#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hty s ALA 23 N 0.00 3.46 0.29 4.61 0.00 -1.26 -5.03 121.76 123.83 3hty s ALA 23 Ca 0.00 1.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3hty s ALA 23 Cb 0.00 -3.42 -0.08 0.00 0.00 0.00 0.00 23.12 19.62 3hty s ALA 23 CO 0.00 -0.42 0.67 0.45 0.00 0.00 0.00 175.76 176.46 3hty s SER 24 N -0.38 6.73 0.09 0.00 0.15 -1.26 -4.90 113.70 114.14 3hty s SER 24 Ca 0.49 1.17 0.27 0.00 0.70 0.00 0.00 55.95 58.58 3hty s SER 24 Cb -0.36 -2.33 0.86 0.00 -1.71 0.00 0.00 66.02 62.49 3hty s SER 24 CO 0.44 -0.15 1.72 0.00 1.20 0.00 0.00 173.24 176.45 3hty n ILE 25 N -0.25 0.27 -1.87 6.45 3.06 -1.26 -4.82 119.36 120.94 3hty n ILE 25 Ca 0.02 -0.14 -0.42 0.00 -2.50 0.00 0.00 62.75 59.71 3hty n ILE 25 Cb 0.53 -0.39 -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 -3.06 2.83 -5.00 9.51 1.01 -1.26 -4.83 120.40 119.60 3hty s VAL 26 Ca 0.11 0.36 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3hty s VAL 26 Cb 0.16 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 33.30 3hty s VAL 26 CO 0.60 0.00 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3hty n GLY 27 N 4.02 -0.80 3.71 4.51 0.00 -1.26 -5.04 105.19 110.32 3hty n GLY 27 Ca 0.16 -1.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.18 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 -0.54 6.20 -0.19 1.61 0.01 -1.26 -4.48 113.70 115.05 3hty s SER 28 Ca 0.00 0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.49 3hty s SER 28 Cb 0.00 -2.10 0.03 0.00 0.21 0.00 0.00 66.02 64.15 3hty s SER 28 CO 0.00 0.13 -0.17 0.26 0.41 0.00 0.00 173.24 173.87 3hty s TRP 29 N 0.62 2.74 0.18 2.43 0.52 -0.32 -1.09 118.94 124.02 3hty s TRP 29 Ca 0.09 -1.70 0.04 0.00 0.02 0.00 0.00 56.10 54.55 3hty s TRP 29 Cb -0.12 -1.85 -0.05 0.00 -1.15 0.00 0.00 33.47 30.30 3hty s TRP 29 CO 0.01 -0.80 -0.07 0.14 0.02 0.00 0.00 176.95 176.26 3hty s VAL 30 N 1.30 1.12 0.10 4.03 -7.23 0.24 -1.48 120.40 118.47 3hty s VAL 30 Ca 0.02 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 3hty s VAL 30 Cb -0.14 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3hty s VAL 30 CO -0.11 -0.59 -0.10 -1.83 -0.31 0.00 0.00 175.10 172.16 3hty s GLU 31 N -3.79 0.85 0.71 4.82 -1.05 0.67 -0.58 118.70 120.33 3hty s GLU 31 Ca 0.21 -1.17 -0.16 0.00 -0.15 0.00 0.00 54.97 53.70 3hty s GLU 31 Cb 0.04 -0.54 0.03 0.00 -0.44 0.00 0.00 34.13 33.22 3hty s GLU 31 CO 0.04 0.08 1.26 -2.14 0.95 0.00 0.00 175.26 175.45 3hty s PRO 32 N -2.82 2.17 -0.22 -4.83 0.02 -1.26 -0.70 135.00 127.35 3hty s PRO 32 Ca 0.06 1.96 -0.23 0.00 0.02 0.00 0.00 61.00 62.81 3hty s PRO 32 Cb -0.03 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3hty s PRO 32 CO 0.00 -1.86 0.74 0.08 -0.33 0.00 0.00 177.00 175.63 3hty s VAL 33 N -1.68 4.92 0.03 3.83 1.01 -0.02 -4.64 120.40 123.85 3hty s VAL 33 Ca 0.79 1.40 -0.37 0.00 0.00 0.00 0.00 61.98 63.81 3hty s VAL 33 Cb -0.34 -4.04 -0.16 0.00 0.00 0.00 0.00 36.38 31.84 3hty s VAL 33 CO 0.44 0.01 1.48 -2.65 0.00 0.00 0.00 175.10 174.39 3hty n PRO 34 N 5.54 1.39 -0.82 2.72 -0.01 -1.26 -1.67 135.00 140.89 3hty n PRO 34 Ca 0.02 0.50 0.00 0.00 -0.01 0.00 0.00 63.50 64.02 3hty n PRO 34 Cb 0.49 -2.19 0.00 0.00 -0.01 0.00 0.00 33.50 31.79 3hty n PRO 34 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3hty n GLY 35 N 3.08 0.60 2.87 -1.23 0.00 -1.26 -4.95 105.19 104.30 3hty n GLY 35 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 3.75 0.24 0.99 1.43 -0.67 -5.09 118.68 119.33 3hty s LEU 36 Ca 0.00 -2.88 -0.31 0.00 -1.03 0.00 0.00 54.13 49.92 3hty s LEU 36 Cb 0.00 -1.43 -0.14 0.00 0.03 0.00 0.00 46.19 44.65 3hty s LEU 36 CO 0.00 -0.24 1.32 -1.84 0.23 0.00 0.00 176.35 175.81 3hty n GLU 37 N 3.26 1.84 0.00 1.70 -0.00 -1.26 -2.01 120.64 124.17 3hty n GLU 37 Ca 0.06 0.65 0.00 0.00 -0.00 0.00 0.00 57.16 57.87 3hty n GLU 37 Cb 0.33 -2.25 0.00 0.00 -0.00 0.00 0.00 31.44 29.52 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3hty n GLY 38 N 1.90 2.90 3.82 -1.84 0.00 -1.26 -5.03 105.19 105.68 3hty n GLY 38 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.13 4.21 0.22 1.61 -0.21 -0.85 -5.01 119.66 119.50 3hty s GLN 39 Ca 0.00 0.85 0.05 0.00 0.02 0.00 0.00 55.36 56.28 3hty s GLN 39 Cb 0.00 -2.78 -0.05 0.00 1.00 0.00 0.00 33.01 31.18 3hty s GLN 39 CO 0.00 0.34 -0.07 0.14 -2.12 0.00 0.00 175.29 173.58 3hty s VAL 40 N -1.62 1.36 -0.01 1.09 -7.23 -1.26 -0.84 120.40 111.88 3hty s VAL 40 Ca 0.46 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.44 3hty s VAL 40 Cb -0.15 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.61 3hty s VAL 40 CO 0.20 -0.48 0.17 0.00 -0.31 0.00 0.00 175.10 174.68 3hty s GLN 41 N -3.76 0.49 0.00 4.82 -2.07 0.12 -4.64 119.66 114.63 3hty s GLN 41 Ca 0.24 -0.30 0.00 0.00 -1.82 0.00 0.00 55.36 53.48 3hty s GLN 41 Cb 0.03 0.21 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 3hty s GLN 41 CO 0.07 -0.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.33 3hty n GLY 42 N 1.56 -0.62 2.92 2.60 0.00 -0.73 -0.24 105.19 110.68 3hty n GLY 42 Ca -0.22 -0.61 -0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.60 0.48 0.56 -0.61 1.01 -0.55 -0.31 121.20 118.19 3hty s ILE 43 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.56 3hty s ILE 43 Cb 0.00 -0.47 0.08 0.00 0.01 0.00 0.00 42.46 42.08 3hty s ILE 43 CO 0.00 0.18 0.64 1.17 0.00 0.00 0.00 174.94 176.93 3hty n LYS 44 N 3.57 0.64 -3.59 2.79 4.81 0.30 -1.17 118.16 125.51 3hty n LYS 44 Ca -0.20 -3.23 -0.05 0.00 -0.87 0.00 0.00 58.31 53.96 3hty n LYS 44 Cb 0.54 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.56 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 -4.46 0.36 0.32 1.64 2.02 -0.07 -1.07 118.70 117.43 3hty s GLU 46 Ca 0.49 -0.09 -0.28 0.00 0.02 0.00 0.00 54.97 55.10 3hty s GLU 46 Cb -0.04 0.17 -0.13 0.00 0.10 0.00 0.00 34.13 34.23 3hty s GLU 46 CO 0.31 -0.15 1.26 0.39 0.02 0.00 0.00 175.26 177.09 3hty n GLU 47 N 0.04 1.99 -0.03 1.61 -0.58 -1.26 -1.93 120.64 120.48 3hty n GLU 47 Ca -0.02 0.70 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 3hty n GLU 47 Cb 0.59 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 29.20 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 1.01 0.57 0.54 0.62 0.00 -1.26 -4.53 105.19 102.13 3hty n GLY 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.57 3.74 -0.02 0.00 -0.81 -5.05 105.19 101.61 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 -2.30 3.78 0.13 1.61 1.01 -1.25 -1.33 120.40 122.05 3hty s VAL 50 Ca 0.00 1.55 0.10 0.00 0.00 0.00 0.00 61.98 63.63 3hty s VAL 50 Cb 0.00 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.35 3hty s VAL 50 CO 0.00 0.27 -0.25 0.00 0.00 0.00 0.00 175.10 175.12 3hty s ALA 51 N -0.28 2.21 -0.01 5.51 0.00 -0.60 -0.90 121.76 127.69 3hty s ALA 51 Ca 0.50 -1.41 -0.15 0.00 0.00 0.00 0.00 51.96 50.89 3hty s ALA 51 Cb -0.30 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.51 3hty s ALA 51 CO 0.36 0.47 0.31 -1.54 0.00 0.00 0.00 175.76 175.37 3hty s SER 52 N -2.06 -0.19 0.37 0.00 1.04 -0.24 -2.84 113.70 109.79 3hty s SER 52 Ca 0.12 0.06 -0.26 0.00 0.48 0.00 0.00 55.95 56.35 3hty s SER 52 Cb -0.10 0.32 -0.09 0.00 0.10 0.00 0.00 66.02 66.25 3hty s SER 52 CO 0.06 -0.47 1.11 -0.44 0.98 0.00 0.00 173.24 174.48 3hty s SER 53 N -1.41 6.80 -0.32 7.02 0.01 -1.26 -0.54 113.70 124.01 3hty s SER 53 Ca -0.13 2.23 -0.05 0.00 1.31 0.00 0.00 55.95 59.31 3hty s SER 53 Cb -0.05 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.61 3hty s SER 53 CO 0.04 -0.47 0.06 -0.69 0.41 0.00 0.00 173.24 172.59 3hty s VAL 54 N -1.42 3.54 -0.28 3.43 1.01 0.57 -4.82 120.40 122.43 3hty s VAL 54 Ca 0.54 -1.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 3hty s VAL 54 Cb -0.28 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3hty s VAL 54 CO 0.36 -0.10 0.07 -3.20 0.00 0.00 0.00 175.10 172.23 3hty n ASN 55 N 4.76 -7.79 0.00 3.32 5.15 -1.26 -1.77 115.26 117.66 3hty n ASN 55 Ca -0.13 1.18 0.00 0.00 -0.60 0.00 0.00 54.58 55.03 3hty n ASN 55 Cb 0.45 -4.75 0.00 0.00 -0.53 0.00 0.00 39.78 34.95 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 0.68 0.97 0.08 5.20 0.00 -1.26 -4.78 120.51 121.41 3hty n ALA 57 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 3hty n ALA 57 Cb 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 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 1.60 -3.45 0.00 2.02 -1.97 -3.44 112.91 107.67 3hty h THR 58 Ca 0.00 -3.21 -0.62 0.00 0.77 0.00 0.00 66.41 63.34 3hty h THR 58 Cb 0.00 2.88 -0.17 0.00 -1.74 0.00 0.00 68.15 69.12 3hty h THR 58 CO 0.00 0.93 -0.55 -0.76 0.37 0.00 0.00 175.52 175.51 3hty s LEU 59 N -6.96 3.86 -0.57 2.58 1.43 -1.26 -0.69 118.68 117.05 3hty s LEU 59 Ca -0.02 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 3hty s LEU 59 Cb 0.09 -2.01 0.15 0.00 0.03 0.00 0.00 46.19 44.45 3hty s LEU 59 CO 0.85 0.10 0.36 -0.69 0.23 0.00 0.00 176.35 177.20 3hty s VAL 60 N 0.82 3.25 0.49 -1.59 1.01 0.35 -4.71 120.40 120.02 3hty s VAL 60 Ca 0.05 -3.06 -0.22 0.00 0.00 0.00 0.00 61.98 58.75 3hty s VAL 60 Cb -0.13 -3.17 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 3hty s VAL 60 CO 0.02 -0.84 1.21 -0.31 0.00 0.00 0.00 175.10 175.19 3hty s TYR 61 N -0.10 2.70 0.00 5.22 2.02 -1.26 -0.99 117.35 124.94 3hty s TYR 61 Ca 0.17 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.36 3hty s TYR 61 Cb -0.22 -3.48 0.00 0.00 -0.40 0.00 0.00 41.96 37.86 3hty s TYR 61 CO -0.02 -1.87 0.00 0.39 -1.57 0.00 0.00 175.55 172.47 3hty n GLU 62 N -0.72 0.00 -3.94 -0.62 1.02 0.07 -4.13 120.64 112.32 3hty n GLU 62 Ca 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.14 3hty n GLU 62 Cb 0.48 -0.68 -0.08 0.00 -0.02 0.00 0.00 31.44 31.13 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 -3.90 0.22 0.05 1.62 1.04 -0.92 -1.56 113.70 110.25 3hty s SER 63 Ca 0.00 -0.79 0.02 0.00 0.48 0.00 0.00 55.95 55.66 3hty s SER 63 Cb 0.00 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.40 3hty s SER 63 CO 0.00 -0.71 -0.07 -1.66 0.98 0.00 0.00 173.24 171.78 3hty s TRP 64 N -3.90 0.68 -0.08 5.02 1.48 -0.44 -0.84 118.94 120.86 3hty s TRP 64 Ca 0.08 -0.55 -0.08 0.00 -1.06 0.00 0.00 56.10 54.49 3hty s TRP 64 Cb 0.06 -0.41 0.02 0.00 -1.16 0.00 0.00 33.47 31.98 3hty s TRP 64 CO -0.09 -0.10 0.23 0.15 -4.06 0.00 0.00 176.95 173.09 3hty s LYS 65 N -1.82 0.30 -0.16 3.25 1.02 -0.25 -4.65 119.74 117.43 3hty s LYS 65 Ca -0.08 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.19 3hty s LYS 65 Cb -0.08 0.14 0.01 0.00 -0.52 0.00 0.00 37.83 37.38 3hty s LYS 65 CO -0.00 -0.04 -0.20 -1.14 -0.92 0.00 0.00 175.35 173.04 3hty s GLN 66 N -0.02 3.03 -0.22 1.68 0.74 -1.26 -0.58 119.66 123.03 3hty s GLN 66 Ca -0.01 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.58 3hty s GLN 66 Cb -0.02 -2.53 0.04 0.00 1.10 0.00 0.00 33.01 31.60 3hty s GLN 66 CO 0.01 -0.11 -0.13 -1.21 -0.55 0.00 0.00 175.29 173.30 3hty s GLU 67 N 1.06 2.36 7.77 1.67 2.02 -0.40 -4.97 118.70 128.20 3hty s GLU 67 Ca -0.01 -1.04 0.00 0.00 0.02 0.00 0.00 54.97 53.94 3hty s GLU 67 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3hty s GLU 67 CO -0.07 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.19 3hty n GLY 68 N 4.57 3.39 1.24 -1.39 0.00 -1.26 -0.21 105.19 111.53 3hty n GLY 68 Ca -0.16 -0.11 0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 2.29 -3.52 2.61 -2.24 -1.26 -4.96 114.28 107.21 3hty n THR 69 Ca 0.00 -1.61 -0.38 0.00 -2.27 0.00 0.00 64.05 59.79 3hty n THR 69 Cb 0.00 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.00 3hty n THR 69 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hty s LYS 70 N -2.58 3.94 -0.14 -0.78 2.20 0.70 -0.74 119.74 122.34 3hty s LYS 70 Ca 0.45 0.35 -0.02 0.00 -0.36 0.00 0.00 55.97 56.40 3hty s LYS 70 Cb 0.35 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 33.39 3hty s LYS 70 CO 0.13 0.62 -0.08 -1.17 -0.36 0.00 0.00 175.35 174.50 3hty s LEU 71 N -0.83 3.03 -0.16 5.43 2.96 -1.26 -1.28 118.68 126.58 3hty s LEU 71 Ca 0.23 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3hty s LEU 71 Cb -0.16 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.83 3hty s LEU 71 CO 0.12 0.18 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.49 3hty s ILE 72 N 0.31 2.15 -0.01 6.68 1.09 0.26 -4.30 121.20 127.36 3hty s ILE 72 Ca -0.06 -0.94 0.08 0.00 -1.10 0.00 0.00 60.65 58.63 3hty s ILE 72 Cb -0.15 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.36 3hty s ILE 72 CO 0.04 0.54 -0.25 -0.76 -0.10 0.00 0.00 174.94 174.41 3hty s LEU 73 N 0.98 2.06 0.14 2.97 1.43 0.27 -1.09 118.68 125.42 3hty s LEU 73 Ca -0.03 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3hty s LEU 73 Cb -0.15 -1.29 -0.04 0.00 0.03 0.00 0.00 46.19 44.74 3hty s LEU 73 CO -0.05 0.30 -0.12 0.42 0.23 0.00 0.00 176.35 177.13 3hty s THR 74 N -0.61 1.27 -1.18 5.49 -4.23 -0.02 -0.30 115.64 116.06 3hty s THR 74 Ca 0.10 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.74 3hty s THR 74 Cb -0.10 -1.66 0.00 0.00 1.34 0.00 0.00 72.50 72.08 3hty s THR 74 CO -0.01 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 3hty n GLY 75 N 0.21 -0.69 3.04 3.99 0.00 -1.01 -0.75 105.19 109.98 3hty n GLY 75 Ca -0.13 -0.75 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.47 0.47 0.02 1.61 -2.85 -0.16 -0.57 119.74 117.79 3hty s LYS 76 Ca 0.00 -0.81 0.03 0.00 -1.00 0.00 0.00 55.97 54.18 3hty s LYS 76 Cb 0.00 -0.03 -0.04 0.00 -2.06 0.00 0.00 37.83 35.70 3hty s LYS 76 CO 0.00 -0.02 -0.02 -1.54 0.10 0.00 0.00 175.35 173.87 3hty s SER 77 N -1.86 4.96 -0.05 0.03 1.04 -0.22 -0.50 113.70 117.10 3hty s SER 77 Ca -0.08 -0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.30 3hty s SER 77 Cb -0.06 -1.23 -0.02 0.00 0.10 0.00 0.00 66.02 64.81 3hty s SER 77 CO -0.02 0.26 -0.16 -0.63 0.98 0.00 0.00 173.24 173.67 3hty s ILE 78 N -1.11 2.95 0.00 -1.02 1.01 0.13 -1.55 121.20 121.61 3hty s ILE 78 Ca 0.20 -0.76 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3hty s ILE 78 Cb -0.11 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.21 3hty s ILE 78 CO 0.11 0.59 0.00 0.61 0.00 0.00 0.00 174.94 176.25 3hty n GLY 79 N 2.37 3.08 2.43 6.18 0.00 -0.58 -4.83 105.19 113.84 3hty n GLY 79 Ca -0.17 -0.81 -0.20 0.00 0.00 0.00 0.00 46.02 44.83 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 -5.80 -2.40 1.61 3.02 -1.26 -0.74 115.26 109.69 3hty n ASN 80 Ca 0.00 -0.01 -0.21 0.00 -0.03 0.00 0.00 54.58 54.33 3hty n ASN 80 Cb 0.00 -4.83 -0.01 0.00 -0.61 0.00 0.00 39.78 34.34 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 -1.02 -0.49 3.15 7.41 0.00 -1.26 -4.97 105.19 108.01 3hty n GLY 81 Ca -0.24 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 -5.08 0.69 0.00 1.61 1.11 0.09 -5.16 119.66 112.92 3hty s GLN 82 Ca 0.02 -0.86 0.02 0.00 0.01 0.00 0.00 55.36 54.55 3hty s GLN 82 Cb -0.01 0.27 -0.01 0.00 -1.01 0.00 0.00 33.01 32.26 3hty s GLN 82 CO 0.03 -0.19 -0.07 0.95 0.01 0.00 0.00 175.29 176.01 3hty s THR 83 N -3.18 0.56 -0.05 -0.19 -4.23 -1.26 -1.52 115.64 105.76 3hty s THR 83 Ca -0.00 -0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 60.08 3hty s THR 83 Cb 0.02 -0.50 0.03 0.00 1.34 0.00 0.00 72.50 73.39 3hty s THR 83 CO -0.07 0.07 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.43 3hty s ILE 84 N -0.35 0.42 0.54 2.99 1.01 -0.59 -4.94 121.20 120.26 3hty s ILE 84 Ca 0.01 0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 3hty s ILE 84 Cb -0.04 -0.51 -0.06 0.00 0.01 0.00 0.00 42.46 41.86 3hty s ILE 84 CO -0.00 0.23 1.12 -1.61 0.00 0.00 0.00 174.94 174.68 3hty s GLU 85 N 1.38 3.41 0.05 2.79 0.41 -1.26 -1.05 118.70 124.43 3hty s GLU 85 Ca -0.04 1.59 -0.01 0.00 -0.41 0.00 0.00 54.97 56.10 3hty s GLU 85 Cb -0.13 -2.02 -0.04 0.00 -1.78 0.00 0.00 34.13 30.16 3hty s GLU 85 CO -0.03 -0.80 -0.03 -0.59 -0.49 0.00 0.00 175.26 173.33 3hty s PHE 86 N -1.79 0.55 -0.05 1.61 -0.12 0.27 -4.91 117.98 113.53 3hty s PHE 86 Ca 0.72 -1.03 -0.00 0.00 -0.05 0.00 0.00 56.93 56.56 3hty s PHE 86 Cb -0.23 -0.40 0.03 0.00 -0.63 0.00 0.00 43.02 41.79 3hty s PHE 86 CO 0.26 -0.35 -0.01 0.08 -0.05 0.00 0.00 175.22 175.15 3hty s VAL 87 N -3.80 0.39 0.01 -2.49 1.01 -1.26 -2.40 120.40 111.87 3hty s VAL 87 Ca 0.07 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.15 3hty s VAL 87 Cb 0.07 -0.50 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 3hty s VAL 87 CO -0.09 0.23 -0.20 -1.81 0.00 0.00 0.00 175.10 173.22 3hty s ASP 88 N 1.46 3.60 0.13 3.32 1.01 0.59 -4.98 116.67 121.78 3hty s ASP 88 Ca -0.03 -0.42 0.06 0.00 0.71 0.00 0.00 52.55 52.87 3hty s ASP 88 Cb -0.13 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.21 3hty s ASP 88 CO -0.03 0.29 -0.14 -0.89 0.21 0.00 0.00 175.17 174.61 3hty s THR 89 N -0.81 1.34 -0.07 -1.27 2.01 -1.26 -0.57 115.64 115.01 3hty s THR 89 Ca 0.13 -1.76 0.04 0.00 0.31 0.00 0.00 61.69 60.41 3hty s THR 89 Cb -0.10 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 70.84 3hty s THR 89 CO 0.03 -0.44 -0.20 -1.81 -0.69 0.00 0.00 174.62 171.51 3hty s ASP 91 N -2.53 2.53 -0.29 3.53 1.01 -0.24 -4.70 116.67 115.98 3hty s ASP 91 Ca 0.10 -0.44 -0.29 0.00 0.71 0.00 0.00 52.55 52.63 3hty s ASP 91 Cb -0.04 -0.98 0.01 0.00 1.01 0.00 0.00 42.92 42.92 3hty s ASP 91 CO 0.03 0.14 1.05 -0.63 0.21 0.00 0.00 175.17 175.97 3hty s ILE 92 N 0.26 4.58 -0.15 0.77 1.01 0.08 -0.54 121.20 127.22 3hty s ILE 92 Ca -0.12 1.80 0.19 0.00 0.00 0.00 0.00 60.65 62.52 3hty s ILE 92 Cb -0.15 -4.37 -0.27 0.00 0.01 0.00 0.00 42.46 37.68 3hty s ILE 92 CO 0.05 -0.37 0.23 0.29 0.00 0.00 0.00 174.94 175.14 3hty n LYS 93 N 6.66 0.68 -3.73 2.79 4.76 0.76 -4.92 118.16 125.16 3hty n LYS 93 Ca 0.12 -0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.39 3hty n LYS 93 Cb 0.47 -1.54 -0.10 0.00 -1.84 0.00 0.00 35.03 32.01 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 -2.78 0.44 -0.21 1.97 3.52 -1.08 -4.96 118.95 115.86 3hty s ARG 94 Ca -0.09 0.59 -0.04 0.00 -0.13 0.00 0.00 55.73 56.07 3hty s ARG 94 Cb 0.08 0.16 0.10 0.00 -1.56 0.00 0.00 34.95 33.74 3hty s ARG 94 CO 0.85 -0.08 0.27 -1.17 -0.81 0.00 0.00 175.30 174.36 3hty s LEU 95 N 0.47 -0.26 0.00 -0.88 2.96 -1.26 -1.11 118.68 118.61 3hty s LEU 95 Ca -0.02 -0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 3hty s LEU 95 Cb -0.04 0.60 -0.01 0.00 0.50 0.00 0.00 46.19 47.24 3hty s LEU 95 CO -0.02 -0.31 0.07 0.35 -1.32 0.00 0.00 176.35 175.12 3hty n THR 96 N 5.33 0.00 0.26 3.68 -2.24 0.04 -4.62 114.28 116.74 3hty n THR 96 Ca -0.05 -1.29 0.12 0.00 -2.27 0.00 0.00 64.05 60.55 3hty n THR 96 Cb 0.50 0.44 0.73 0.00 -2.10 0.00 0.00 70.33 69.89 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 1.34 1.45 0.00 6.98 0.00 -1.94 -3.28 119.26 123.80 3hty h ALA 97 Ca -0.18 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3hty h ALA 97 Cb 0.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3hty h ALA 97 CO 0.29 0.12 -0.85 -0.25 0.00 0.00 0.00 179.25 178.57 3hty n ASP 98 N -3.86 2.03 -4.07 0.00 8.00 -1.26 -4.72 116.55 112.67 3hty n ASP 98 Ca -0.02 -0.30 -0.17 0.00 0.71 0.00 0.00 54.79 55.01 3hty n ASP 98 Cb 0.20 1.16 -0.13 0.00 -0.02 0.00 0.00 41.12 42.33 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 -2.23 1.14 -0.15 -2.24 0.01 -1.24 -1.27 113.70 107.71 3hty s SER 99 Ca -0.00 -0.37 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 3hty s SER 99 Cb 0.05 -0.06 0.05 0.00 0.21 0.00 0.00 66.02 66.27 3hty s SER 99 CO 0.27 -0.02 0.05 -0.22 0.41 0.00 0.00 173.24 173.73 3hty s LEU 100 N -0.94 0.74 -0.21 2.44 2.96 -0.61 -0.78 118.68 122.28 3hty s LEU 100 Ca -0.01 -0.54 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 3hty s LEU 100 Cb -0.07 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.18 3hty s LEU 100 CO 0.01 -0.29 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.02 3hty s VAL 101 N 1.99 3.57 0.16 1.68 1.01 -0.27 -0.55 120.40 127.98 3hty s VAL 101 Ca 0.02 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3hty s VAL 101 Cb -0.15 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 3hty s VAL 101 CO -0.07 0.43 -0.13 -0.76 0.00 0.00 0.00 175.10 174.57 3hty s LEU 102 N 1.26 2.87 -0.14 3.92 1.43 0.23 -0.17 118.68 128.08 3hty s LEU 102 Ca 0.03 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.55 3hty s LEU 102 Cb -0.14 -1.61 0.04 0.00 0.03 0.00 0.00 46.19 44.50 3hty s LEU 102 CO -0.01 0.13 -0.02 -0.62 0.23 0.00 0.00 176.35 176.07 3hty s ASP 103 N -2.56 2.45 -0.82 2.29 -1.08 0.30 -1.05 116.67 116.20 3hty s ASP 103 Ca 0.22 -0.52 -0.09 0.00 -0.52 0.00 0.00 52.55 51.65 3hty s ASP 103 Cb -0.09 -0.69 0.21 0.00 -1.46 0.00 0.00 42.92 40.89 3hty s ASP 103 CO 0.13 -0.21 0.73 0.21 0.52 0.00 0.00 175.17 176.54 3hty s ASN 104 N 1.79 6.32 -1.35 -0.34 3.84 -1.26 -1.08 114.94 122.86 3hty s ASN 104 Ca 0.02 -3.00 -0.05 0.00 0.21 0.00 0.00 52.86 50.04 3hty s ASN 104 Cb -0.15 -2.07 -0.00 0.00 -0.55 0.00 0.00 41.25 38.48 3hty s ASN 104 CO -0.07 -0.43 0.49 0.00 -2.79 0.00 0.00 177.10 174.30 3hty n GLN 105 N 3.45 -2.89 0.00 0.43 10.64 -1.26 -4.81 117.38 122.93 3hty n GLN 105 Ca 0.15 0.41 0.00 0.00 -1.83 0.00 0.00 57.00 55.72 3hty n GLN 105 Cb 0.42 -4.41 0.00 0.00 -0.86 0.00 0.00 30.24 25.39 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3hty n GLY 106 N -1.93 0.66 3.64 2.61 0.00 -1.26 -5.23 105.19 103.68 3hty n GLY 106 Ca -0.27 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 0.40 0.58 -0.02 1.61 2.12 -1.26 -5.09 118.70 117.04 3hty s GLU 108 Ca 0.00 0.76 0.01 0.00 0.36 0.00 0.00 54.97 56.09 3hty s GLU 108 Cb 0.00 0.25 0.02 0.00 0.26 0.00 0.00 34.13 34.66 3hty s GLU 108 CO 0.00 -0.08 -0.00 -1.50 -0.54 0.00 0.00 175.26 173.14 3hty s ILE 109 N 0.56 0.17 -0.15 -3.70 1.10 -0.22 -5.00 121.20 113.97 3hty s ILE 109 Ca -0.01 0.05 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 3hty s ILE 109 Cb -0.05 -0.24 -0.01 0.00 0.15 0.00 0.00 42.46 42.32 3hty s ILE 109 CO -0.07 0.12 -0.14 -0.13 -2.11 0.00 0.00 174.94 172.61 3hty s ARG 110 N 0.77 3.27 0.18 3.50 0.52 -1.26 -0.60 118.95 125.34 3hty s ARG 110 Ca -0.08 -0.73 0.10 0.00 -0.52 0.00 0.00 55.73 54.51 3hty s ARG 110 Cb -0.11 -2.64 -0.04 0.00 0.52 0.00 0.00 34.95 32.68 3hty s ARG 110 CO -0.01 0.07 -0.16 0.71 0.02 0.00 0.00 175.30 175.93 3hty s TYR 111 N 0.68 2.49 0.12 -0.53 2.02 0.28 -4.77 117.35 117.65 3hty s TYR 111 Ca -0.07 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.43 3hty s TYR 111 Cb -0.16 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.14 3hty s TYR 111 CO 0.02 0.50 -0.11 0.00 -1.57 0.00 0.00 175.55 174.39 3hty s ALA 112 N -1.67 2.92 0.11 3.71 0.00 0.25 -1.58 121.76 125.50 3hty s ALA 112 Ca 0.23 -1.31 -0.31 0.00 0.00 0.00 0.00 51.96 50.57 3hty s ALA 112 Cb -0.08 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 3hty s ALA 112 CO 0.13 0.60 1.50 0.21 0.00 0.00 0.00 175.76 178.19 3hty s LYS 113 N -2.34 4.26 0.25 0.00 2.47 -0.40 -0.60 119.74 123.39 3hty s LYS 113 Ca 0.22 2.20 -0.30 0.00 -1.56 0.00 0.00 55.97 56.52 3hty s LYS 113 Cb -0.11 -3.33 -0.10 0.00 -1.46 0.00 0.00 37.83 32.84 3hty s LYS 113 CO 0.14 -0.56 1.49 -1.14 0.16 0.00 0.00 175.35 175.43 3hty s GLN 114 N 1.57 4.23 0.00 4.03 0.74 -0.25 -4.88 119.66 125.09 3hty s GLN 114 Ca 0.68 2.38 0.31 0.00 0.05 0.00 0.00 55.36 58.77 3hty s GLN 114 Cb -0.39 -3.09 1.83 0.00 1.10 0.00 0.00 33.01 32.46 3hty s GLN 114 CO 0.30 -0.49 2.16 0.36 -0.55 0.00 0.00 175.29 177.07