#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s SER 24 N 0.00 6.85 0.00 0.00 0.15 -1.26 -4.93 113.70 114.51 3hty s SER 24 Ca 0.00 1.16 0.28 0.00 0.70 0.00 0.00 55.95 58.09 3hty s SER 24 Cb 0.00 -2.32 1.00 0.00 -1.71 0.00 0.00 66.02 62.99 3hty s SER 24 CO 0.00 0.03 1.76 0.00 1.20 0.00 0.00 173.24 176.22 3hty n ILE 25 N 0.53 0.00 -2.14 6.45 3.06 -1.26 -4.84 119.36 121.16 3hty n ILE 25 Ca -0.03 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.79 3hty n ILE 25 Cb 0.52 -0.21 -0.03 0.00 0.54 0.00 0.00 39.64 40.46 3hty n ILE 25 CO 0.00 0.00 0.00 -0.69 -2.50 0.00 0.00 176.55 173.36 3hty s VAL 26 N -2.93 3.27 -5.00 9.51 1.01 -1.26 -4.87 120.40 120.13 3hty s VAL 26 Ca 0.15 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.02 3hty s VAL 26 Cb 0.19 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.00 3hty s VAL 26 CO 0.58 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3hty n GLY 27 N 3.55 -0.14 3.63 4.51 0.00 -1.26 -5.04 105.19 110.43 3hty n GLY 27 Ca 0.12 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.07 3hty n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hty s SER 28 N -1.89 6.09 -0.19 1.61 0.15 -1.26 -4.35 113.70 113.85 3hty s SER 28 Ca 0.00 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 3hty s SER 28 Cb 0.00 -2.12 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 3hty s SER 28 CO 0.00 -0.00 -0.13 0.26 1.20 0.00 0.00 173.24 174.57 3hty s TRP 29 N 1.43 2.85 0.16 3.44 0.52 0.89 -1.43 118.94 126.80 3hty s TRP 29 Ca 0.08 -1.22 0.03 0.00 0.02 0.00 0.00 56.10 55.01 3hty s TRP 29 Cb -0.15 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.15 3hty s TRP 29 CO 0.08 -0.62 -0.04 0.14 0.02 0.00 0.00 176.95 176.53 3hty s VAL 30 N 1.23 0.85 0.09 4.03 -7.23 -0.44 -0.60 120.40 118.32 3hty s VAL 30 Ca 0.02 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.15 3hty s VAL 30 Cb -0.14 -1.97 -0.02 0.00 0.56 0.00 0.00 36.38 34.80 3hty s VAL 30 CO -0.06 -0.62 0.10 -1.83 -0.31 0.00 0.00 175.10 172.38 3hty s GLU 31 N -3.85 0.82 0.55 4.82 -1.05 0.02 -0.74 118.70 119.27 3hty s GLU 31 Ca 0.20 -1.17 -0.21 0.00 -0.15 0.00 0.00 54.97 53.63 3hty s GLU 31 Cb 0.05 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 3hty s GLU 31 CO 0.02 -0.23 1.29 -2.14 0.95 0.00 0.00 175.26 175.15 3hty s PRO 32 N -3.93 3.17 -0.12 -4.83 0.02 -1.26 -1.04 135.00 127.00 3hty s PRO 32 Ca 0.11 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.91 3hty s PRO 32 Cb 0.06 -2.20 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 3hty s PRO 32 CO -0.07 -1.11 1.16 0.08 -0.33 0.00 0.00 177.00 176.73 3hty s VAL 33 N -1.40 4.43 0.12 3.83 1.01 -0.78 -4.70 120.40 122.91 3hty s VAL 33 Ca 0.72 1.73 -0.34 0.00 0.00 0.00 0.00 61.98 64.09 3hty s VAL 33 Cb -0.36 -4.11 -0.14 0.00 0.00 0.00 0.00 36.38 31.76 3hty s VAL 33 CO 0.42 -0.07 1.60 -2.65 0.00 0.00 0.00 175.10 174.40 3hty n PRO 34 N 5.74 2.05 -0.19 2.72 -0.02 -1.26 -1.74 135.00 142.30 3hty n PRO 34 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 3hty n PRO 34 Cb 0.46 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hty n GLY 35 N 3.46 1.97 2.52 -1.23 0.00 -1.26 -4.96 105.19 105.69 3hty n GLY 35 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hty n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hty s LEU 36 N 0.00 1.66 0.26 0.99 1.43 -0.71 -5.05 118.68 117.26 3hty s LEU 36 Ca 0.00 -2.58 -0.10 0.00 -1.03 0.00 0.00 54.13 50.42 3hty s LEU 36 Cb 0.00 -0.61 0.40 0.00 0.03 0.00 0.00 46.19 46.01 3hty s LEU 36 CO 0.00 -0.25 1.57 -0.33 0.23 0.00 0.00 176.35 177.57 3hty h GLU 37 N 6.54 -0.00 -0.07 1.70 5.08 -1.94 -1.87 114.58 124.02 3hty h GLU 37 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hty h GLU 37 Cb 0.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3hty h GLU 37 CO 0.36 -0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.78 3hty n GLY 38 N -1.58 -0.33 3.74 -3.84 0.00 -1.26 -4.83 105.19 97.09 3hty n GLY 38 Ca 0.14 -0.29 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3hty n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 39 N -1.91 2.63 0.14 1.61 1.11 -0.70 -5.05 119.66 117.49 3hty s GLN 39 Ca 0.33 -1.20 0.07 0.00 0.01 0.00 0.00 55.36 54.57 3hty s GLN 39 Cb 0.17 -2.39 -0.04 0.00 -1.01 0.00 0.00 33.01 29.74 3hty s GLN 39 CO 0.27 0.39 -0.15 0.14 0.01 0.00 0.00 175.29 175.95 3hty s VAL 40 N -2.16 1.49 0.07 1.09 -7.23 -1.26 -1.86 120.40 110.53 3hty s VAL 40 Ca 0.32 -1.83 -0.08 0.00 -1.81 0.00 0.00 61.98 58.57 3hty s VAL 40 Cb -0.07 -1.68 -0.00 0.00 0.56 0.00 0.00 36.38 35.18 3hty s VAL 40 CO 0.22 -0.42 0.17 0.00 -0.31 0.00 0.00 175.10 174.76 3hty s GLN 41 N -2.85 0.76 0.00 4.82 -2.07 -0.21 -4.73 119.66 115.39 3hty s GLN 41 Ca 0.12 -0.86 0.00 0.00 -1.82 0.00 0.00 55.36 52.80 3hty s GLN 41 Cb -0.04 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 3hty s GLN 41 CO 0.04 -0.23 0.00 0.41 -1.32 0.00 0.00 175.29 174.19 3hty n GLY 42 N 0.24 -0.67 2.96 2.60 0.00 -0.71 -0.80 105.19 108.82 3hty n GLY 42 Ca -0.16 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.26 3hty n GLY 42 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hty s ILE 43 N -4.00 0.47 0.57 -0.61 2.07 0.23 -0.49 121.20 119.43 3hty s ILE 43 Ca 0.00 -0.23 0.06 0.00 -1.41 0.00 0.00 60.65 59.07 3hty s ILE 43 Cb 0.00 -0.41 0.05 0.00 0.13 0.00 0.00 42.46 42.23 3hty s ILE 43 CO 0.00 0.14 0.46 -0.75 -1.91 0.00 0.00 174.94 172.88 3hty s LYS 44 N 0.01 2.23 -0.18 3.50 2.20 -0.01 -0.07 119.74 127.42 3hty s LYS 44 Ca 0.00 -2.04 -0.30 0.00 -0.36 0.00 0.00 55.97 53.27 3hty s LYS 44 Cb -0.04 -2.13 0.14 0.00 -1.51 0.00 0.00 37.83 34.29 3hty s LYS 44 CO -0.00 -0.71 1.06 -1.21 -0.36 0.00 0.00 175.35 174.13 3hty s GLU 46 N -4.35 0.50 0.34 4.03 2.02 0.06 -1.14 118.70 120.16 3hty s GLU 46 Ca 0.35 0.10 -0.28 0.00 0.02 0.00 0.00 54.97 55.16 3hty s GLU 46 Cb -0.03 0.24 -0.12 0.00 0.10 0.00 0.00 34.13 34.31 3hty s GLU 46 CO 0.22 -0.16 1.25 0.39 0.02 0.00 0.00 175.26 176.98 3hty n GLU 47 N 0.63 2.01 0.00 1.61 4.71 -1.26 -2.07 120.64 126.27 3hty n GLU 47 Ca -0.08 0.71 0.00 0.00 -0.01 0.00 0.00 57.16 57.78 3hty n GLU 47 Cb 0.58 -2.27 0.00 0.00 -1.01 0.00 0.00 31.44 28.74 3hty n GLU 47 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hty n GLY 48 N 0.83 0.96 0.00 0.62 0.00 -1.26 -4.49 105.19 101.85 3hty n GLY 48 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3hty n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hty n GLY 49 N -2.00 0.44 3.74 -0.02 0.00 -0.88 -5.04 105.19 101.43 3hty n GLY 49 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hty n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hty s VAL 50 N -2.00 4.02 0.09 1.61 1.01 -1.24 -1.21 120.40 122.67 3hty s VAL 50 Ca 0.00 1.73 0.07 0.00 0.00 0.00 0.00 61.98 63.78 3hty s VAL 50 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 3hty s VAL 50 CO 0.00 0.29 -0.18 0.00 0.00 0.00 0.00 175.10 175.21 3hty s ALA 51 N -0.21 1.53 -0.02 5.51 0.00 -0.88 -0.76 121.76 126.93 3hty s ALA 51 Ca 0.49 -1.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.25 3hty s ALA 51 Cb -0.28 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.67 3hty s ALA 51 CO 0.34 0.28 0.14 -1.54 0.00 0.00 0.00 175.76 174.97 3hty s SER 52 N -1.84 -0.05 0.43 0.00 1.04 -0.29 -3.17 113.70 109.82 3hty s SER 52 Ca 0.03 0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.23 3hty s SER 52 Cb -0.10 0.25 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 3hty s SER 52 CO 0.03 -0.22 1.14 -0.44 0.98 0.00 0.00 173.24 174.74 3hty s SER 53 N -0.72 6.42 -0.33 7.02 0.01 -1.26 -0.83 113.70 124.00 3hty s SER 53 Ca -0.08 2.27 -0.04 0.00 1.31 0.00 0.00 55.95 59.41 3hty s SER 53 Cb -0.05 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.63 3hty s SER 53 CO 0.01 -0.74 0.07 -0.69 0.41 0.00 0.00 173.24 172.30 3hty s VAL 54 N -1.52 3.42 -0.47 3.43 1.01 0.36 -4.82 120.40 121.81 3hty s VAL 54 Ca 0.60 -1.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.17 3hty s VAL 54 Cb -0.28 -2.99 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3hty s VAL 54 CO 0.35 -0.20 0.54 0.59 0.00 0.00 0.00 175.10 176.38 3hty n ASN 55 N 4.72 -7.02 0.00 3.32 3.02 -1.26 -1.73 115.26 116.30 3hty n ASN 55 Ca -0.12 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 3hty n ASN 55 Cb 0.44 -4.72 0.00 0.00 -0.61 0.00 0.00 39.78 34.89 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hty n ALA 57 N -0.84 0.71 0.09 5.41 0.00 -1.26 -4.91 120.51 119.71 3hty n ALA 57 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.28 3hty n ALA 57 Cb 0.43 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.74 3hty n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hty h THR 58 N 0.00 1.35 -3.00 0.00 2.02 -1.95 -3.41 112.91 107.91 3hty h THR 58 Ca 0.00 -2.49 -0.67 0.00 0.77 0.00 0.00 66.41 64.03 3hty h THR 58 Cb 0.00 2.87 -0.17 0.00 -1.74 0.00 0.00 68.15 69.12 3hty h THR 58 CO 0.00 0.74 0.26 -0.22 0.37 0.00 0.00 175.52 176.67 3hty s LEU 59 N -7.87 4.84 -0.42 2.58 2.96 -1.26 -1.22 118.68 118.29 3hty s LEU 59 Ca -0.11 -1.01 -0.06 0.00 -0.22 0.00 0.00 54.13 52.73 3hty s LEU 59 Cb 0.04 -2.45 0.09 0.00 0.50 0.00 0.00 46.19 44.37 3hty s LEU 59 CO 0.90 -1.14 0.23 -0.69 -1.32 0.00 0.00 176.35 174.34 3hty s VAL 60 N 3.17 3.80 0.46 1.68 1.01 0.18 -4.77 120.40 125.92 3hty s VAL 60 Ca 0.18 -1.69 -0.21 0.00 0.00 0.00 0.00 61.98 60.25 3hty s VAL 60 Cb -0.19 -3.44 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3hty s VAL 60 CO 0.11 -0.59 1.03 -0.31 0.00 0.00 0.00 175.10 175.35 3hty s TYR 61 N 1.30 3.08 0.00 5.22 2.02 -1.26 -0.78 117.35 126.93 3hty s TYR 61 Ca 0.04 1.60 0.00 0.00 -0.37 0.00 0.00 57.07 58.34 3hty s TYR 61 Cb -0.23 -3.06 0.00 0.00 -0.40 0.00 0.00 41.96 38.26 3hty s TYR 61 CO -0.01 -0.73 0.00 0.39 -1.57 0.00 0.00 175.55 173.63 3hty n GLU 62 N -0.72 1.05 -3.65 -0.62 1.02 0.18 -4.19 120.64 113.71 3hty n GLU 62 Ca 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.12 3hty n GLU 62 Cb 0.52 -0.73 -0.05 0.00 -0.02 0.00 0.00 31.44 31.16 3hty n GLU 62 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hty s SER 63 N -2.59 -0.22 0.03 1.62 1.04 -1.02 -2.07 113.70 110.50 3hty s SER 63 Ca 0.00 -0.34 0.01 0.00 0.48 0.00 0.00 55.95 56.10 3hty s SER 63 Cb 0.00 0.47 -0.02 0.00 0.10 0.00 0.00 66.02 66.57 3hty s SER 63 CO 0.00 -0.85 -0.05 -1.66 0.98 0.00 0.00 173.24 171.66 3hty s TRP 64 N -3.81 0.41 -0.15 5.02 1.48 -0.35 -1.49 118.94 120.05 3hty s TRP 64 Ca 0.03 -0.47 -0.13 0.00 -1.06 0.00 0.00 56.10 54.48 3hty s TRP 64 Cb 0.02 -0.26 0.04 0.00 -1.16 0.00 0.00 33.47 32.11 3hty s TRP 64 CO -0.12 -0.13 0.40 0.21 -4.06 0.00 0.00 176.95 173.25 3hty s LYS 65 N -1.36 0.45 -0.22 3.25 2.20 -0.46 -4.56 119.74 119.04 3hty s LYS 65 Ca -0.12 0.61 -0.10 0.00 -0.36 0.00 0.00 55.97 56.00 3hty s LYS 65 Cb -0.09 0.16 -0.05 0.00 -1.51 0.00 0.00 37.83 36.34 3hty s LYS 65 CO -0.00 -0.08 0.14 -1.14 -0.36 0.00 0.00 175.35 173.91 3hty s GLN 66 N 0.51 4.13 -0.27 4.03 0.74 -1.26 -0.06 119.66 127.49 3hty s GLN 66 Ca -0.02 -0.24 0.00 0.00 0.05 0.00 0.00 55.36 55.14 3hty s GLN 66 Cb -0.04 -3.48 0.08 0.00 1.10 0.00 0.00 33.01 30.67 3hty s GLN 66 CO -0.03 0.19 0.03 -1.21 -0.55 0.00 0.00 175.29 173.72 3hty s GLU 67 N 0.69 1.15 7.65 1.67 2.02 0.34 -5.00 118.70 127.23 3hty s GLU 67 Ca 0.08 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 54.00 3hty s GLU 67 Cb -0.12 -2.41 0.00 0.00 0.10 0.00 0.00 34.13 31.70 3hty s GLU 67 CO 0.01 -0.79 0.00 0.41 0.02 0.00 0.00 175.26 174.91 3hty n GLY 68 N 4.72 3.12 1.30 -1.39 0.00 -1.26 -1.04 105.19 110.64 3hty n GLY 68 Ca -0.06 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.89 3hty n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hty n THR 69 N 0.00 1.13 -3.82 2.61 -2.24 -1.26 -4.94 114.28 105.76 3hty n THR 69 Ca 0.00 -0.94 -0.32 0.00 -2.27 0.00 0.00 64.05 60.52 3hty n THR 69 Cb 0.00 0.32 -0.05 0.00 -2.10 0.00 0.00 70.33 68.50 3hty n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3hty s LYS 70 N -1.35 3.51 -0.14 -0.78 -0.14 -0.21 -1.12 119.74 119.52 3hty s LYS 70 Ca 0.45 -0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.82 3hty s LYS 70 Cb 0.25 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.41 3hty s LYS 70 CO 0.27 0.59 -0.22 -1.17 -0.76 0.00 0.00 175.35 174.06 3hty s LEU 71 N -2.34 2.09 -0.29 3.17 2.96 -1.26 -0.50 118.68 122.51 3hty s LEU 71 Ca 0.34 -0.60 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 3hty s LEU 71 Cb -0.13 -1.43 0.01 0.00 0.50 0.00 0.00 46.19 45.14 3hty s LEU 71 CO 0.24 0.07 0.08 -0.63 -1.32 0.00 0.00 176.35 174.79 3hty s ILE 72 N 0.85 4.01 -0.16 6.68 1.09 0.92 -4.34 121.20 130.25 3hty s ILE 72 Ca -0.06 -0.64 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 3hty s ILE 72 Cb -0.15 -3.05 -0.02 0.00 -1.06 0.00 0.00 42.46 38.18 3hty s ILE 72 CO -0.03 0.10 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.08 3hty s LEU 73 N 1.51 2.97 0.15 2.97 1.43 -0.12 -1.36 118.68 126.25 3hty s LEU 73 Ca 0.03 -0.26 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 3hty s LEU 73 Cb -0.17 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3hty s LEU 73 CO 0.03 0.13 -0.06 0.42 0.23 0.00 0.00 176.35 177.10 3hty s THR 74 N 0.57 3.47 -0.75 5.49 -4.23 -0.55 -0.67 115.64 118.97 3hty s THR 74 Ca -0.05 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3hty s THR 74 Cb -0.15 -2.70 0.00 0.00 1.34 0.00 0.00 72.50 70.99 3hty s THR 74 CO 0.03 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3hty n GLY 75 N 0.20 -0.61 3.01 3.99 0.00 -0.64 -0.65 105.19 110.49 3hty n GLY 75 Ca -0.11 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 3hty n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hty s LYS 76 N -0.30 0.40 -0.22 1.61 1.02 0.04 -0.62 119.74 121.66 3hty s LYS 76 Ca 0.00 -0.59 -0.05 0.00 0.02 0.00 0.00 55.97 55.36 3hty s LYS 76 Cb 0.00 -0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.16 3hty s LYS 76 CO 0.00 0.02 -0.01 0.45 -0.92 0.00 0.00 175.35 174.89 3hty s SER 77 N -1.26 4.58 -0.07 2.83 0.15 0.31 -0.65 113.70 119.59 3hty s SER 77 Ca -0.10 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.29 3hty s SER 77 Cb -0.08 -1.79 -0.01 0.00 -1.71 0.00 0.00 66.02 62.43 3hty s SER 77 CO -0.00 -0.01 -0.24 -0.63 1.20 0.00 0.00 173.24 173.56 3hty s ILE 78 N 1.41 2.02 0.00 6.45 1.01 -0.36 -0.86 121.20 130.88 3hty s ILE 78 Ca 0.05 -1.03 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3hty s ILE 78 Cb -0.14 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3hty s ILE 78 CO -0.01 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.10 3hty n GLY 79 N 3.16 1.09 3.57 6.18 0.00 -0.71 -4.50 105.19 113.98 3hty n GLY 79 Ca -0.18 -0.73 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 3hty n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hty n ASN 80 N 0.00 -4.48 -0.95 1.61 3.02 -1.26 -1.09 115.26 112.11 3hty n ASN 80 Ca 0.00 -0.56 -0.12 0.00 -0.03 0.00 0.00 54.58 53.87 3hty n ASN 80 Cb 0.00 -3.63 -0.05 0.00 -0.61 0.00 0.00 39.78 35.48 3hty n ASN 80 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hty n GLY 81 N -1.43 1.32 3.20 7.41 0.00 -1.26 -4.99 105.19 109.43 3hty n GLY 81 Ca -0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 3hty n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hty s GLN 82 N -2.99 0.90 -0.05 1.61 -0.21 -0.25 -5.15 119.66 113.53 3hty s GLN 82 Ca 0.00 -1.25 0.01 0.00 0.02 0.00 0.00 55.36 54.14 3hty s GLN 82 Cb 0.00 -0.53 0.02 0.00 1.00 0.00 0.00 33.01 33.49 3hty s GLN 82 CO 0.00 0.07 -0.07 0.99 -2.12 0.00 0.00 175.29 174.16 3hty s THR 83 N -2.76 0.73 -0.13 -0.19 2.01 -1.26 -1.74 115.64 112.30 3hty s THR 83 Ca 0.09 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.86 3hty s THR 83 Cb -0.01 -0.72 0.02 0.00 0.01 0.00 0.00 72.50 71.80 3hty s THR 83 CO -0.00 0.27 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.44 3hty s ILE 84 N 0.84 1.40 0.45 1.82 1.01 -0.03 -4.96 121.20 121.72 3hty s ILE 84 Ca -0.12 -0.54 -0.22 0.00 0.00 0.00 0.00 60.65 59.76 3hty s ILE 84 Cb -0.15 -1.32 -0.08 0.00 0.01 0.00 0.00 42.46 40.92 3hty s ILE 84 CO 0.01 0.43 1.09 -1.61 0.00 0.00 0.00 174.94 174.86 3hty s GLU 85 N 1.37 3.88 0.05 2.79 0.41 -1.26 -0.53 118.70 125.41 3hty s GLU 85 Ca 0.01 1.56 0.01 0.00 -0.41 0.00 0.00 54.97 56.14 3hty s GLU 85 Cb -0.13 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.85 3hty s GLU 85 CO -0.07 -0.40 -0.05 -0.59 -0.49 0.00 0.00 175.26 173.66 3hty s PHE 86 N -1.72 0.58 -0.21 1.61 -0.12 0.21 -4.88 117.98 113.44 3hty s PHE 86 Ca 0.63 -0.75 -0.04 0.00 -0.05 0.00 0.00 56.93 56.72 3hty s PHE 86 Cb -0.23 -0.37 0.07 0.00 -0.63 0.00 0.00 43.02 41.86 3hty s PHE 86 CO 0.28 -0.20 0.07 0.08 -0.05 0.00 0.00 175.22 175.40 3hty s VAL 87 N -2.58 0.23 -0.13 -2.49 1.01 -1.26 -1.61 120.40 113.57 3hty s VAL 87 Ca -0.02 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 3hty s VAL 87 Cb -0.02 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 3hty s VAL 87 CO -0.04 -0.35 0.00 -1.81 0.00 0.00 0.00 175.10 172.91 3hty s ASP 88 N 1.98 5.19 0.25 3.32 1.01 0.15 -4.96 116.67 123.62 3hty s ASP 88 Ca 0.02 0.04 0.09 0.00 0.71 0.00 0.00 52.55 53.42 3hty s ASP 88 Cb -0.17 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 3hty s ASP 88 CO -0.14 0.26 0.03 -0.89 0.21 0.00 0.00 175.17 174.64 3hty s THR 89 N -0.18 3.63 -0.07 -1.27 2.01 -1.26 -0.94 115.64 117.56 3hty s THR 89 Ca 0.05 -1.78 0.04 0.00 0.31 0.00 0.00 61.69 60.31 3hty s THR 89 Cb -0.12 -2.93 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3hty s THR 89 CO 0.02 -0.34 -0.18 -1.81 -0.69 0.00 0.00 174.62 171.62 3hty s ASP 91 N -3.61 2.37 -0.41 3.53 1.01 -0.30 -4.82 116.67 114.45 3hty s ASP 91 Ca 0.31 -0.41 -0.25 0.00 0.71 0.00 0.00 52.55 52.91 3hty s ASP 91 Cb -0.07 -0.92 0.02 0.00 1.01 0.00 0.00 42.92 42.96 3hty s ASP 91 CO 0.20 0.12 0.89 -0.63 0.21 0.00 0.00 175.17 175.97 3hty s ILE 92 N 0.30 4.57 -0.11 0.77 1.01 -0.27 -0.85 121.20 126.62 3hty s ILE 92 Ca -0.11 0.91 0.16 0.00 0.00 0.00 0.00 60.65 61.61 3hty s ILE 92 Cb -0.15 -4.35 -0.15 0.00 0.01 0.00 0.00 42.46 37.83 3hty s ILE 92 CO 0.05 -0.65 0.80 0.29 0.00 0.00 0.00 174.94 175.43 3hty n LYS 93 N 6.86 0.62 -3.68 2.79 4.76 0.52 -4.93 118.16 125.11 3hty n LYS 93 Ca 0.06 0.23 -0.14 0.00 -2.87 0.00 0.00 58.31 55.59 3hty n LYS 93 Cb 0.48 -1.81 -0.08 0.00 -1.84 0.00 0.00 35.03 31.78 3hty n LYS 93 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 3hty s ARG 94 N -2.89 0.68 -0.25 1.97 3.52 -1.17 -4.95 118.95 115.87 3hty s ARG 94 Ca -0.03 0.69 -0.02 0.00 -0.13 0.00 0.00 55.73 56.23 3hty s ARG 94 Cb 0.09 0.33 0.14 0.00 -1.56 0.00 0.00 34.95 33.94 3hty s ARG 94 CO 0.81 -0.10 0.38 -1.17 -0.81 0.00 0.00 175.30 174.41 3hty s LEU 95 N 0.11 -0.64 0.00 -0.88 2.96 -1.26 -1.24 118.68 117.73 3hty s LEU 95 Ca -0.01 0.15 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3hty s LEU 95 Cb -0.04 1.10 -0.01 0.00 0.50 0.00 0.00 46.19 47.75 3hty s LEU 95 CO 0.02 -0.31 0.05 0.35 -1.32 0.00 0.00 176.35 175.14 3hty n THR 96 N 5.36 0.00 0.23 3.68 -2.24 0.05 -4.74 114.28 116.63 3hty n THR 96 Ca -0.03 -1.12 0.07 0.00 -2.27 0.00 0.00 64.05 60.71 3hty n THR 96 Cb 0.50 0.36 0.61 0.00 -2.10 0.00 0.00 70.33 69.70 3hty n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hty h ALA 97 N 1.28 1.95 0.00 6.98 0.00 -1.95 -3.29 119.26 124.22 3hty h ALA 97 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hty h ALA 97 Cb 0.57 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3hty h ALA 97 CO 0.25 0.04 -0.60 -0.25 0.00 0.00 0.00 179.25 178.69 3hty n ASP 98 N -4.52 1.35 -4.01 0.00 8.00 -1.26 -4.78 116.55 111.33 3hty n ASP 98 Ca -0.02 -0.43 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3hty n ASP 98 Cb 0.10 1.09 -0.11 0.00 -0.02 0.00 0.00 41.12 42.18 3hty n ASP 98 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3hty s SER 99 N -1.93 0.49 -0.11 -2.24 0.01 -1.24 -0.69 113.70 107.99 3hty s SER 99 Ca 0.01 -0.50 -0.03 0.00 1.31 0.00 0.00 55.95 56.73 3hty s SER 99 Cb 0.04 0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.39 3hty s SER 99 CO 0.25 -0.25 0.11 -0.22 0.41 0.00 0.00 173.24 173.54 3hty s LEU 100 N -1.46 0.12 -0.17 2.44 2.96 -0.59 -0.77 118.68 121.22 3hty s LEU 100 Ca -0.13 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3hty s LEU 100 Cb -0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.57 3hty s LEU 100 CO -0.00 -0.29 -0.09 -0.69 -1.32 0.00 0.00 176.35 173.96 3hty s VAL 101 N 2.21 3.24 -0.04 1.68 1.01 -0.37 -0.09 120.40 128.03 3hty s VAL 101 Ca 0.04 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3hty s VAL 101 Cb -0.14 -2.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.83 3hty s VAL 101 CO -0.06 0.49 -0.22 -0.76 0.00 0.00 0.00 175.10 174.54 3hty s LEU 102 N 0.76 2.02 -0.15 3.92 1.43 0.40 -0.35 118.68 126.71 3hty s LEU 102 Ca -0.04 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3hty s LEU 102 Cb -0.15 -1.20 -0.00 0.00 0.03 0.00 0.00 46.19 44.87 3hty s LEU 102 CO 0.02 0.23 -0.15 -0.62 0.23 0.00 0.00 176.35 176.05 3hty s ASP 103 N -0.23 3.68 -0.33 2.29 -1.08 -0.03 -0.08 116.67 120.88 3hty s ASP 103 Ca 0.00 -0.45 0.01 0.00 -0.52 0.00 0.00 52.55 51.59 3hty s ASP 103 Cb -0.11 -1.56 0.10 0.00 -1.46 0.00 0.00 42.92 39.89 3hty s ASP 103 CO 0.02 0.10 0.10 0.21 0.52 0.00 0.00 175.17 176.12 3hty s ASN 104 N 0.73 4.17 1.48 -0.34 2.47 -1.26 -1.15 114.94 121.04 3hty s ASN 104 Ca -0.07 -1.86 0.00 0.00 0.42 0.00 0.00 52.86 51.35 3hty s ASN 104 Cb -0.16 -1.06 0.00 0.00 -1.45 0.00 0.00 41.25 38.59 3hty s ASN 104 CO 0.01 -0.39 0.00 0.00 -3.72 0.00 0.00 177.10 173.00 3hty n GLN 105 N 4.58 0.00 -1.53 0.43 6.02 -1.26 -4.70 117.38 120.91 3hty n GLN 105 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 3hty n GLN 105 Cb 0.41 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.62 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hty n GLY 106 N 0.00 4.38 3.63 1.08 0.00 -1.26 -5.16 105.19 107.87 3hty n GLY 106 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 3hty n GLY 106 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hty s GLU 108 N -0.20 0.49 -0.07 1.61 2.12 -1.26 -5.22 118.70 116.17 3hty s GLU 108 Ca 0.61 0.54 0.03 0.00 0.36 0.00 0.00 54.97 56.51 3hty s GLU 108 Cb 0.26 0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.90 3hty s GLU 108 CO -0.10 -0.07 -0.16 -1.50 -0.54 0.00 0.00 175.26 172.89 3hty s ILE 109 N 0.12 1.40 -0.21 -3.70 1.10 0.88 -4.99 121.20 115.80 3hty s ILE 109 Ca 0.03 -0.64 -0.01 0.00 -0.51 0.00 0.00 60.65 59.52 3hty s ILE 109 Cb -0.05 -1.25 0.01 0.00 0.15 0.00 0.00 42.46 41.32 3hty s ILE 109 CO -0.06 0.41 -0.11 -0.13 -2.11 0.00 0.00 174.94 172.95 3hty s ARG 110 N 0.53 3.11 0.12 3.50 0.52 -1.26 -0.46 118.95 125.01 3hty s ARG 110 Ca -0.15 -0.78 0.08 0.00 -0.52 0.00 0.00 55.73 54.36 3hty s ARG 110 Cb -0.16 -2.84 -0.04 0.00 0.52 0.00 0.00 34.95 32.43 3hty s ARG 110 CO 0.05 -0.25 -0.14 0.71 0.02 0.00 0.00 175.30 175.69 3hty s TYR 111 N 1.37 2.61 -0.02 -0.53 2.02 0.87 -4.66 117.35 119.01 3hty s TYR 111 Ca 0.04 -0.22 0.04 0.00 -0.37 0.00 0.00 57.07 56.56 3hty s TYR 111 Cb -0.14 -1.37 -0.03 0.00 -0.40 0.00 0.00 41.96 40.02 3hty s TYR 111 CO -0.07 0.41 -0.14 0.00 -1.57 0.00 0.00 175.55 174.18 3hty s ALA 112 N -1.23 2.70 -0.14 3.71 0.00 0.08 -1.54 121.76 125.34 3hty s ALA 112 Ca 0.20 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.83 3hty s ALA 112 Cb -0.11 -0.93 -0.01 0.00 0.00 0.00 0.00 23.12 22.08 3hty s ALA 112 CO 0.12 0.57 0.99 0.21 0.00 0.00 0.00 175.76 177.65 3hty s LYS 113 N -1.04 4.37 0.12 0.00 2.47 0.13 -1.33 119.74 124.46 3hty s LYS 113 Ca 0.13 1.34 -0.31 0.00 -1.56 0.00 0.00 55.97 55.57 3hty s LYS 113 Cb -0.11 -3.57 -0.07 0.00 -1.46 0.00 0.00 37.83 32.62 3hty s LYS 113 CO 0.03 -0.38 1.30 -0.65 0.16 0.00 0.00 175.35 175.81 3hty s GLN 114 N 2.29 4.38 0.00 4.03 -0.21 -0.51 -4.96 119.66 124.68 3hty s GLN 114 Ca 0.46 1.96 0.30 0.00 0.02 0.00 0.00 55.36 58.10 3hty s GLN 114 Cb -0.17 -3.26 1.47 0.00 1.00 0.00 0.00 33.01 32.04 3hty s GLN 114 CO 0.15 -0.31 1.98 0.36 -2.12 0.00 0.00 175.29 175.34