#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 6.56 0.02 0.00 0.15 -1.26 -4.91 113.70 114.25 3hty s SER 24 Ca 0.00 0.71 0.28 0.00 0.70 0.00 0.00 55.95 57.64 3hty s SER 24 Cb 0.00 -2.14 1.05 0.00 -1.71 0.00 0.00 66.02 63.22 3hty s SER 24 CO 0.00 0.05 1.81 0.00 1.20 0.00 0.00 173.24 176.30 3hty n ILE 25 N 0.22 0.05 -1.98 6.45 3.06 -1.26 -4.83 119.36 121.07 3hty n ILE 25 Ca -0.03 -0.03 -0.42 0.00 -2.50 0.00 0.00 62.75 59.77 3hty n ILE 25 Cb 0.52 -0.35 -0.03 0.00 0.54 0.00 0.00 39.64 40.32 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 -3.01 2.94 -5.00 9.51 1.01 -1.26 -4.81 120.40 119.77 3hty s VAL 26 Ca 0.13 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3hty s VAL 26 Cb 0.18 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3hty s VAL 26 CO 0.57 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3hty n GLY 27 N 3.81 -0.14 3.64 4.51 0.00 -1.26 -5.04 105.19 110.71 3hty n GLY 27 Ca 0.14 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.83 5.94 -0.20 1.61 0.01 -1.26 -4.48 113.70 114.50 3hty s SER 28 Ca 0.00 0.08 0.01 0.00 1.31 0.00 0.00 55.95 57.35 3hty s SER 28 Cb 0.00 -2.06 0.03 0.00 0.21 0.00 0.00 66.02 64.19 3hty s SER 28 CO 0.00 0.08 -0.17 0.26 0.41 0.00 0.00 173.24 173.82 3hty s TRP 29 N 0.94 2.89 0.18 2.43 0.52 -0.40 -0.04 118.94 125.45 3hty s TRP 29 Ca 0.07 -1.74 0.02 0.00 0.02 0.00 0.00 56.10 54.46 3hty s TRP 29 Cb -0.13 -1.93 -0.05 0.00 -1.15 0.00 0.00 33.47 30.21 3hty s TRP 29 CO 0.03 -0.81 0.01 0.14 0.02 0.00 0.00 176.95 176.34 3hty s VAL 30 N 1.26 0.66 0.11 4.03 -7.23 -0.16 -0.90 120.40 118.17 3hty s VAL 30 Ca 0.02 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 3hty s VAL 30 Cb -0.14 -2.14 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3hty s VAL 30 CO -0.11 -0.45 -0.05 -1.83 -0.31 0.00 0.00 175.10 172.35 3hty s GLU 31 N -3.92 0.85 0.61 4.82 -1.05 0.21 -0.92 118.70 119.31 3hty s GLU 31 Ca 0.24 -1.36 -0.19 0.00 -0.15 0.00 0.00 54.97 53.52 3hty s GLU 31 Cb 0.06 -0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.57 3hty s GLU 31 CO 0.04 -0.05 1.24 -2.14 0.95 0.00 0.00 175.26 175.30 3hty s PRO 32 N -3.86 2.82 -0.38 -4.83 0.02 -1.26 -0.73 135.00 126.78 3hty s PRO 32 Ca 0.14 1.92 -0.22 0.00 0.02 0.00 0.00 61.00 62.86 3hty s PRO 32 Cb 0.06 -1.90 0.01 0.00 0.02 0.00 0.00 34.50 32.68 3hty s PRO 32 CO -0.04 -1.35 0.71 0.08 -0.33 0.00 0.00 177.00 176.08 3hty s VAL 33 N -1.51 4.79 0.31 3.83 1.01 -0.60 -4.63 120.40 123.61 3hty s VAL 33 Ca 0.79 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 3hty s VAL 33 Cb -0.33 -4.17 -0.11 0.00 0.00 0.00 0.00 36.38 31.76 3hty s VAL 33 CO 0.36 -0.43 1.59 -0.81 0.00 0.00 0.00 175.10 175.80 3hty n PRO 34 N 6.29 2.73 0.00 2.72 -0.04 -1.26 -1.95 135.00 143.50 3hty n PRO 34 Ca 0.01 0.97 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3hty n PRO 34 Cb 0.48 -2.75 0.00 0.00 -0.04 0.00 0.00 33.50 31.19 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hty n GLY 35 N 1.90 2.95 3.04 0.55 0.00 -1.26 -4.97 105.19 107.39 3hty n GLY 35 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 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 4.84 0.34 0.99 1.43 -0.82 -5.09 118.68 120.38 3hty s LEU 36 Ca 0.00 -2.75 -0.29 0.00 -1.03 0.00 0.00 54.13 50.06 3hty s LEU 36 Cb 0.00 -1.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.36 3hty s LEU 36 CO 0.00 -0.34 1.55 -0.70 0.23 0.00 0.00 176.35 177.09 3hty s GLU 37 N 0.08 4.10 0.00 1.70 2.12 -1.26 -2.25 118.70 123.19 3hty s GLU 37 Ca 0.15 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.08 3hty s GLU 37 Cb -0.22 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3hty s GLU 37 CO -0.03 -0.60 0.00 0.41 -0.54 0.00 0.00 175.26 174.50 3hty n GLY 38 N 1.29 0.76 3.18 -1.50 0.00 -1.26 -5.04 105.19 102.62 3hty n GLY 38 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.37 1.36 0.27 1.61 -0.21 -0.96 -5.09 119.66 116.27 3hty s GLN 39 Ca 0.00 -0.71 0.05 0.00 0.02 0.00 0.00 55.36 54.72 3hty s GLN 39 Cb 0.00 -1.35 -0.06 0.00 1.00 0.00 0.00 33.01 32.60 3hty s GLN 39 CO 0.00 0.36 -0.01 0.14 -2.12 0.00 0.00 175.29 173.67 3hty s VAL 40 N -0.54 1.29 0.01 1.09 -7.23 -1.26 -1.55 120.40 112.21 3hty s VAL 40 Ca 0.06 -2.06 -0.10 0.00 -1.81 0.00 0.00 61.98 58.08 3hty s VAL 40 Cb -0.07 -2.50 0.01 0.00 0.56 0.00 0.00 36.38 34.37 3hty s VAL 40 CO 0.00 -0.23 0.20 0.00 -0.31 0.00 0.00 175.10 174.76 3hty s GLN 41 N -3.82 0.61 0.00 4.82 -2.07 0.09 -4.60 119.66 114.70 3hty s GLN 41 Ca 0.31 -0.44 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 3hty s GLN 41 Cb 0.06 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.24 3hty s GLN 41 CO 0.12 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.33 3hty n GLY 42 N 1.10 -0.61 2.98 2.60 0.00 -0.56 -0.62 105.19 110.08 3hty n GLY 42 Ca -0.21 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.75 0.87 0.30 -0.61 1.01 -0.08 -0.26 121.20 118.68 3hty s ILE 43 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 60.65 60.35 3hty s ILE 43 Cb 0.00 -0.81 0.05 0.00 0.01 0.00 0.00 42.46 41.71 3hty s ILE 43 CO 0.00 0.29 0.39 1.17 0.00 0.00 0.00 174.94 176.78 3hty n LYS 44 N 3.75 0.83 -3.60 2.79 4.81 0.33 -1.27 118.16 125.80 3hty n LYS 44 Ca -0.23 -1.63 -0.04 0.00 -0.87 0.00 0.00 58.31 55.54 3hty n LYS 44 Cb 0.52 -0.08 -0.02 0.00 0.02 0.00 0.00 35.03 35.46 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 -3.33 0.28 0.54 1.64 2.02 0.29 -1.10 118.70 119.04 3hty s GLU 46 Ca 0.29 -0.09 -0.20 0.00 0.02 0.00 0.00 54.97 54.99 3hty s GLU 46 Cb -0.02 0.13 -0.05 0.00 0.10 0.00 0.00 34.13 34.28 3hty s GLU 46 CO 0.19 -0.12 1.19 -2.00 0.02 0.00 0.00 175.26 174.53 3hty s GLU 47 N -2.23 3.32 0.00 1.61 2.56 -1.26 -2.73 118.70 119.97 3hty s GLU 47 Ca 0.09 1.79 0.00 0.00 0.00 0.00 0.00 54.97 56.85 3hty s GLU 47 Cb -0.01 -2.11 0.00 0.00 2.00 0.00 0.00 34.13 34.01 3hty s GLU 47 CO -0.05 -0.91 0.00 0.41 -0.56 0.00 0.00 175.26 174.15 3hty n GLY 48 N 0.41 0.75 3.07 -1.50 0.00 -1.26 -4.36 105.19 102.29 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 -2.21 1.13 3.73 -0.02 0.00 -1.11 -5.02 105.19 101.70 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 -3.70 4.10 0.11 1.61 1.01 -1.25 -1.52 120.40 120.76 3hty s VAL 50 Ca 0.00 1.70 0.09 0.00 0.00 0.00 0.00 61.98 63.77 3hty s VAL 50 Cb 0.00 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 3hty s VAL 50 CO 0.00 0.24 -0.23 0.00 0.00 0.00 0.00 175.10 175.11 3hty s ALA 51 N 0.21 2.00 0.03 5.51 0.00 -0.75 -0.55 121.76 128.20 3hty s ALA 51 Ca 0.51 -1.30 -0.06 0.00 0.00 0.00 0.00 51.96 51.11 3hty s ALA 51 Cb -0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3hty s ALA 51 CO 0.32 0.43 0.10 -1.54 0.00 0.00 0.00 175.76 175.07 3hty s SER 52 N -1.88 0.15 0.28 0.00 1.04 -0.26 -3.01 113.70 110.02 3hty s SER 52 Ca 0.09 -0.47 -0.28 0.00 0.48 0.00 0.00 55.95 55.76 3hty s SER 52 Cb -0.10 0.22 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 3hty s SER 52 CO 0.05 -0.48 0.98 -0.44 0.98 0.00 0.00 173.24 174.32 3hty s SER 53 N -1.99 7.43 -0.32 7.02 0.01 -1.26 -0.51 113.70 124.08 3hty s SER 53 Ca -0.07 1.98 -0.06 0.00 1.31 0.00 0.00 55.95 59.11 3hty s SER 53 Cb -0.02 -2.60 0.03 0.00 0.21 0.00 0.00 66.02 63.63 3hty s SER 53 CO -0.03 -0.01 0.09 -0.69 0.41 0.00 0.00 173.24 173.01 3hty s VAL 54 N -1.34 3.79 -0.40 3.43 1.01 0.64 -4.83 120.40 122.71 3hty s VAL 54 Ca 0.45 -1.00 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3hty s VAL 54 Cb -0.25 -3.08 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3hty s VAL 54 CO 0.31 -0.09 0.47 -3.20 0.00 0.00 0.00 175.10 172.59 3hty n ASN 55 N 4.82 -7.73 0.00 3.32 5.15 -1.26 -1.49 115.26 118.07 3hty n ASN 55 Ca -0.13 0.65 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 3hty n ASN 55 Cb 0.46 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.75 3hty n ASN 55 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hty n ALA 57 N -0.05 1.14 -0.10 5.20 0.00 -1.26 -4.73 120.51 120.72 3hty n ALA 57 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.39 3hty n ALA 57 Cb 0.39 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.83 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 1.28 -3.63 0.00 2.02 -1.97 -3.42 112.91 107.19 3hty h THR 58 Ca 0.00 -1.59 -0.62 0.00 0.77 0.00 0.00 66.41 64.97 3hty h THR 58 Cb 0.00 1.44 -0.14 0.00 -1.74 0.00 0.00 68.15 67.70 3hty h THR 58 CO 0.00 0.53 -0.42 -0.22 0.37 0.00 0.00 175.52 175.78 3hty s LEU 59 N -8.80 4.10 -0.34 2.58 2.96 -1.26 -0.91 118.68 117.01 3hty s LEU 59 Ca -0.10 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.02 3hty s LEU 59 Cb 0.11 -2.22 0.09 0.00 0.50 0.00 0.00 46.19 44.68 3hty s LEU 59 CO 0.88 -0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 175.25 3hty s VAL 60 N 1.34 2.38 0.39 1.68 1.01 0.21 -4.78 120.40 122.63 3hty s VAL 60 Ca 0.10 -2.21 -0.24 0.00 0.00 0.00 0.00 61.98 59.64 3hty s VAL 60 Cb -0.14 -2.69 -0.09 0.00 0.00 0.00 0.00 36.38 33.45 3hty s VAL 60 CO 0.07 -0.52 1.03 -0.31 0.00 0.00 0.00 175.10 175.37 3hty s TYR 61 N 0.96 3.33 0.00 5.22 2.02 -1.26 -0.99 117.35 126.62 3hty s TYR 61 Ca 0.08 1.66 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 3hty s TYR 61 Cb -0.20 -3.09 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 3hty s TYR 61 CO -0.07 -0.49 0.00 0.39 -1.57 0.00 0.00 175.55 173.81 3hty n GLU 62 N -0.00 0.57 -3.89 -0.62 1.02 0.44 -4.00 120.64 114.16 3hty n GLU 62 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 3hty n GLU 62 Cb 0.50 -0.84 -0.05 0.00 -0.02 0.00 0.00 31.44 31.03 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 -3.39 -0.09 0.05 1.62 1.04 -1.04 -1.81 113.70 110.08 3hty s SER 63 Ca 0.00 -0.75 -0.10 0.00 0.48 0.00 0.00 55.95 55.58 3hty s SER 63 Cb 0.00 0.52 0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hty s SER 63 CO 0.00 -1.01 0.22 -1.66 0.98 0.00 0.00 173.24 171.78 3hty s TRP 64 N -3.95 0.03 -0.28 5.02 1.48 -0.58 -1.06 118.94 119.62 3hty s TRP 64 Ca 0.16 -0.29 -0.18 0.00 -1.06 0.00 0.00 56.10 54.73 3hty s TRP 64 Cb 0.01 0.00 0.08 0.00 -1.16 0.00 0.00 33.47 32.40 3hty s TRP 64 CO 0.01 -0.48 0.70 0.21 -4.06 0.00 0.00 176.95 173.33 3hty s LYS 65 N -2.90 0.74 -0.18 3.25 2.20 -0.56 -4.63 119.74 117.66 3hty s LYS 65 Ca -0.02 1.17 -0.11 0.00 -0.36 0.00 0.00 55.97 56.64 3hty s LYS 65 Cb 0.00 0.21 -0.05 0.00 -1.51 0.00 0.00 37.83 36.48 3hty s LYS 65 CO -0.06 -0.14 0.19 -1.14 -0.36 0.00 0.00 175.35 173.85 3hty s GLN 66 N 1.33 4.18 -0.27 4.03 0.74 -1.26 -0.39 119.66 128.03 3hty s GLN 66 Ca -0.08 -0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.24 3hty s GLN 66 Cb -0.05 -3.41 0.08 0.00 1.10 0.00 0.00 33.01 30.73 3hty s GLN 66 CO -0.15 0.30 0.03 -1.21 -0.55 0.00 0.00 175.29 173.71 3hty s GLU 67 N 0.34 1.13 7.70 1.67 2.02 -0.30 -4.99 118.70 126.26 3hty s GLU 67 Ca 0.12 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 54.07 3hty s GLU 67 Cb -0.12 -2.38 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3hty s GLU 67 CO 0.01 -0.78 0.00 0.41 0.02 0.00 0.00 175.26 174.91 3hty n GLY 68 N 4.74 3.15 1.17 -1.39 0.00 -1.26 -0.63 105.19 110.97 3hty n GLY 68 Ca -0.06 -0.19 0.07 0.00 0.00 0.00 0.00 46.02 45.85 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 1.18 -3.84 2.61 -2.24 -1.26 -4.92 114.28 105.81 3hty n THR 69 Ca 0.00 -0.81 -0.34 0.00 -2.27 0.00 0.00 64.05 60.63 3hty n THR 69 Cb 0.00 0.08 -0.05 0.00 -2.10 0.00 0.00 70.33 68.26 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 -1.67 3.50 -0.13 -0.78 -0.14 0.20 -0.35 119.74 120.37 3hty s LYS 70 Ca 0.36 -0.22 0.02 0.00 -1.36 0.00 0.00 55.97 54.78 3hty s LYS 70 Cb 0.23 -3.08 -0.00 0.00 -1.68 0.00 0.00 37.83 33.30 3hty s LYS 70 CO 0.19 0.66 -0.19 -1.17 -0.76 0.00 0.00 175.35 174.07 3hty s LEU 71 N -1.90 2.30 -0.21 3.17 2.96 -1.26 -1.15 118.68 122.58 3hty s LEU 71 Ca 0.28 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 3hty s LEU 71 Cb -0.13 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 3hty s LEU 71 CO 0.18 0.12 0.08 -0.63 -1.32 0.00 0.00 176.35 174.78 3hty s ILE 72 N 0.59 4.75 -0.05 6.68 1.01 0.48 -4.29 121.20 130.37 3hty s ILE 72 Ca -0.11 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.55 3hty s ILE 72 Cb -0.16 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.12 3hty s ILE 72 CO 0.03 0.40 -0.21 -0.76 0.00 0.00 0.00 174.94 174.41 3hty s LEU 73 N 0.85 1.99 0.17 2.97 1.43 0.23 -1.49 118.68 124.83 3hty s LEU 73 Ca 0.04 -0.43 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3hty s LEU 73 Cb -0.13 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 3hty s LEU 73 CO 0.02 0.20 -0.13 0.42 0.23 0.00 0.00 176.35 177.09 3hty s THR 74 N -0.07 1.49 -2.93 5.49 -4.23 -0.22 -0.49 115.64 114.68 3hty s THR 74 Ca -0.04 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.43 3hty s THR 74 Cb -0.13 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.85 3hty s THR 74 CO 0.03 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 3hty n GLY 75 N -0.09 -0.54 3.14 3.99 0.00 -1.09 -0.42 105.19 110.18 3hty n GLY 75 Ca -0.11 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.17 0.69 -0.05 1.61 -2.85 -0.16 -0.55 119.74 117.25 3hty s LYS 76 Ca 0.00 -0.98 0.06 0.00 -1.00 0.00 0.00 55.97 54.05 3hty s LYS 76 Cb 0.00 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 3hty s LYS 76 CO 0.00 -0.18 -0.24 -1.54 0.10 0.00 0.00 175.35 173.49 3hty s SER 77 N -2.67 3.18 -0.23 0.03 1.04 -0.58 -0.62 113.70 113.86 3hty s SER 77 Ca 0.03 -0.47 -0.12 0.00 0.48 0.00 0.00 55.95 55.87 3hty s SER 77 Cb 0.04 -0.78 -0.05 0.00 0.10 0.00 0.00 66.02 65.33 3hty s SER 77 CO -0.09 0.26 0.22 -0.63 0.98 0.00 0.00 173.24 173.99 3hty s ILE 78 N -0.27 5.32 0.16 -1.02 -1.09 -0.09 -1.84 121.20 122.37 3hty s ILE 78 Ca -0.00 0.32 0.01 0.00 -2.23 0.00 0.00 60.65 58.74 3hty s ILE 78 Cb -0.13 -3.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.20 3hty s ILE 78 CO 0.03 0.32 0.07 0.61 -1.23 0.00 0.00 174.94 174.73 3hty n GLY 79 N 4.20 3.43 3.58 6.18 0.00 -1.16 -4.91 105.19 116.51 3hty n GLY 79 Ca -0.13 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.24 3hty n GLY 79 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hty s ASN 80 N -1.91 6.13 -1.56 1.61 2.47 -1.26 -3.68 114.94 116.75 3hty s ASN 80 Ca 0.05 0.27 0.00 0.00 0.42 0.00 0.00 52.86 53.60 3hty s ASN 80 Cb -0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 3hty s ASN 80 CO 0.03 -1.71 0.00 0.61 -3.72 0.00 0.00 177.10 172.32 3hty n GLY 81 N 5.26 0.29 3.06 1.21 0.00 -1.26 -4.97 105.19 108.78 3hty n GLY 81 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.98 3hty n GLY 81 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hty s GLN 82 N -4.41 0.50 0.35 1.61 0.00 -1.24 -5.16 119.66 111.31 3hty s GLN 82 Ca 0.00 -0.02 -0.08 0.00 -0.00 0.00 0.00 55.36 55.27 3hty s GLN 82 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 33.01 33.05 3hty s GLN 82 CO 0.00 -0.77 0.67 0.95 0.00 0.00 0.00 175.29 176.14 3hty s THR 83 N 2.18 4.90 -0.03 3.63 -4.23 -1.26 -3.00 115.64 117.84 3hty s THR 83 Ca 0.16 0.34 0.00 0.00 -1.18 0.00 0.00 61.69 61.01 3hty s THR 83 Cb -0.03 -3.74 0.03 0.00 1.34 0.00 0.00 72.50 70.10 3hty s THR 83 CO -0.14 -0.44 0.01 -0.63 -0.54 0.00 0.00 174.62 172.87 3hty s ILE 84 N -2.25 0.13 0.39 2.99 1.01 -0.77 -4.97 121.20 117.74 3hty s ILE 84 Ca 0.48 0.13 -0.23 0.00 0.00 0.00 0.00 60.65 61.02 3hty s ILE 84 Cb -0.10 -0.25 -0.10 0.00 0.01 0.00 0.00 42.46 42.01 3hty s ILE 84 CO 0.31 0.15 0.98 -1.61 0.00 0.00 0.00 174.94 174.77 3hty s GLU 85 N 1.17 4.29 0.09 2.79 0.41 -1.26 -1.53 118.70 124.65 3hty s GLU 85 Ca -0.08 1.30 0.02 0.00 -0.41 0.00 0.00 54.97 55.80 3hty s GLU 85 Cb -0.13 -2.46 -0.04 0.00 -1.78 0.00 0.00 34.13 29.72 3hty s GLU 85 CO -0.02 0.00 -0.07 -0.59 -0.49 0.00 0.00 175.26 174.09 3hty s PHE 86 N -1.85 0.85 -0.23 1.61 -0.12 0.29 -4.95 117.98 113.58 3hty s PHE 86 Ca 0.58 -0.83 -0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3hty s PHE 86 Cb -0.16 -0.49 0.07 0.00 -0.63 0.00 0.00 43.02 41.81 3hty s PHE 86 CO 0.21 -0.13 0.07 0.08 -0.05 0.00 0.00 175.22 175.40 3hty s VAL 87 N -3.15 0.34 -0.09 -2.49 1.01 -1.26 -2.69 120.40 112.07 3hty s VAL 87 Ca 0.07 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3hty s VAL 87 Cb 0.02 -1.02 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3hty s VAL 87 CO -0.04 -0.40 -0.01 -1.81 0.00 0.00 0.00 175.10 172.85 3hty s ASP 88 N 1.93 5.15 0.30 3.32 1.01 0.36 -4.97 116.67 123.76 3hty s ASP 88 Ca 0.03 0.10 0.11 0.00 0.71 0.00 0.00 52.55 53.51 3hty s ASP 88 Cb -0.17 -1.48 -0.05 0.00 1.01 0.00 0.00 42.92 42.23 3hty s ASP 88 CO -0.16 0.35 -0.15 -0.89 0.21 0.00 0.00 175.17 174.53 3hty s THR 89 N -0.73 2.52 -0.05 -1.27 2.01 -1.26 -0.60 115.64 116.26 3hty s THR 89 Ca 0.11 -2.30 0.06 0.00 0.31 0.00 0.00 61.69 59.87 3hty s THR 89 Cb -0.12 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.93 3hty s THR 89 CO 0.02 -0.35 -0.22 -1.81 -0.69 0.00 0.00 174.62 171.57 3hty s ASP 91 N -3.56 3.32 -0.33 3.53 1.01 -0.28 -4.87 116.67 115.49 3hty s ASP 91 Ca 0.31 -0.42 -0.20 0.00 0.71 0.00 0.00 52.55 52.95 3hty s ASP 91 Cb -0.03 -0.70 -0.00 0.00 1.01 0.00 0.00 42.92 43.19 3hty s ASP 91 CO 0.16 0.29 0.62 -0.63 0.21 0.00 0.00 175.17 175.82 3hty s ILE 92 N -0.42 4.92 -0.11 0.77 1.01 0.53 -0.86 121.20 127.03 3hty s ILE 92 Ca 0.04 0.69 0.16 0.00 0.00 0.00 0.00 60.65 61.54 3hty s ILE 92 Cb -0.12 -4.03 -0.17 0.00 0.01 0.00 0.00 42.46 38.15 3hty s ILE 92 CO 0.01 -0.23 0.73 0.29 0.00 0.00 0.00 174.94 175.74 3hty n LYS 93 N 5.95 0.63 -3.61 2.79 4.01 0.70 -4.93 118.16 123.70 3hty n LYS 93 Ca -0.01 0.20 -0.15 0.00 -0.51 0.00 0.00 58.31 57.84 3hty n LYS 93 Cb 0.49 -1.77 -0.07 0.00 -0.51 0.00 0.00 35.03 33.16 3hty n LYS 93 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 3hty s ARG 94 N -2.86 0.87 -0.26 1.97 3.52 -1.07 -4.95 118.95 116.18 3hty s ARG 94 Ca -0.04 0.54 -0.02 0.00 -0.13 0.00 0.00 55.73 56.08 3hty s ARG 94 Cb 0.09 0.42 0.15 0.00 -1.56 0.00 0.00 34.95 34.04 3hty s ARG 94 CO 0.82 -0.20 0.44 -1.17 -0.81 0.00 0.00 175.30 174.38 3hty s LEU 95 N -0.43 -0.84 0.00 -0.88 2.96 -1.25 -1.57 118.68 116.67 3hty s LEU 95 Ca -0.06 0.34 0.01 0.00 -0.22 0.00 0.00 54.13 54.20 3hty s LEU 95 Cb -0.03 1.38 -0.00 0.00 0.50 0.00 0.00 46.19 48.04 3hty s LEU 95 CO 0.05 -0.29 0.02 0.35 -1.32 0.00 0.00 176.35 175.16 3hty n THR 96 N 5.38 0.00 0.23 3.68 -2.24 -0.24 -4.69 114.28 116.39 3hty n THR 96 Ca -0.03 -0.50 0.07 0.00 -2.27 0.00 0.00 64.05 61.33 3hty n THR 96 Cb 0.50 0.16 0.55 0.00 -2.10 0.00 0.00 70.33 69.44 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 1.12 1.52 -0.00 6.98 0.00 -1.94 -3.30 119.26 123.63 3hty h ALA 97 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hty h ALA 97 Cb 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hty h ALA 97 CO 0.11 0.24 -0.12 -0.25 0.00 0.00 0.00 179.25 179.23 3hty n ASP 98 N -4.07 0.75 -3.90 0.00 8.00 -1.26 -4.76 116.55 111.31 3hty n ASP 98 Ca -0.02 -0.87 -0.11 0.00 0.71 0.00 0.00 54.79 54.49 3hty n ASP 98 Cb 0.27 0.57 -0.12 0.00 -0.02 0.00 0.00 41.12 41.81 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 -1.01 0.05 -0.07 -2.24 0.01 -1.25 -1.25 113.70 107.96 3hty s SER 99 Ca 0.04 -0.13 -0.02 0.00 1.31 0.00 0.00 55.95 57.14 3hty s SER 99 Cb 0.04 0.10 0.03 0.00 0.21 0.00 0.00 66.02 66.40 3hty s SER 99 CO 0.14 -0.14 0.04 -0.22 0.41 0.00 0.00 173.24 173.46 3hty s LEU 100 N -0.60 0.38 -0.17 2.44 2.96 -0.61 -1.08 118.68 122.01 3hty s LEU 100 Ca -0.07 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.79 3hty s LEU 100 Cb -0.04 -0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.37 3hty s LEU 100 CO -0.00 -0.23 -0.18 -0.69 -1.32 0.00 0.00 176.35 173.92 3hty s VAL 101 N 2.07 2.29 0.04 1.68 1.01 -0.61 -0.36 120.40 126.53 3hty s VAL 101 Ca 0.05 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.20 3hty s VAL 101 Cb -0.12 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3hty s VAL 101 CO -0.04 0.53 -0.12 -0.76 0.00 0.00 0.00 175.10 174.70 3hty s LEU 102 N 1.10 2.93 -0.19 3.92 1.43 -0.24 -0.22 118.68 127.41 3hty s LEU 102 Ca -0.00 -0.31 -0.01 0.00 -1.03 0.00 0.00 54.13 52.78 3hty s LEU 102 Cb -0.14 -1.71 0.05 0.00 0.03 0.00 0.00 46.19 44.42 3hty s LEU 102 CO -0.07 0.25 -0.01 -0.62 0.23 0.00 0.00 176.35 176.13 3hty s ASP 103 N -1.60 3.02 -0.91 2.29 -1.08 -0.04 -0.46 116.67 117.88 3hty s ASP 103 Ca 0.17 -0.81 -0.13 0.00 -0.52 0.00 0.00 52.55 51.26 3hty s ASP 103 Cb -0.11 -0.80 0.23 0.00 -1.46 0.00 0.00 42.92 40.78 3hty s ASP 103 CO 0.08 -0.25 0.87 0.20 0.52 0.00 0.00 175.17 176.59 3hty s ASN 104 N 1.70 6.91 -1.20 -0.34 -0.87 -1.26 -1.13 114.94 118.74 3hty s ASN 104 Ca -0.01 -2.90 -0.18 0.00 -1.57 0.00 0.00 52.86 48.19 3hty s ASN 104 Cb -0.17 -2.22 -0.00 0.00 -0.02 0.00 0.00 41.25 38.84 3hty s ASN 104 CO -0.07 -0.52 0.70 0.00 -2.57 0.00 0.00 177.10 174.64 3hty n GLN 105 N 3.75 -1.59 -0.20 -0.60 0.00 -1.26 -4.79 117.38 112.69 3hty n GLN 105 Ca 0.17 0.40 0.00 0.00 0.00 0.00 0.00 57.00 57.57 3hty n GLN 105 Cb 0.45 -4.04 0.00 0.00 0.00 0.00 0.00 30.24 26.65 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 -1.79 0.70 3.65 2.61 0.00 -1.26 -5.23 105.19 103.86 3hty n GLY 106 Ca -0.14 -0.40 -0.03 0.00 0.00 0.00 0.00 46.02 45.45 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 -0.82 0.07 -0.00 1.61 2.12 -1.26 -5.06 118.70 115.35 3hty s GLU 108 Ca 0.00 0.06 0.01 0.00 0.36 0.00 0.00 54.97 55.40 3hty s GLU 108 Cb 0.00 0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.42 3hty s GLU 108 CO 0.00 -0.01 -0.02 -1.50 -0.54 0.00 0.00 175.26 173.19 3hty s ILE 109 N -0.19 0.15 -0.13 -3.70 2.07 0.39 -4.99 121.20 114.79 3hty s ILE 109 Ca 0.08 -0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 3hty s ILE 109 Cb -0.04 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 3hty s ILE 109 CO -0.14 0.05 -0.14 -0.13 -1.91 0.00 0.00 174.94 172.67 3hty s ARG 110 N 0.01 3.34 0.14 3.50 0.52 -1.26 -1.08 118.95 124.13 3hty s ARG 110 Ca 0.00 -0.71 0.11 0.00 -0.52 0.00 0.00 55.73 54.61 3hty s ARG 110 Cb -0.01 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.80 3hty s ARG 110 CO -0.00 0.19 -0.26 0.71 0.02 0.00 0.00 175.30 175.95 3hty s TYR 111 N 0.41 2.27 0.01 -0.53 2.02 0.52 -4.75 117.35 117.29 3hty s TYR 111 Ca -0.11 -0.38 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3hty s TYR 111 Cb -0.16 -1.21 -0.04 0.00 -0.40 0.00 0.00 41.96 40.15 3hty s TYR 111 CO 0.05 0.36 0.04 0.00 -1.57 0.00 0.00 175.55 174.43 3hty s ALA 112 N -1.17 3.43 0.03 3.71 0.00 -0.09 -1.57 121.76 126.09 3hty s ALA 112 Ca 0.15 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3hty s ALA 112 Cb -0.10 -1.44 -0.06 0.00 0.00 0.00 0.00 23.12 21.53 3hty s ALA 112 CO 0.06 0.67 1.34 0.21 0.00 0.00 0.00 175.76 178.05 3hty s LYS 113 N -1.72 4.32 0.03 0.00 2.47 -0.38 -0.99 119.74 123.47 3hty s LYS 113 Ca 0.22 1.92 -0.30 0.00 -1.56 0.00 0.00 55.97 56.24 3hty s LYS 113 Cb -0.12 -3.47 -0.06 0.00 -1.46 0.00 0.00 37.83 32.72 3hty s LYS 113 CO 0.13 -0.48 1.44 -1.14 0.16 0.00 0.00 175.35 175.46 3hty s GLN 114 N 1.88 4.27 0.00 4.03 0.74 0.94 -4.92 119.66 126.60 3hty s GLN 114 Ca 0.62 2.04 0.06 0.00 0.05 0.00 0.00 55.36 58.13 3hty s GLN 114 Cb -0.31 -3.54 0.05 0.00 1.10 0.00 0.00 33.01 30.31 3hty s GLN 114 CO 0.27 -0.58 0.68 0.36 -0.55 0.00 0.00 175.29 175.47