#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 6.44 0.08 0.00 0.15 -1.26 -4.88 113.70 114.23 3hty s SER 24 Ca 0.00 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.38 3hty s SER 24 Cb 0.00 -2.04 0.90 0.00 -1.71 0.00 0.00 66.02 63.17 3hty s SER 24 CO 0.00 0.16 1.74 0.00 1.20 0.00 0.00 173.24 176.34 3hty n ILE 25 N 0.51 0.22 -2.14 6.45 3.06 -1.26 -4.82 119.36 121.38 3hty n ILE 25 Ca -0.06 -0.12 -0.42 0.00 -2.50 0.00 0.00 62.75 59.65 3hty n ILE 25 Cb 0.52 -0.38 -0.03 0.00 0.54 0.00 0.00 39.64 40.29 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 -3.05 3.34 -5.00 9.51 1.01 -1.26 -4.83 120.40 120.12 3hty s VAL 26 Ca 0.12 0.90 0.00 0.00 0.00 0.00 0.00 61.98 62.99 3hty s VAL 26 Cb 0.16 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3hty s VAL 26 CO 0.60 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.35 3hty n GLY 27 N 3.61 -0.21 3.58 4.51 0.00 -1.26 -5.04 105.19 110.37 3hty n GLY 27 Ca 0.13 -1.61 -0.34 0.00 0.00 0.00 0.00 46.02 44.19 3hty n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hty s SER 28 N -3.32 5.36 -0.20 1.61 0.01 -1.26 -4.48 113.70 111.41 3hty s SER 28 Ca 0.00 -0.00 -0.02 0.00 1.31 0.00 0.00 55.95 57.24 3hty s SER 28 Cb 0.00 -1.91 0.00 0.00 0.21 0.00 0.00 66.02 64.32 3hty s SER 28 CO 0.00 0.15 -0.11 0.26 0.41 0.00 0.00 173.24 173.95 3hty s TRP 29 N 0.48 2.88 0.22 2.43 0.52 -0.04 -0.59 118.94 124.84 3hty s TRP 29 Ca 0.01 -1.19 0.02 0.00 0.02 0.00 0.00 56.10 54.97 3hty s TRP 29 Cb -0.13 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.13 3hty s TRP 29 CO 0.01 -0.62 0.03 0.14 0.02 0.00 0.00 176.95 176.53 3hty s VAL 30 N 1.32 0.73 0.15 4.03 -7.23 0.04 -0.71 120.40 118.73 3hty s VAL 30 Ca 0.04 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 3hty s VAL 30 Cb -0.14 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 3hty s VAL 30 CO -0.06 -0.27 0.25 -1.83 -0.31 0.00 0.00 175.10 172.88 3hty s GLU 31 N -3.94 1.09 0.58 4.82 -1.05 0.28 -0.75 118.70 119.72 3hty s GLU 31 Ca 0.30 -1.16 -0.21 0.00 -0.15 0.00 0.00 54.97 53.75 3hty s GLU 31 Cb 0.07 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 3hty s GLU 31 CO 0.09 -0.39 1.35 -2.14 0.95 0.00 0.00 175.26 175.12 3hty s PRO 32 N -3.96 2.94 -0.23 -4.83 0.02 -1.26 -0.61 135.00 127.07 3hty s PRO 32 Ca 0.16 2.21 -0.28 0.00 0.02 0.00 0.00 61.00 63.11 3hty s PRO 32 Cb 0.04 -2.14 0.01 0.00 0.02 0.00 0.00 34.50 32.43 3hty s PRO 32 CO -0.02 -1.34 0.99 0.08 -0.33 0.00 0.00 177.00 176.38 3hty s VAL 33 N -1.31 4.72 0.23 3.83 1.01 -0.39 -4.57 120.40 123.91 3hty s VAL 33 Ca 0.75 1.92 -0.31 0.00 0.00 0.00 0.00 61.98 64.34 3hty s VAL 33 Cb -0.40 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.58 3hty s VAL 33 CO 0.46 -0.15 1.44 -2.65 0.00 0.00 0.00 175.10 174.20 3hty n PRO 34 N 6.20 2.08 0.00 2.72 -0.02 -1.26 -1.89 135.00 142.82 3hty n PRO 34 Ca 0.10 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 3hty n PRO 34 Cb 0.46 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 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 2.29 2.61 3.89 -1.23 0.00 -1.26 -5.02 105.19 106.48 3hty n GLY 35 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 4.26 0.23 0.99 1.43 -0.79 -5.03 118.68 119.77 3hty s LEU 36 Ca 0.00 0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 3hty s LEU 36 Cb 0.00 -2.86 0.24 0.00 0.03 0.00 0.00 46.19 43.60 3hty s LEU 36 CO 0.00 0.18 1.63 -0.33 0.23 0.00 0.00 176.35 178.06 3hty h GLU 37 N 3.16 0.64 0.00 1.70 4.39 -1.95 -3.41 114.58 119.10 3hty h GLU 37 Ca -0.45 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 58.97 3hty h GLU 37 Cb 1.16 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.79 3hty h GLU 37 CO 0.74 0.86 0.00 0.41 -1.16 0.00 0.00 179.01 179.86 3hty n GLY 38 N -0.18 1.00 3.83 -3.84 0.00 -1.26 -5.12 105.19 99.62 3hty n GLY 38 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 3.99 0.19 1.61 1.11 -1.26 -4.97 119.66 120.32 3hty s GLN 39 Ca 0.00 1.07 0.09 0.00 0.01 0.00 0.00 55.36 56.52 3hty s GLN 39 Cb 0.00 -2.14 -0.04 0.00 -1.01 0.00 0.00 33.01 29.82 3hty s GLN 39 CO 0.00 -0.24 -0.17 0.14 0.01 0.00 0.00 175.29 175.03 3hty s VAL 40 N -2.40 1.87 0.05 1.09 -7.23 -1.26 -1.27 120.40 111.25 3hty s VAL 40 Ca 0.61 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3hty s VAL 40 Cb -0.11 -1.95 -0.03 0.00 0.56 0.00 0.00 36.38 34.86 3hty s VAL 40 CO 0.24 -0.40 -0.05 0.00 -0.31 0.00 0.00 175.10 174.59 3hty s GLN 41 N -3.09 0.57 0.00 4.82 -2.07 0.22 -4.64 119.66 115.46 3hty s GLN 41 Ca 0.19 -0.99 0.00 0.00 -1.82 0.00 0.00 55.36 52.74 3hty s GLN 41 Cb -0.04 -0.02 0.00 0.00 -1.09 0.00 0.00 33.01 31.86 3hty s GLN 41 CO 0.07 -0.04 0.00 0.41 -1.32 0.00 0.00 175.29 174.42 3hty n GLY 42 N 0.74 -0.62 2.88 2.60 0.00 -0.63 -0.56 105.19 109.60 3hty n GLY 42 Ca -0.18 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 3hty n GLY 42 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hty s ILE 43 N -4.00 0.58 0.53 -0.61 1.01 0.11 -0.10 121.20 118.72 3hty s ILE 43 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 60.65 60.60 3hty s ILE 43 Cb 0.00 -0.62 0.09 0.00 0.01 0.00 0.00 42.46 41.94 3hty s ILE 43 CO 0.00 0.25 0.74 1.17 0.00 0.00 0.00 174.94 177.10 3hty n LYS 44 N 4.31 0.49 -3.57 2.79 4.81 0.03 -0.86 118.16 126.15 3hty n LYS 44 Ca -0.20 -2.61 -0.07 0.00 -0.87 0.00 0.00 58.31 54.56 3hty n LYS 44 Cb 0.51 -0.30 -0.03 0.00 0.02 0.00 0.00 35.03 35.22 3hty n LYS 44 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3hty s GLU 46 N -4.39 0.51 0.27 1.64 2.02 0.07 -1.22 118.70 117.59 3hty s GLU 46 Ca 0.54 -0.08 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 3hty s GLU 46 Cb -0.04 0.24 -0.14 0.00 0.10 0.00 0.00 34.13 34.28 3hty s GLU 46 CO 0.35 -0.20 1.05 0.39 0.02 0.00 0.00 175.26 176.87 3hty n GLU 47 N 0.17 1.35 0.00 1.61 -0.58 -1.26 -1.90 120.64 120.03 3hty n GLU 47 Ca -0.05 0.47 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 3hty n GLU 47 Cb 0.59 -1.88 0.00 0.00 -0.57 0.00 0.00 31.44 29.58 3hty n GLU 47 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hty n GLY 48 N 1.41 1.03 0.00 0.62 0.00 -1.26 -4.42 105.19 102.57 3hty n GLY 48 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.32 3.72 -0.02 0.00 -0.80 -5.04 105.19 101.37 3hty n GLY 49 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.22 0.11 1.61 1.01 -1.24 -0.90 120.40 123.22 3hty s VAL 50 Ca 0.00 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.76 3hty s VAL 50 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3hty s VAL 50 CO 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 175.10 175.03 3hty s ALA 51 N 0.67 2.13 0.05 5.51 0.00 -0.82 -0.75 121.76 128.55 3hty s ALA 51 Ca 0.54 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 51.08 3hty s ALA 51 Cb -0.27 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.51 3hty s ALA 51 CO 0.30 0.47 0.13 -1.54 0.00 0.00 0.00 175.76 175.13 3hty s SER 52 N -1.90 0.15 0.36 0.00 1.04 -0.36 -3.18 113.70 109.81 3hty s SER 52 Ca 0.11 -0.54 -0.25 0.00 0.48 0.00 0.00 55.95 55.74 3hty s SER 52 Cb -0.10 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 3hty s SER 52 CO 0.05 -0.58 0.98 -0.44 0.98 0.00 0.00 173.24 174.24 3hty s SER 53 N -2.33 7.11 -0.37 7.02 0.01 -1.26 -0.79 113.70 123.09 3hty s SER 53 Ca -0.02 1.90 -0.08 0.00 1.31 0.00 0.00 55.95 59.06 3hty s SER 53 Cb 0.01 -2.58 0.05 0.00 0.21 0.00 0.00 66.02 63.71 3hty s SER 53 CO -0.06 -0.24 0.17 -0.69 0.41 0.00 0.00 173.24 172.83 3hty s VAL 54 N -1.67 4.06 -0.46 3.43 1.01 0.85 -4.80 120.40 122.81 3hty s VAL 54 Ca 0.54 -1.16 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 3hty s VAL 54 Cb -0.19 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.85 3hty s VAL 54 CO 0.24 -0.29 0.60 0.59 0.00 0.00 0.00 175.10 176.25 3hty n ASN 55 N 4.87 -7.80 0.00 3.32 3.02 -1.26 -1.60 115.26 115.81 3hty n ASN 55 Ca -0.11 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3hty n ASN 55 Cb 0.44 -5.29 0.00 0.00 -0.61 0.00 0.00 39.78 34.33 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 -0.52 0.47 -0.02 5.41 0.00 -1.26 -4.89 120.51 119.70 3hty n ALA 57 Ca 0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.49 3hty n ALA 57 Cb 0.46 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.06 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 1.27 -3.63 0.00 2.02 -1.95 -3.40 112.91 107.21 3hty h THR 58 Ca 0.00 -1.34 -0.63 0.00 0.77 0.00 0.00 66.41 65.21 3hty h THR 58 Cb 0.00 1.34 -0.17 0.00 -1.74 0.00 0.00 68.15 67.58 3hty h THR 58 CO 0.00 0.43 -0.55 -0.76 0.37 0.00 0.00 175.52 175.01 3hty s LEU 59 N -8.71 3.88 -0.35 2.58 1.02 -1.26 -1.06 118.68 114.78 3hty s LEU 59 Ca -0.08 -0.00 0.04 0.00 0.02 0.00 0.00 54.13 54.11 3hty s LEU 59 Cb 0.13 -2.04 0.10 0.00 0.02 0.00 0.00 46.19 44.40 3hty s LEU 59 CO 0.81 0.03 0.06 -0.69 0.02 0.00 0.00 176.35 176.58 3hty s VAL 60 N 1.26 2.18 0.38 -1.59 1.01 -0.00 -4.77 120.40 118.86 3hty s VAL 60 Ca 0.06 -2.32 -0.25 0.00 0.00 0.00 0.00 61.98 59.47 3hty s VAL 60 Cb -0.14 -2.61 -0.09 0.00 0.00 0.00 0.00 36.38 33.53 3hty s VAL 60 CO 0.05 -0.62 1.04 -0.31 0.00 0.00 0.00 175.10 175.27 3hty s TYR 61 N 0.90 3.36 0.00 5.22 2.02 -1.26 -1.14 117.35 126.44 3hty s TYR 61 Ca 0.11 1.67 0.00 0.00 -0.37 0.00 0.00 57.07 58.48 3hty s TYR 61 Cb -0.19 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.25 3hty s TYR 61 CO -0.09 -0.50 0.00 0.39 -1.57 0.00 0.00 175.55 173.78 3hty n GLU 62 N 0.15 0.99 -3.63 -0.62 1.02 0.07 -3.99 120.64 114.63 3hty n GLU 62 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.06 3hty n GLU 62 Cb 0.49 -0.86 -0.05 0.00 -0.02 0.00 0.00 31.44 31.00 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 -3.29 -0.28 0.02 1.62 1.04 -1.05 -1.95 113.70 109.81 3hty s SER 63 Ca 0.00 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.26 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 -0.79 -0.01 -1.66 0.98 0.00 0.00 173.24 171.76 3hty s TRP 64 N -3.28 0.23 -0.06 5.02 1.48 -0.07 -1.46 118.94 120.79 3hty s TRP 64 Ca -0.00 -0.47 -0.04 0.00 -1.06 0.00 0.00 56.10 54.52 3hty s TRP 64 Cb 0.01 -0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.17 3hty s TRP 64 CO -0.08 -0.20 0.14 0.15 -4.06 0.00 0.00 176.95 172.90 3hty s LYS 65 N -1.42 0.15 -0.37 3.25 1.02 -0.25 -4.53 119.74 117.60 3hty s LYS 65 Ca -0.16 0.24 -0.07 0.00 0.02 0.00 0.00 55.97 56.01 3hty s LYS 65 Cb -0.10 0.02 0.06 0.00 -0.52 0.00 0.00 37.83 37.30 3hty s LYS 65 CO -0.01 -0.05 0.16 -1.14 -0.92 0.00 0.00 175.35 173.40 3hty s GLN 66 N 0.32 2.51 -0.42 1.68 0.74 -1.26 -0.11 119.66 123.12 3hty s GLN 66 Ca -0.02 -1.37 -0.07 0.00 0.05 0.00 0.00 55.36 53.95 3hty s GLN 66 Cb -0.03 -3.57 0.10 0.00 1.10 0.00 0.00 33.01 30.61 3hty s GLN 66 CO -0.01 -0.82 0.25 -1.21 -0.55 0.00 0.00 175.29 172.95 3hty s GLU 67 N 1.36 2.39 7.50 1.67 2.02 -0.10 -4.96 118.70 128.58 3hty s GLU 67 Ca 0.01 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.36 3hty s GLU 67 Cb -0.21 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.29 3hty s GLU 67 CO 0.01 -1.04 0.00 0.41 0.02 0.00 0.00 175.26 174.67 3hty n GLY 68 N 4.81 2.68 1.57 -1.39 0.00 -1.26 -1.60 105.19 109.99 3hty n GLY 68 Ca -0.07 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.76 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 2.51 -4.40 2.61 -2.24 -1.26 -4.95 114.28 106.55 3hty n THR 69 Ca 0.00 -1.51 -0.33 0.00 -2.27 0.00 0.00 64.05 59.94 3hty n THR 69 Cb 0.00 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 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 -2.65 2.77 -0.16 -0.78 1.02 -0.63 -0.10 119.74 119.21 3hty s LYS 70 Ca 0.50 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.90 3hty s LYS 70 Cb 0.38 -2.65 -0.01 0.00 -0.52 0.00 0.00 37.83 35.04 3hty s LYS 70 CO 0.15 0.64 -0.12 -1.17 -0.92 0.00 0.00 175.35 173.93 3hty s LEU 71 N -1.26 2.67 -0.26 3.17 2.96 -1.26 -0.92 118.68 123.77 3hty s LEU 71 Ca 0.17 -0.39 -0.03 0.00 -0.22 0.00 0.00 54.13 53.65 3hty s LEU 71 Cb -0.11 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.98 3hty s LEU 71 CO 0.07 0.09 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.54 3hty s ILE 72 N 0.77 3.23 -0.15 6.68 1.09 0.84 -4.23 121.20 129.43 3hty s ILE 72 Ca -0.05 -0.92 -0.02 0.00 -1.10 0.00 0.00 60.65 58.56 3hty s ILE 72 Cb -0.15 -2.65 -0.02 0.00 -1.06 0.00 0.00 42.46 38.58 3hty s ILE 72 CO 0.01 0.16 -0.08 -0.76 -0.10 0.00 0.00 174.94 174.17 3hty s LEU 73 N 1.38 2.97 0.05 2.97 1.43 0.21 -1.09 118.68 126.61 3hty s LEU 73 Ca 0.01 -0.24 0.06 0.00 -1.03 0.00 0.00 54.13 52.93 3hty s LEU 73 Cb -0.17 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 3hty s LEU 73 CO -0.02 0.16 -0.15 0.42 0.23 0.00 0.00 176.35 176.98 3hty s THR 74 N 0.42 3.02 0.00 5.49 -4.23 -0.54 -0.01 115.64 119.80 3hty s THR 74 Ca -0.07 -1.14 0.00 0.00 -1.18 0.00 0.00 61.69 59.30 3hty s THR 74 Cb -0.15 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.38 3hty s THR 74 CO 0.04 0.31 0.00 0.61 -0.54 0.00 0.00 174.62 175.04 3hty n GLY 75 N 1.40 1.31 3.03 3.99 0.00 -0.62 -0.75 105.19 113.55 3hty n GLY 75 Ca -0.16 -0.80 -0.08 0.00 0.00 0.00 0.00 46.02 44.98 3hty n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hty s LYS 76 N -0.78 0.43 0.07 1.61 -2.85 -0.29 -0.16 119.74 117.77 3hty s LYS 76 Ca 0.00 -0.86 0.06 0.00 -1.00 0.00 0.00 55.97 54.17 3hty s LYS 76 Cb 0.00 0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 3hty s LYS 76 CO 0.00 -0.07 -0.08 -1.54 0.10 0.00 0.00 175.35 173.76 3hty s SER 77 N -2.04 4.50 -0.03 0.03 1.04 0.17 -0.82 113.70 116.55 3hty s SER 77 Ca -0.07 -0.30 0.08 0.00 0.48 0.00 0.00 55.95 56.14 3hty s SER 77 Cb -0.03 -0.93 -0.02 0.00 0.10 0.00 0.00 66.02 65.14 3hty s SER 77 CO -0.05 0.21 -0.25 -0.63 0.98 0.00 0.00 173.24 173.50 3hty s ILE 78 N -1.16 2.12 0.00 -1.02 -1.09 -0.22 -1.16 121.20 118.67 3hty s ILE 78 Ca 0.21 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.55 3hty s ILE 78 Cb -0.11 -1.74 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 3hty s ILE 78 CO 0.12 0.58 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 3hty n GLY 79 N 2.48 1.64 2.65 6.18 0.00 -0.48 -4.81 105.19 112.85 3hty n GLY 79 Ca -0.16 -0.47 -0.21 0.00 0.00 0.00 0.00 46.02 45.17 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 -5.94 -1.64 1.61 3.02 -1.26 -1.06 115.26 109.98 3hty n ASN 80 Ca 0.00 -0.13 -0.17 0.00 -0.03 0.00 0.00 54.58 54.24 3hty n ASN 80 Cb 0.00 -4.87 -0.04 0.00 -0.61 0.00 0.00 39.78 34.26 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 -1.24 0.67 3.19 7.41 0.00 -1.26 -4.99 105.19 108.97 3hty n GLY 81 Ca -0.19 -0.18 -0.11 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 -4.16 1.11 -0.02 1.61 -0.21 -0.23 -5.17 119.66 112.59 3hty s GLN 82 Ca 0.00 -1.56 0.04 0.00 0.02 0.00 0.00 55.36 53.86 3hty s GLN 82 Cb 0.00 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.26 3hty s GLN 82 CO 0.00 -0.35 -0.15 0.99 -2.12 0.00 0.00 175.29 173.67 3hty s THR 83 N -4.12 1.17 -0.14 -0.19 2.01 -1.26 -1.38 115.64 111.72 3hty s THR 83 Ca 0.34 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.72 3hty s THR 83 Cb 0.07 -0.98 0.03 0.00 0.01 0.00 0.00 72.50 71.63 3hty s THR 83 CO 0.09 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.61 3hty s ILE 84 N -0.26 1.36 0.38 1.82 1.01 -0.30 -4.97 121.20 120.24 3hty s ILE 84 Ca 0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 3hty s ILE 84 Cb -0.07 -1.33 -0.10 0.00 0.01 0.00 0.00 42.46 40.97 3hty s ILE 84 CO -0.00 0.39 0.96 -1.61 0.00 0.00 0.00 174.94 174.68 3hty s GLU 85 N 1.57 4.35 0.08 2.79 0.41 -1.26 -0.66 118.70 125.98 3hty s GLU 85 Ca 0.04 1.26 -0.04 0.00 -0.41 0.00 0.00 54.97 55.83 3hty s GLU 85 Cb -0.13 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.72 3hty s GLU 85 CO -0.10 0.07 0.07 -0.59 -0.49 0.00 0.00 175.26 174.22 3hty s PHE 86 N -1.88 0.47 -0.06 1.61 -0.12 0.77 -4.94 117.98 113.83 3hty s PHE 86 Ca 0.57 -0.94 -0.02 0.00 -0.05 0.00 0.00 56.93 56.48 3hty s PHE 86 Cb -0.15 -0.29 0.03 0.00 -0.63 0.00 0.00 43.02 41.99 3hty s PHE 86 CO 0.19 -0.48 0.06 0.08 -0.05 0.00 0.00 175.22 175.03 3hty s VAL 87 N -3.93 -0.08 -0.15 -2.49 1.01 -1.26 -1.59 120.40 111.90 3hty s VAL 87 Ca 0.10 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 3hty s VAL 87 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 36.38 36.21 3hty s VAL 87 CO -0.07 0.12 -0.11 -1.81 0.00 0.00 0.00 175.10 173.22 3hty s ASP 88 N 2.16 4.03 0.22 3.32 1.01 0.99 -4.97 116.67 123.42 3hty s ASP 88 Ca 0.05 -0.36 0.07 0.00 0.71 0.00 0.00 52.55 53.01 3hty s ASP 88 Cb -0.13 -1.63 -0.04 0.00 1.01 0.00 0.00 42.92 42.13 3hty s ASP 88 CO -0.04 0.11 0.14 -0.89 0.21 0.00 0.00 175.17 174.70 3hty s THR 89 N 0.68 4.26 -0.05 -1.27 2.01 -1.26 -0.61 115.64 119.39 3hty s THR 89 Ca -0.06 -1.39 0.05 0.00 0.31 0.00 0.00 61.69 60.60 3hty s THR 89 Cb -0.15 -3.25 -0.00 0.00 0.01 0.00 0.00 72.50 69.10 3hty s THR 89 CO 0.02 -0.27 -0.19 -1.81 -0.69 0.00 0.00 174.62 171.69 3hty s ASP 91 N -3.54 2.36 -0.32 3.53 1.01 0.02 -4.89 116.67 114.83 3hty s ASP 91 Ca 0.32 -0.39 -0.20 0.00 0.71 0.00 0.00 52.55 52.98 3hty s ASP 91 Cb -0.08 -0.66 -0.00 0.00 1.01 0.00 0.00 42.92 43.18 3hty s ASP 91 CO 0.23 0.17 0.63 -0.63 0.21 0.00 0.00 175.17 175.79 3hty s ILE 92 N 0.00 4.92 -0.10 0.77 1.01 0.85 -0.83 121.20 127.82 3hty s ILE 92 Ca -0.04 0.77 0.14 0.00 0.00 0.00 0.00 60.65 61.52 3hty s ILE 92 Cb -0.12 -4.03 -0.24 0.00 0.01 0.00 0.00 42.46 38.08 3hty s ILE 92 CO 0.03 -0.20 0.45 0.29 0.00 0.00 0.00 174.94 175.51 3hty n LYS 93 N 5.94 0.65 -3.73 2.79 4.76 0.12 -4.92 118.16 123.78 3hty n LYS 93 Ca -0.01 0.19 -0.12 0.00 -2.87 0.00 0.00 58.31 55.50 3hty n LYS 93 Cb 0.49 -1.70 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.56 0.42 -0.22 1.97 3.52 -1.08 -4.96 118.95 116.04 3hty s ARG 94 Ca -0.07 0.59 -0.03 0.00 -0.13 0.00 0.00 55.73 56.09 3hty s ARG 94 Cb 0.07 0.14 0.11 0.00 -1.56 0.00 0.00 34.95 33.70 3hty s ARG 94 CO 0.82 -0.09 0.26 -1.17 -0.81 0.00 0.00 175.30 174.31 3hty s LEU 95 N 0.56 -0.20 0.41 -0.88 2.96 -1.25 -0.69 118.68 119.58 3hty s LEU 95 Ca -0.03 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.70 3hty s LEU 95 Cb -0.05 0.51 -0.02 0.00 0.50 0.00 0.00 46.19 47.14 3hty s LEU 95 CO -0.03 -0.33 0.17 0.42 -1.32 0.00 0.00 176.35 175.25 3hty s THR 96 N 2.37 0.43 0.56 3.68 -4.23 0.07 -4.64 115.64 113.88 3hty s THR 96 Ca 0.08 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.84 3hty s THR 96 Cb -0.15 -2.31 0.34 0.00 1.34 0.00 0.00 72.50 71.72 3hty s THR 96 CO -0.15 0.00 2.14 0.00 -0.54 0.00 0.00 174.62 176.06 3hty h ALA 97 N 1.77 1.88 0.00 3.99 0.00 -1.94 -3.20 119.26 121.77 3hty h ALA 97 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3hty h ALA 97 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3hty h ALA 97 CO 0.51 -0.19 -0.19 -0.25 0.00 0.00 0.00 179.25 179.13 3hty n ASP 98 N -4.08 0.43 -3.92 0.00 8.00 -1.26 -4.72 116.55 110.99 3hty n ASP 98 Ca 0.00 -0.52 -0.11 0.00 0.71 0.00 0.00 54.79 54.88 3hty n ASP 98 Cb 0.24 1.01 -0.13 0.00 -0.02 0.00 0.00 41.12 42.22 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 -1.31 0.14 -0.09 -2.24 0.01 -1.21 -1.33 113.70 107.67 3hty s SER 99 Ca 0.01 -0.23 -0.00 0.00 1.31 0.00 0.00 55.95 57.03 3hty s SER 99 Cb 0.02 0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.32 3hty s SER 99 CO 0.10 -0.13 -0.05 -0.22 0.41 0.00 0.00 173.24 173.35 3hty s LEU 100 N -0.67 1.00 -0.12 2.44 2.96 -0.93 -0.75 118.68 122.61 3hty s LEU 100 Ca -0.07 -0.20 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 3hty s LEU 100 Cb -0.05 -0.64 0.01 0.00 0.50 0.00 0.00 46.19 46.01 3hty s LEU 100 CO -0.00 -0.13 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.98 3hty s VAL 101 N 1.65 2.01 0.11 1.68 1.01 0.13 -0.81 120.40 126.18 3hty s VAL 101 Ca 0.02 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.13 3hty s VAL 101 Cb -0.13 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3hty s VAL 101 CO -0.05 0.55 -0.27 -0.76 0.00 0.00 0.00 175.10 174.57 3hty s LEU 102 N 0.61 2.29 -0.02 3.92 1.43 -0.23 0.14 118.68 126.83 3hty s LEU 102 Ca -0.12 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.27 3hty s LEU 102 Cb -0.17 -1.24 0.02 0.00 0.03 0.00 0.00 46.19 44.83 3hty s LEU 102 CO 0.03 0.20 -0.01 -0.62 0.23 0.00 0.00 176.35 176.18 3hty s ASP 103 N -1.87 0.34 -0.18 2.29 -1.08 -0.01 -1.13 116.67 115.02 3hty s ASP 103 Ca 0.14 -0.03 -0.00 0.00 -0.52 0.00 0.00 52.55 52.14 3hty s ASP 103 Cb -0.10 -0.14 0.05 0.00 -1.46 0.00 0.00 42.92 41.26 3hty s ASP 103 CO 0.05 -0.06 -0.05 0.21 0.52 0.00 0.00 175.17 175.84 3hty s ASN 104 N 0.65 3.06 -1.50 -0.34 3.84 -1.26 -0.80 114.94 118.60 3hty s ASN 104 Ca -0.06 -0.79 -0.04 0.00 0.21 0.00 0.00 52.86 52.18 3hty s ASN 104 Cb -0.09 -0.96 0.04 0.00 -0.55 0.00 0.00 41.25 39.69 3hty s ASN 104 CO -0.01 -0.20 0.11 0.00 -2.79 0.00 0.00 177.10 174.21 3hty n GLN 105 N 4.84 -0.90 -0.34 0.43 3.00 -1.26 -4.74 117.38 118.41 3hty n GLN 105 Ca -0.12 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 3hty n GLN 105 Cb 0.47 -3.53 0.00 0.00 0.00 0.00 0.00 30.24 27.18 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hty n GLY 106 N -2.19 0.68 0.00 1.08 0.00 -1.26 -5.27 105.19 98.23 3hty n GLY 106 Ca -0.23 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3hty n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hty n GLU 108 N -0.26 0.00 -3.83 1.61 1.02 -1.26 -5.06 120.64 112.85 3hty n GLU 108 Ca 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.02 3hty n GLU 108 Cb 0.11 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 31.41 3hty n GLU 108 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3hty s ILE 109 N -2.00 0.00 -0.10 -3.67 2.07 -0.29 -4.99 121.20 112.22 3hty s ILE 109 Ca 0.00 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 59.22 3hty s ILE 109 Cb 0.00 -0.19 -0.02 0.00 0.13 0.00 0.00 42.46 42.39 3hty s ILE 109 CO 0.00 -0.02 -0.15 -0.60 -1.91 0.00 0.00 174.94 172.26 3hty s ARG 110 N -0.01 3.08 0.22 3.50 3.52 -1.26 -1.07 118.95 126.92 3hty s ARG 110 Ca -0.01 -0.72 0.11 0.00 -0.13 0.00 0.00 55.73 54.98 3hty s ARG 110 Cb -0.01 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.82 3hty s ARG 110 CO 0.00 0.33 -0.18 0.71 -0.81 0.00 0.00 175.30 175.35 3hty s TYR 111 N 0.04 2.40 0.01 5.12 2.02 0.01 -4.86 117.35 122.09 3hty s TYR 111 Ca -0.05 -0.31 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 3hty s TYR 111 Cb -0.15 -1.13 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 3hty s TYR 111 CO 0.05 0.57 -0.10 0.00 -1.57 0.00 0.00 175.55 174.50 3hty s ALA 112 N -1.97 2.89 0.07 3.71 0.00 0.07 -2.19 121.76 124.34 3hty s ALA 112 Ca 0.25 -1.06 -0.31 0.00 0.00 0.00 0.00 51.96 50.85 3hty s ALA 112 Cb -0.07 -1.03 -0.07 0.00 0.00 0.00 0.00 23.12 21.95 3hty s ALA 112 CO 0.13 0.60 1.43 0.21 0.00 0.00 0.00 175.76 178.13 3hty s LYS 113 N -1.37 4.29 0.00 0.00 2.47 -0.44 -0.78 119.74 123.91 3hty s LYS 113 Ca 0.16 2.06 0.32 0.00 -1.56 0.00 0.00 55.97 56.95 3hty s LYS 113 Cb -0.11 -3.41 1.82 0.00 -1.46 0.00 0.00 37.83 34.67 3hty s LYS 113 CO 0.06 -0.52 2.18 0.94 0.16 0.00 0.00 175.35 178.17