt s PRO 99 Cb -0.07 -4.57 -0.04 0.00 0.04 0.00 0.00 34.50 29.87 2edt s PRO 99 CO -0.12 -2.91 0.09 -1.54 0.04 0.00 0.00 177.00 172.56 2edt s SER 100 N 8.10 5.82 0.76 6.66 1.04 -1.26 -5.10 113.70 129.72 2edt s SER 100 Ca 0.68 0.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 2edt s SER 100 Cb -0.11 -1.75 0.05 0.00 0.10 0.00 0.00 66.02 64.31 2edt s SER 100 CO 0.15 0.34 1.08 -0.44 0.98 0.00 0.00 173.24 175.35 2edt s SER 101 N -1.33 4.81 0.00 7.02 0.01 -1.26 -5.35 113.70 117.61 2edt s SER 101 Ca 0.18 1.42 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2edt s SER 101 Cb -0.12 -2.21 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2edt s SER 101 CO 0.08 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.56