#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 6.77 0.18 1.61 0.15 -1.26 -4.94 113.70 116.21 2edt s SER 2 Ca 0.00 0.74 -0.21 0.00 0.70 0.00 0.00 55.95 57.18 2edt s SER 2 Cb 0.00 -2.50 0.10 0.00 -1.71 0.00 0.00 66.02 61.91 2edt s SER 2 CO 0.00 -0.91 1.59 0.28 1.20 0.00 0.00 173.24 175.40 2edt h SER 3 N 8.41 -1.16 0.00 5.45 0.02 -2.09 -3.43 113.55 120.75 2edt h SER 3 Ca -0.22 0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2edt h SER 3 Cb 1.07 0.56 0.00 0.00 0.14 0.00 0.00 62.40 64.17 2edt h SER 3 CO 1.01 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 177.01 2edt n GLY 4 N -1.43 -1.75 1.85 -3.77 0.00 -1.26 -5.03 105.19 93.80 2edt n GLY 4 Ca 0.03 0.80 -0.15 0.00 0.00 0.00 0.00 46.02 46.70 2edt n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2edt n SER 5 N 0.00 6.19 -3.82 1.61 7.64 -1.26 -4.80 113.62 119.18 2edt n SER 5 Ca 0.00 -3.01 -0.25 0.00 1.01 0.00 0.00 58.87 56.62 2edt n SER 5 Cb 0.00 -1.03 -0.17 0.00 -1.01 0.00 0.00 64.21 61.99 2edt n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2edt s SER 6 N 0.26 1.95 0.00 6.43 0.15 -1.26 -5.08 113.70 116.15 2edt s SER 6 Ca 0.29 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2edt s SER 6 Cb 0.23 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 2edt s SER 6 CO -0.00 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.87 2edt n GLY 7 N 5.06 3.04 3.57 9.45 0.00 -1.26 -5.10 105.19 119.95 2edt n GLY 7 Ca -0.09 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.96 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 -4.39 -1.59 0.19 1.61 0.04 -1.26 -5.05 135.00 124.55 2edt s PRO 8 Ca 0.00 -0.19 -0.01 0.00 0.04 0.00 0.00 61.00 60.84 2edt s PRO 8 Cb 0.00 -1.56 -0.04 0.00 0.04 0.00 0.00 34.50 32.93 2edt s PRO 8 CO 0.00 -3.93 0.38 0.00 0.04 0.00 0.00 177.00 173.49 2edt s ALA 9 N -3.01 3.84 -0.07 8.56 0.00 -1.26 -4.90 121.76 124.92 2edt s ALA 9 Ca 0.72 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.89 2edt s ALA 9 Cb -0.08 -2.00 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2edt s ALA 9 CO 0.56 0.48 -0.12 0.15 0.00 0.00 0.00 175.76 176.83 2edt s LYS 10 N -3.21 1.68 -0.26 0.00 1.02 -1.26 -4.65 119.74 113.06 2edt s LYS 10 Ca 0.38 -0.40 -0.28 0.00 0.02 0.00 0.00 55.97 55.69 2edt s LYS 10 Cb -0.11 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2edt s LYS 10 CO 0.28 0.01 2.04 -0.06 -0.92 0.00 0.00 175.35 176.71 2edt s PHE 11 N 0.73 1.43 0.02 3.18 0.08 -1.26 -1.08 117.98 121.08 2edt s PHE 11 Ca -0.13 0.56 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 2edt s PHE 11 Cb -0.16 -4.01 -0.33 0.00 -0.57 0.00 0.00 43.02 37.95 2edt s PHE 11 CO 0.03 -3.65 0.93 1.79 -0.10 0.00 0.00 175.22 174.22 2edt h THR 12 N 6.98 1.22 0.00 0.64 1.35 -1.88 -3.40 112.91 117.82 2edt h THR 12 Ca -0.38 -2.71 -0.22 0.00 -0.55 0.00 0.00 66.41 62.55 2edt h THR 12 Cb 1.21 2.95 -0.04 0.00 -1.73 0.00 0.00 68.15 70.54 2edt h THR 12 CO 0.99 0.83 -1.83 -0.62 -0.25 0.00 0.00 175.52 174.64 2edt n GLU 13 N -3.65 0.36 -0.50 4.72 -0.58 -1.26 -5.06 120.64 114.68 2edt n GLU 13 Ca -0.18 0.09 0.06 0.00 -0.42 0.00 0.00 57.16 56.71 2edt n GLU 13 Cb 1.09 -1.28 -0.02 0.00 -0.57 0.00 0.00 31.44 30.65 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 2.78 -2.19 3.75 0.62 0.00 -1.26 -4.93 105.19 103.96 2edt n GLY 14 Ca -0.26 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 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 -5.78 2.16 0.32 0.99 1.43 -1.26 -4.77 118.68 111.78 2edt s LEU 15 Ca 0.00 1.23 -0.04 0.00 -1.03 0.00 0.00 54.13 54.30 2edt s LEU 15 Cb 0.00 -3.64 -0.00 0.00 0.03 0.00 0.00 46.19 42.58 2edt s LEU 15 CO 0.00 -2.52 0.46 0.00 0.23 0.00 0.00 176.35 174.52 2edt s ARG 16 N -5.10 1.82 0.04 1.70 1.70 -1.26 -4.84 118.95 113.02 2edt s ARG 16 Ca 0.63 -1.68 -0.18 0.00 -0.47 0.00 0.00 55.73 54.03 2edt s ARG 16 Cb -0.16 0.44 -0.06 0.00 -0.57 0.00 0.00 34.95 34.59 2edt s ARG 16 CO 0.55 -0.75 0.52 0.54 -1.08 0.00 0.00 175.30 175.09 2edt s ASN 17 N -3.20 6.98 0.27 -2.89 4.22 -1.26 -4.12 114.94 114.94 2edt s ASN 17 Ca 0.30 1.16 0.00 0.00 -2.14 0.00 0.00 52.86 52.18 2edt s ASN 17 Cb -0.00 -2.33 -0.03 0.00 1.28 0.00 0.00 41.25 40.18 2edt s ASN 17 CO 0.18 0.27 0.28 -1.83 -2.04 0.00 0.00 177.10 173.96 2edt s GLU 18 N -0.99 1.55 0.38 3.55 1.03 -1.14 -4.98 118.70 118.11 2edt s GLU 18 Ca 0.28 -1.73 0.08 0.00 0.03 0.00 0.00 54.97 53.62 2edt s GLU 18 Cb -0.19 0.34 -0.07 0.00 -0.80 0.00 0.00 34.13 33.42 2edt s GLU 18 CO 0.17 -0.58 0.01 -1.21 -1.33 0.00 0.00 175.26 172.33 2edt s GLU 19 N -3.71 2.00 0.10 -4.83 2.02 -1.26 -1.26 118.70 111.76 2edt s GLU 19 Ca 0.36 -1.95 -0.26 0.00 0.02 0.00 0.00 54.97 53.14 2edt s GLU 19 Cb 0.03 -1.78 0.08 0.00 0.10 0.00 0.00 34.13 32.57 2edt s GLU 19 CO 0.18 0.02 1.07 0.00 0.02 0.00 0.00 175.26 176.55 2edt s ALA 20 N -2.63 -1.83 0.17 5.21 0.00 0.24 -4.82 121.76 118.11 2edt s ALA 20 Ca 0.35 0.26 0.11 0.00 0.00 0.00 0.00 51.96 52.68 2edt s ALA 20 Cb 0.05 0.57 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2edt s ALA 20 CO 0.19 -1.05 -0.25 0.08 0.00 0.00 0.00 175.76 174.73 2edt s VAL 21 N -2.95 2.28 0.18 0.00 1.01 -1.26 0.32 120.40 119.98 2edt s VAL 21 Ca 0.14 -1.93 -0.32 0.00 0.00 0.00 0.00 61.98 59.87 2edt s VAL 21 Cb 0.00 -2.05 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 2edt s VAL 21 CO 0.01 -0.06 1.73 -0.62 0.00 0.00 0.00 175.10 176.16 2edt n GLU 22 N 0.49 2.70 0.00 2.72 1.02 -0.54 -1.50 120.64 125.53 2edt n GLU 22 Ca -0.14 0.98 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2edt n GLU 22 Cb 0.55 -2.82 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 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 3.96 3.27 3.70 0.62 0.00 -0.30 -4.68 105.19 111.77 2edt n GLY 23 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.19 -1.56 -3.66 4.61 0.00 -0.56 -4.19 120.51 113.96 2edt n ALA 24 Ca 0.00 -1.66 -0.35 0.00 0.00 0.00 0.00 53.44 51.43 2edt n ALA 24 Cb 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 19.45 19.23 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 -3.76 2.97 1.08 0.00 2.01 -1.26 -1.13 115.64 115.55 2edt s THR 25 Ca 0.72 -1.40 -0.18 0.00 0.31 0.00 0.00 61.69 61.15 2edt s THR 25 Cb -0.02 -2.71 0.10 0.00 0.01 0.00 0.00 72.50 69.87 2edt s THR 25 CO 0.51 -0.11 -0.07 0.00 -0.69 0.00 0.00 174.62 174.26 2edt n ALA 26 N 4.62 -3.29 -3.44 7.40 0.00 -1.21 -4.74 120.51 119.84 2edt n ALA 26 Ca -0.13 -1.24 -0.14 0.00 0.00 0.00 0.00 53.44 51.93 2edt n ALA 26 Cb 0.43 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.30 0.26 -0.14 0.00 0.00 -1.26 -3.85 119.30 111.01 2edt s MET 27 Ca 0.47 0.40 -0.01 0.00 0.00 0.00 0.00 55.69 56.56 2edt s MET 27 Cb -0.07 -0.78 0.03 0.00 0.00 0.00 0.00 34.83 34.01 2edt s MET 27 CO 0.56 -0.62 -0.06 -0.51 0.00 0.00 0.00 175.02 174.38 2edt s LEU 28 N 2.44 1.35 0.25 4.11 1.43 -1.10 -4.97 118.68 122.19 2edt s LEU 28 Ca 0.09 -0.46 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2edt s LEU 28 Cb -0.15 -0.86 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 2edt s LEU 28 CO -0.14 -0.15 -0.15 -1.66 0.23 0.00 0.00 176.35 174.49 2edt s TRP 29 N 1.69 1.99 -0.18 0.29 1.48 -1.26 -1.64 118.94 121.30 2edt s TRP 29 Ca 0.03 -0.50 -0.28 0.00 -1.06 0.00 0.00 56.10 54.29 2edt s TRP 29 Cb -0.14 -0.94 0.08 0.00 -1.16 0.00 0.00 33.47 31.31 2edt s TRP 29 CO -0.08 0.49 0.78 0.00 -4.06 0.00 0.00 176.95 174.07 2edt s GLU 31 N -0.36 3.18 0.03 0.00 2.02 -1.26 -1.16 118.70 121.15 2edt s GLU 31 Ca -0.04 -0.74 0.02 0.00 0.02 0.00 0.00 54.97 54.23 2edt s GLU 31 Cb -0.03 -2.81 -0.02 0.00 0.10 0.00 0.00 34.13 31.38 2edt s GLU 31 CO 0.03 0.50 -0.06 -0.51 0.02 0.00 0.00 175.26 175.24 2edt s LEU 32 N -3.21 2.18 0.55 1.80 1.43 0.13 -3.02 118.68 118.53 2edt s LEU 32 Ca 0.33 -0.40 0.20 0.00 -1.03 0.00 0.00 54.13 53.23 2edt s LEU 32 Cb -0.10 -0.15 1.09 0.00 0.03 0.00 0.00 46.19 47.06 2edt s LEU 32 CO 0.26 -0.14 1.57 -1.28 0.23 0.00 0.00 176.35 177.00 2edt h SER 33 N 4.99 0.00 -2.88 2.29 0.87 -1.42 -3.40 113.55 113.99 2edt h SER 33 Ca -0.33 0.00 0.08 0.00 -1.23 0.00 0.00 61.79 60.31 2edt h SER 33 Cb 1.20 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.90 2edt h SER 33 CO 0.44 0.00 0.38 -1.59 -0.53 0.00 0.00 176.83 175.53 2edt s LYS 34 N -3.80 0.47 -0.11 2.24 -2.85 -1.26 -4.93 119.74 109.49 2edt s LYS 34 Ca -0.02 0.69 -0.40 0.00 -1.00 0.00 0.00 55.97 55.24 2edt s LYS 34 Cb 0.06 0.16 -0.18 0.00 -2.06 0.00 0.00 37.83 35.81 2edt s LYS 34 CO 0.18 -0.08 1.42 1.55 0.10 0.00 0.00 175.35 178.53 2edt n VAL 35 N 3.10 0.08 -3.63 1.79 3.14 -1.26 -4.76 118.33 116.79 2edt n VAL 35 Ca -0.16 -0.01 -0.13 0.00 -2.96 0.00 0.00 64.34 61.08 2edt n VAL 35 Cb 0.57 -0.70 -0.06 0.00 -1.06 0.00 0.00 33.84 32.59 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 1.52 -1.10 -0.40 1.55 0.00 -1.26 -4.96 121.76 117.11 2edt s ALA 36 Ca 0.92 0.32 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 2edt s ALA 36 Cb -1.13 0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2edt s ALA 36 CO 0.59 -0.52 1.73 -1.25 0.00 0.00 0.00 175.76 176.31 2edt s PRO 37 N -2.78 3.24 0.57 0.00 0.04 -1.26 -5.00 135.00 129.81 2edt s PRO 37 Ca -0.03 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.17 2edt s PRO 37 Cb -0.00 -4.20 0.04 0.00 0.04 0.00 0.00 34.50 30.37 2edt s PRO 37 CO -0.04 -1.98 0.80 0.14 0.04 0.00 0.00 177.00 175.96 2edt s VAL 38 N 7.04 2.62 -0.21 -0.36 -7.23 -1.26 -4.66 120.40 116.35 2edt s VAL 38 Ca 0.73 -0.63 -0.04 0.00 -1.81 0.00 0.00 61.98 60.24 2edt s VAL 38 Cb -0.19 -3.00 0.08 0.00 0.56 0.00 0.00 36.38 33.84 2edt s VAL 38 CO 0.31 0.00 0.14 -1.61 -0.31 0.00 0.00 175.10 173.63 2edt s GLU 39 N -4.81 0.13 0.13 4.82 2.02 0.14 -4.96 118.70 116.17 2edt s GLU 39 Ca 0.58 -0.10 -0.30 0.00 0.02 0.00 0.00 54.97 55.17 2edt s GLU 39 Cb -0.10 -1.47 -0.06 0.00 0.10 0.00 0.00 34.13 32.59 2edt s GLU 39 CO 0.39 -0.76 1.03 -1.58 0.02 0.00 0.00 175.26 174.36 2edt s TRP 40 N 2.19 3.71 0.04 1.61 0.52 -1.26 -1.66 118.94 124.09 2edt s TRP 40 Ca 0.05 1.69 -0.02 0.00 0.02 0.00 0.00 56.10 57.85 2edt s TRP 40 Cb -0.16 -3.16 -0.03 0.00 -1.15 0.00 0.00 33.47 28.98 2edt s TRP 40 CO -0.17 -0.19 0.00 1.03 0.02 0.00 0.00 176.95 177.65 2edt s ARG 41 N -0.06 0.51 -0.53 4.98 0.52 0.28 -1.79 118.95 122.85 2edt s ARG 41 Ca 0.49 -0.92 0.04 0.00 -0.52 0.00 0.00 55.73 54.82 2edt s ARG 41 Cb -0.26 0.18 0.16 0.00 0.52 0.00 0.00 34.95 35.55 2edt s ARG 41 CO 0.32 -0.10 0.36 0.21 0.02 0.00 0.00 175.30 176.11 2edt s LYS 42 N -2.84 1.59 4.88 3.54 2.20 -1.22 -0.03 119.74 127.86 2edt s LYS 42 Ca -0.03 -2.52 0.00 0.00 -0.36 0.00 0.00 55.97 53.06 2edt s LYS 42 Cb 0.00 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 2edt s LYS 42 CO -0.06 -1.28 0.00 0.41 -0.36 0.00 0.00 175.35 174.06 2edt n GLY 43 N 2.75 3.19 0.05 5.54 0.00 -1.25 0.02 105.19 115.50 2edt n GLY 43 Ca 0.19 0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.57 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 11.35 0.07 -2.76 1.61 -0.04 -1.26 -4.76 135.00 139.22 2edt n PRO 44 Ca 0.00 0.32 -0.22 0.00 -0.04 0.00 0.00 63.50 63.56 2edt n PRO 44 Cb 0.00 -1.64 0.09 0.00 -0.04 0.00 0.00 33.50 31.91 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 -3.12 1.86 -0.19 0.54 2.02 0.10 -5.12 118.70 114.80 2edt s GLU 45 Ca 0.06 -1.34 -0.04 0.00 0.02 0.00 0.00 54.97 53.67 2edt s GLU 45 Cb 0.09 -2.44 0.09 0.00 0.10 0.00 0.00 34.13 31.97 2edt s GLU 45 CO 0.31 -1.27 0.24 0.54 0.02 0.00 0.00 175.26 175.10 2edt s ASN 46 N -4.73 1.08 0.42 -0.19 4.22 -1.26 -3.38 114.94 111.11 2edt s ASN 46 Ca 0.65 -0.03 -0.03 0.00 -2.14 0.00 0.00 52.86 51.31 2edt s ASN 46 Cb -0.05 0.49 -0.04 0.00 1.28 0.00 0.00 41.25 42.93 2edt s ASN 46 CO 0.43 -0.31 0.69 -0.76 -2.04 0.00 0.00 177.10 175.11 2edt s LEU 47 N 2.36 3.79 -0.05 3.54 1.43 -0.74 -4.93 118.68 124.07 2edt s LEU 47 Ca 0.06 0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 53.63 2edt s LEU 47 Cb -0.15 -3.67 0.11 0.00 0.03 0.00 0.00 46.19 42.51 2edt s LEU 47 CO -0.12 -0.46 0.93 0.00 0.23 0.00 0.00 176.35 176.94 2edt s ARG 48 N -4.51 0.74 -0.41 1.70 1.70 -1.26 -4.36 118.95 112.55 2edt s ARG 48 Ca 0.45 -0.19 -0.27 0.00 -0.47 0.00 0.00 55.73 55.25 2edt s ARG 48 Cb -0.10 0.34 -0.06 0.00 -0.57 0.00 0.00 34.95 34.56 2edt s ARG 48 CO 0.41 -0.31 2.36 0.16 -1.08 0.00 0.00 175.30 176.84 2edt s ASP 49 N -2.17 4.72 0.00 -2.89 -4.77 -1.26 -4.68 116.67 105.62 2edt s ASP 49 Ca 0.04 1.32 0.00 0.00 -3.30 0.00 0.00 52.55 50.61 2edt s ASP 49 Cb -0.01 -2.50 0.00 0.00 -1.09 0.00 0.00 42.92 39.32 2edt s ASP 49 CO -0.06 -2.62 0.00 0.61 0.70 0.00 0.00 175.17 173.79 2edt n GLY 50 N 5.94 4.85 0.12 2.12 0.00 -0.46 -4.99 105.19 112.77 2edt n GLY 50 Ca 0.35 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.24 -0.19 1.61 3.32 -2.02 -3.28 116.42 115.63 2edt h ASP 51 Ca 0.00 0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2edt h ASP 51 Cb 0.00 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2edt h ASP 51 CO 0.00 -0.07 0.14 0.08 -1.72 0.00 0.00 179.24 177.66 2edt h ARG 52 N -0.47 0.06 -4.35 3.56 0.11 -1.95 -3.35 114.38 107.99 2edt h ARG 52 Ca -0.03 -0.00 -0.72 0.00 0.10 0.00 0.00 59.98 59.32 2edt h ARG 52 Cb 0.21 -0.01 -0.28 0.00 1.11 0.00 0.00 29.97 31.00 2edt h ARG 52 CO 0.05 0.04 -0.41 0.71 0.10 0.00 0.00 179.97 180.46 2edt s TYR 53 N -5.10 3.36 -0.81 4.08 2.02 -1.23 -1.09 117.35 118.57 2edt s TYR 53 Ca -0.05 -1.60 -0.22 0.00 -0.37 0.00 0.00 57.07 54.83 2edt s TYR 53 Cb 0.18 -3.25 0.08 0.00 -0.40 0.00 0.00 41.96 38.56 2edt s TYR 53 CO 0.69 -0.91 1.14 0.42 -1.57 0.00 0.00 175.55 175.32 2edt s ILE 54 N 1.43 4.27 0.09 2.71 1.01 0.21 -1.36 121.20 129.57 2edt s ILE 54 Ca 0.04 -0.64 -0.04 0.00 0.00 0.00 0.00 60.65 60.01 2edt s ILE 54 Cb -0.25 -4.81 -0.05 0.00 0.01 0.00 0.00 42.46 37.36 2edt s ILE 54 CO 0.01 -1.62 0.32 -0.76 0.00 0.00 0.00 174.94 172.89 2edt s LEU 55 N 4.11 4.31 0.13 2.97 1.02 -1.26 -0.52 118.68 129.44 2edt s LEU 55 Ca 0.31 0.52 -0.10 0.00 0.02 0.00 0.00 54.13 54.88 2edt s LEU 55 Cb -0.09 -3.08 0.00 0.00 0.02 0.00 0.00 46.19 43.04 2edt s LEU 55 CO 0.02 0.13 0.28 -0.13 0.02 0.00 0.00 176.35 176.67 2edt s ARG 56 N -2.40 1.04 -0.26 1.70 0.52 0.88 -5.00 118.95 115.44 2edt s ARG 56 Ca 0.36 -1.01 -0.03 0.00 -0.52 0.00 0.00 55.73 54.54 2edt s ARG 56 Cb -0.13 0.39 0.14 0.00 0.52 0.00 0.00 34.95 35.87 2edt s ARG 56 CO 0.23 -0.38 0.46 -1.14 0.02 0.00 0.00 175.30 174.50 2edt s GLN 57 N -3.90 0.42 -0.55 3.54 0.74 -1.26 -1.38 119.66 117.28 2edt s GLN 57 Ca 0.10 0.78 0.01 0.00 0.05 0.00 0.00 55.36 56.31 2edt s GLN 57 Cb 0.03 -0.01 0.56 0.00 1.10 0.00 0.00 33.01 34.70 2edt s GLN 57 CO -0.06 -0.56 1.95 0.39 -0.55 0.00 0.00 175.29 176.46 2edt n GLU 58 N 5.39 2.46 0.00 1.67 -0.58 -0.72 -5.01 120.64 123.85 2edt n GLU 58 Ca -0.04 -3.16 0.00 0.00 -0.42 0.00 0.00 57.16 53.54 2edt n GLU 58 Cb 0.50 -2.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 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 -1.04 0.51 0.05 0.62 0.00 -1.26 -4.51 105.19 99.56 2edt n GLY 59 Ca 0.60 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 45.56 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 0.43 -4.51 2.61 -2.24 -1.26 -4.18 114.28 105.14 2edt n THR 60 Ca 0.00 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.42 2edt n THR 60 Cb 0.00 -0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 67.43 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 -3.07 3.43 0.13 -0.78 3.52 -1.26 0.17 118.95 121.09 2edt s ARG 61 Ca 0.11 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 55.23 2edt s ARG 61 Cb 0.14 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.69 2edt s ARG 61 CO 0.49 0.34 -0.04 0.00 -0.81 0.00 0.00 175.30 175.28 2edt s GLU 63 N -2.57 0.37 -0.10 0.00 8.01 -0.48 -2.72 118.70 121.21 2edt s GLU 63 Ca 0.25 0.16 0.02 0.00 0.01 0.00 0.00 54.97 55.42 2edt s GLU 63 Cb -0.10 -0.74 -0.01 0.00 -4.31 0.00 0.00 34.13 28.97 2edt s GLU 63 CO 0.17 -0.26 -0.18 -1.17 0.01 0.00 0.00 175.26 173.83 2edt s LEU 64 N 1.77 2.47 -0.21 1.80 2.96 -0.65 -0.08 118.68 126.73 2edt s LEU 64 Ca 0.01 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 2edt s LEU 64 Cb -0.13 -1.52 0.05 0.00 0.50 0.00 0.00 46.19 45.09 2edt s LEU 64 CO -0.04 0.20 -0.09 -1.10 -1.32 0.00 0.00 176.35 174.00 2edt s GLN 65 N 0.11 1.98 -0.67 1.98 -0.21 0.32 -2.70 119.66 120.47 2edt s GLN 65 Ca -0.08 -0.94 -0.22 0.00 0.02 0.00 0.00 55.36 54.14 2edt s GLN 65 Cb -0.15 -2.52 0.08 0.00 1.00 0.00 0.00 33.01 31.42 2edt s GLN 65 CO 0.05 -0.48 0.94 0.42 -2.12 0.00 0.00 175.29 174.10 2edt s ILE 66 N 1.35 4.43 -0.09 1.08 1.01 -1.25 -0.62 121.20 127.12 2edt s ILE 66 Ca -0.03 -0.56 -0.30 0.00 0.00 0.00 0.00 60.65 59.76 2edt s ILE 66 Cb -0.17 -4.66 -0.04 0.00 0.01 0.00 0.00 42.46 37.60 2edt s ILE 66 CO -0.07 -1.41 1.42 0.00 0.00 0.00 0.00 174.94 174.87 2edt n GLY 68 N 3.78 0.16 3.80 0.00 0.00 -1.24 -4.85 105.19 106.85 2edt n GLY 68 Ca 0.15 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.07 3.57 -0.01 0.99 1.43 -0.28 -4.84 118.68 118.47 2edt s LEU 69 Ca 0.00 1.83 -0.28 0.00 -1.03 0.00 0.00 54.13 54.64 2edt s LEU 69 Cb 0.00 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.77 2edt s LEU 69 CO 0.00 -1.06 0.75 0.00 0.23 0.00 0.00 176.35 176.26 2edt s ALA 70 N -2.37 -1.76 0.29 4.21 0.00 -1.26 -1.15 121.76 119.71 2edt s ALA 70 Ca 0.64 1.11 0.17 0.00 0.00 0.00 0.00 51.96 53.88 2edt s ALA 70 Cb -0.16 0.17 1.05 0.00 0.00 0.00 0.00 23.12 24.17 2edt s ALA 70 CO 0.33 -0.51 1.20 -1.33 0.00 0.00 0.00 175.76 175.45 2edt n MET 71 N 0.36 -0.04 -0.09 0.00 2.81 -1.26 0.22 117.12 119.12 2edt n MET 71 Ca -0.15 1.04 -0.10 0.00 -1.81 0.00 0.00 57.70 56.68 2edt n MET 71 Cb 0.60 -1.89 -0.03 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.47 0.37 -1.06 3.04 0.00 -2.00 -2.67 119.26 118.41 2edt h ALA 72 Ca 0.65 -0.09 0.34 0.00 0.00 0.00 0.00 54.91 55.81 2edt h ALA 72 Cb 1.79 -0.11 -0.14 0.00 0.00 0.00 0.00 17.79 19.32 2edt h ALA 72 CO -0.55 -0.08 0.63 -0.44 0.00 0.00 0.00 179.25 178.81 2edt h ASP 73 N 0.33 0.46 -2.29 0.00 5.19 0.23 -3.38 116.42 116.96 2edt h ASP 73 Ca 0.10 0.17 -0.57 0.00 -0.62 0.00 0.00 57.03 56.11 2edt h ASP 73 Cb 0.10 0.12 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 2edt h ASP 73 CO -0.01 -0.12 1.34 0.00 -3.12 0.00 0.00 179.24 177.33 2edt s ALA 74 N -5.57 3.05 0.00 3.45 0.00 -1.01 -4.73 121.76 116.95 2edt s ALA 74 Ca -0.09 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2edt s ALA 74 Cb 0.30 -3.97 0.00 0.00 0.00 0.00 0.00 23.12 19.44 2edt s ALA 74 CO 0.80 -2.33 0.00 0.41 0.00 0.00 0.00 175.76 174.64 2edt n GLY 75 N 5.23 1.18 2.68 0.00 0.00 -1.23 -4.98 105.19 108.07 2edt n GLY 75 Ca 0.25 0.33 -0.28 0.00 0.00 0.00 0.00 46.02 46.31 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 3.51 0.50 0.19 1.61 2.12 -1.26 -2.96 118.70 122.42 2edt s GLU 76 Ca 0.00 -0.56 -0.10 0.00 0.36 0.00 0.00 54.97 54.67 2edt s GLU 76 Cb 0.00 -1.86 -0.07 0.00 0.26 0.00 0.00 34.13 32.47 2edt s GLU 76 CO 0.00 -0.81 0.51 0.71 -0.54 0.00 0.00 175.26 175.14 2edt s TYR 77 N 1.88 3.48 0.01 5.30 1.51 -1.04 -3.74 117.35 124.74 2edt s TYR 77 Ca 0.04 0.86 0.04 0.00 -1.01 0.00 0.00 57.07 57.00 2edt s TYR 77 Cb -0.17 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 2edt s TYR 77 CO -0.18 0.34 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.97 2edt s LEU 78 N -2.56 2.08 -0.31 -1.29 1.02 0.96 -0.48 118.68 118.10 2edt s LEU 78 Ca 0.44 -0.30 0.03 0.00 0.02 0.00 0.00 54.13 54.32 2edt s LEU 78 Cb -0.12 -0.58 0.08 0.00 0.02 0.00 0.00 46.19 45.59 2edt s LEU 78 CO 0.21 0.09 -0.01 0.00 0.02 0.00 0.00 176.35 176.66 2edt s VAL 80 N 1.00 5.02 -0.17 0.00 1.01 -0.66 -2.01 120.40 124.59 2edt s VAL 80 Ca 0.03 1.12 0.13 0.00 0.00 0.00 0.00 61.98 63.26 2edt s VAL 80 Cb -0.19 -3.88 0.27 0.00 0.00 0.00 0.00 36.38 32.58 2edt s VAL 80 CO -0.07 0.40 1.17 0.00 0.00 0.00 0.00 175.10 176.59 2edt n GLY 82 N -0.90 1.97 0.09 0.00 0.00 -1.26 -4.63 105.19 100.46 2edt n GLY 82 Ca 0.13 -0.75 -0.00 0.00 0.00 0.00 0.00 46.02 45.39 2edt n GLY 82 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2edt n GLN 83 N 0.00 0.62 -4.40 1.61 7.27 -1.26 -4.92 117.38 116.30 2edt n GLN 83 Ca 0.00 0.23 -0.27 0.00 0.07 0.00 0.00 57.00 57.03 2edt n GLN 83 Cb 0.00 -1.81 -0.11 0.00 2.41 0.00 0.00 30.24 30.72 2edt n GLN 83 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2edt s GLU 84 N -2.92 1.61 -0.17 3.69 0.41 -1.26 -5.14 118.70 114.91 2edt s GLU 84 Ca -0.03 -1.47 -0.19 0.00 -0.41 0.00 0.00 54.97 52.87 2edt s GLU 84 Cb 0.09 -1.91 0.05 0.00 -1.78 0.00 0.00 34.13 30.58 2edt s GLU 84 CO 0.81 0.41 0.53 -0.98 -0.49 0.00 0.00 175.26 175.54 2edt s ARG 85 N -2.65 0.66 0.42 1.61 1.70 -1.26 -0.65 118.95 118.78 2edt s ARG 85 Ca 0.21 0.62 0.07 0.00 -0.47 0.00 0.00 55.73 56.16 2edt s ARG 85 Cb -0.08 0.32 -0.07 0.00 -0.57 0.00 0.00 34.95 34.55 2edt s ARG 85 CO 0.10 -0.11 0.08 -0.08 -1.08 0.00 0.00 175.30 174.22 2edt s THR 86 N 0.02 2.08 0.03 4.99 -1.32 -0.85 -4.94 115.64 115.66 2edt s THR 86 Ca -0.02 -1.88 -0.06 0.00 -1.21 0.00 0.00 61.69 58.52 2edt s THR 86 Cb -0.04 -2.96 -0.01 0.00 -1.51 0.00 0.00 72.50 67.98 2edt s THR 86 CO 0.02 0.00 0.11 -0.94 -2.21 0.00 0.00 174.62 171.60 2edt s SER 87 N -3.80 0.15 0.22 8.08 1.04 -1.26 -0.61 113.70 117.53 2edt s SER 87 Ca 0.36 -0.49 0.02 0.00 0.48 0.00 0.00 55.95 56.33 2edt s SER 87 Cb 0.07 0.23 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2edt s SER 87 CO 0.19 -0.50 0.24 0.00 0.98 0.00 0.00 173.24 174.16 2edt n ALA 88 N 0.84 0.18 -3.76 5.32 0.00 0.37 -4.62 120.51 118.84 2edt n ALA 88 Ca -0.19 -1.19 -0.26 0.00 0.00 0.00 0.00 53.44 51.80 2edt n ALA 88 Cb 0.58 0.96 -0.17 0.00 0.00 0.00 0.00 19.45 20.82 2edt n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2edt s THR 89 N -2.80 0.50 0.19 0.00 2.01 -1.26 -2.50 115.64 111.78 2edt s THR 89 Ca 0.23 -0.30 -0.08 0.00 0.31 0.00 0.00 61.69 61.85 2edt s THR 89 Cb 0.00 -0.86 -0.07 0.00 0.01 0.00 0.00 72.50 71.59 2edt s THR 89 CO 0.16 -0.01 0.49 -0.22 -0.69 0.00 0.00 174.62 174.36 2edt s LEU 90 N 1.89 4.22 -0.09 4.42 2.96 -1.16 -2.88 118.68 128.04 2edt s LEU 90 Ca 0.02 0.82 0.03 0.00 -0.22 0.00 0.00 54.13 54.78 2edt s LEU 90 Cb -0.15 -3.51 0.01 0.00 0.50 0.00 0.00 46.19 43.04 2edt s LEU 90 CO -0.07 -0.01 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.88 2edt s THR 91 N -1.72 1.60 0.07 3.68 2.01 -0.39 -3.48 115.64 117.41 2edt s THR 91 Ca 0.44 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.73 2edt s THR 91 Cb -0.12 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2edt s THR 91 CO 0.22 0.46 0.09 -0.63 -0.69 0.00 0.00 174.62 174.06 2edt s ILE 92 N 0.60 4.60 -0.23 1.82 -1.09 -1.26 0.82 121.20 126.46 2edt s ILE 92 Ca -0.15 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.58 2edt s ILE 92 Cb -0.16 -3.21 0.05 0.00 -1.58 0.00 0.00 42.46 37.56 2edt s ILE 92 CO 0.05 0.14 -0.13 -0.13 -1.23 0.00 0.00 174.94 173.64 2edt s ARG 93 N -2.35 2.43 -0.22 2.79 1.81 0.15 -4.89 118.95 118.67 2edt s ARG 93 Ca 0.29 -1.18 -0.38 0.00 -1.72 0.00 0.00 55.73 52.74 2edt s ARG 93 Cb -0.12 -2.77 -0.14 0.00 -0.45 0.00 0.00 34.95 31.46 2edt s ARG 93 CO 0.22 -0.46 1.80 0.00 -0.68 0.00 0.00 175.30 176.17 2edt n ALA 94 N 4.50 0.17 -1.51 2.13 0.00 -1.26 -1.46 120.51 123.08 2edt n ALA 94 Ca -0.16 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.23 2edt n ALA 94 Cb 0.44 -2.32 0.02 0.00 0.00 0.00 0.00 19.45 17.60 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 5.85 1.16 0.18 0.00 4.77 -1.26 -4.85 117.00 122.84 2edt n LEU 95 Ca 0.25 0.87 0.14 0.00 -0.03 0.00 0.00 56.01 57.24 2edt n LEU 95 Cb 0.18 -1.21 0.56 0.00 -2.33 0.00 0.00 43.42 40.62 2edt n LEU 95 CO 0.79 -2.54 0.90 1.55 -1.33 0.00 0.00 177.39 176.76 2edt h PRO 96 N 0.75 0.00 -6.01 3.23 0.13 -1.89 -3.46 132.00 124.75 2edt h PRO 96 Ca -0.44 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.93 2edt h PRO 96 Cb 1.38 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.57 2edt h PRO 96 CO 0.51 0.00 -0.03 0.45 -0.23 0.00 0.00 178.00 178.70 2edt n SER 97 N -2.51 -0.19 0.00 1.44 2.88 -1.26 -3.66 113.62 110.33 2edt n SER 97 Ca 0.02 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2edt n SER 97 Cb 0.25 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 62.78 2edt n SER 97 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2edt n GLY 98 N 1.60 -0.75 0.00 0.46 0.00 -1.26 -4.47 105.19 100.77 2edt n GLY 98 Ca 0.20 -2.07 0.08 0.00 0.00 0.00 0.00 46.02 44.22 2edt n GLY 98 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2edt n PRO 99 N 0.00 0.49 -3.22 1.61 -0.04 -1.26 -4.10 135.00 128.47 2edt n PRO 99 Ca 0.00 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.05 2edt n PRO 99 Cb 0.00 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 31.97 2edt n PRO 99 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2edt n SER 100 N -0.98 5.66 -4.59 3.54 7.64 -1.24 -5.03 113.62 118.62 2edt n SER 100 Ca 0.11 -3.27 -0.25 0.00 1.01 0.00 0.00 58.87 56.47 2edt n SER 100 Cb 0.05 -1.23 0.12 0.00 -1.01 0.00 0.00 64.21 62.14 2edt n SER 100 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2edt s SER 101 N -0.68 4.14 0.00 6.43 0.01 -1.25 -4.34 113.70 118.01 2edt s SER 101 Ca 0.31 -0.11 0.28 0.00 1.31 0.00 0.00 55.95 57.74 2edt s SER 101 Cb -0.00 -0.25 0.95 0.00 0.21 0.00 0.00 66.02 66.93 2edt s SER 101 CO 0.01 -2.01 1.69 0.61 0.41 0.00 0.00 173.24 173.95