#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 2.76 0.18 4.61 0.00 -1.26 -5.03 121.76 123.02 3hty s ALA 23 Ca 0.00 0.57 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 3hty s ALA 23 Cb 0.00 -3.27 -0.07 0.00 0.00 0.00 0.00 23.12 19.78 3hty s ALA 23 CO 0.00 -0.64 0.59 0.45 0.00 0.00 0.00 175.76 176.16 3hty s SER 24 N -2.25 6.83 0.08 0.00 0.15 -1.26 -4.88 113.70 112.37 3hty s SER 24 Ca 0.67 1.13 0.28 0.00 0.70 0.00 0.00 55.95 58.72 3hty s SER 24 Cb -0.18 -2.31 1.08 0.00 -1.71 0.00 0.00 66.02 62.90 3hty s SER 24 CO 0.28 0.05 1.87 0.00 1.20 0.00 0.00 173.24 176.64 3hty n ILE 25 N 0.59 0.23 -2.02 6.45 3.06 -1.26 -4.82 119.36 121.60 3hty n ILE 25 Ca -0.03 -0.10 -0.42 0.00 -2.50 0.00 0.00 62.75 59.69 3hty n ILE 25 Cb 0.52 -0.54 -0.03 0.00 0.54 0.00 0.00 39.64 40.13 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 -3.04 3.04 -5.00 9.51 1.01 -1.26 -4.85 120.40 119.81 3hty s VAL 26 Ca 0.13 0.65 0.00 0.00 0.00 0.00 0.00 61.98 62.76 3hty s VAL 26 Cb 0.16 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3hty s VAL 26 CO 0.55 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.29 3hty n GLY 27 N 3.75 -0.42 3.63 4.51 0.00 -1.26 -5.05 105.19 110.35 3hty n GLY 27 Ca 0.14 -1.62 -0.35 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 -2.26 5.62 -0.14 1.61 0.01 -1.26 -4.41 113.70 112.86 3hty s SER 28 Ca 0.00 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.35 3hty s SER 28 Cb 0.00 -1.97 0.02 0.00 0.21 0.00 0.00 66.02 64.28 3hty s SER 28 CO 0.00 0.16 -0.18 0.26 0.41 0.00 0.00 173.24 173.89 3hty s TRP 29 N 0.44 2.36 0.16 2.43 0.52 -0.18 -0.07 118.94 124.61 3hty s TRP 29 Ca 0.03 -1.25 0.03 0.00 0.02 0.00 0.00 56.10 54.94 3hty s TRP 29 Cb -0.12 -1.67 -0.05 0.00 -1.15 0.00 0.00 33.47 30.48 3hty s TRP 29 CO 0.00 -0.62 -0.05 0.14 0.02 0.00 0.00 176.95 176.44 3hty s VAL 30 N 1.11 0.93 0.05 4.03 -7.23 0.12 -1.34 120.40 118.07 3hty s VAL 30 Ca -0.02 -2.01 -0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3hty s VAL 30 Cb -0.14 -1.99 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3hty s VAL 30 CO -0.06 -0.62 -0.04 -1.83 -0.31 0.00 0.00 175.10 172.25 3hty s GLU 31 N -3.83 0.59 0.44 4.82 -1.05 0.18 -0.64 118.70 119.21 3hty s GLU 31 Ca 0.20 -1.11 -0.26 0.00 -0.15 0.00 0.00 54.97 53.66 3hty s GLU 31 Cb 0.05 0.10 -0.09 0.00 -0.44 0.00 0.00 34.13 33.75 3hty s GLU 31 CO 0.02 -0.08 1.40 -2.14 0.95 0.00 0.00 175.26 175.42 3hty s PRO 32 N -3.34 3.78 -0.17 -4.83 0.02 -1.26 -0.93 135.00 128.26 3hty s PRO 32 Ca 0.03 2.37 -0.29 0.00 0.02 0.00 0.00 61.00 63.13 3hty s PRO 32 Cb 0.03 -2.70 -0.02 0.00 0.02 0.00 0.00 34.50 31.83 3hty s PRO 32 CO -0.07 -0.73 1.40 0.08 -0.33 0.00 0.00 177.00 177.35 3hty s VAL 33 N -1.21 4.03 0.15 3.83 1.01 -0.51 -4.74 120.40 122.96 3hty s VAL 33 Ca 0.59 1.22 -0.34 0.00 0.00 0.00 0.00 61.98 63.45 3hty s VAL 33 Cb -0.43 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 3hty s VAL 33 CO 0.55 -0.20 1.50 -2.65 0.00 0.00 0.00 175.10 174.30 3hty n PRO 34 N 6.99 1.88 -0.81 2.72 -0.02 -1.26 -1.65 135.00 142.85 3hty n PRO 34 Ca 0.15 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3hty n PRO 34 Cb 0.45 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 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 3.09 1.15 2.69 -1.23 0.00 -1.26 -4.95 105.19 104.68 3hty n GLY 35 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 2.53 0.26 0.99 1.43 -0.66 -5.11 118.68 118.13 3hty s LEU 36 Ca 0.00 -2.60 -0.31 0.00 -1.03 0.00 0.00 54.13 50.19 3hty s LEU 36 Cb 0.00 -0.97 -0.13 0.00 0.03 0.00 0.00 46.19 45.12 3hty s LEU 36 CO 0.00 -0.27 1.48 -1.84 0.23 0.00 0.00 176.35 175.96 3hty n GLU 37 N 3.56 2.30 0.00 1.70 -0.00 -1.26 -2.56 120.64 124.38 3hty n GLU 37 Ca 0.09 0.82 0.00 0.00 -0.00 0.00 0.00 57.16 58.07 3hty n GLU 37 Cb 0.35 -2.52 0.00 0.00 -0.00 0.00 0.00 31.44 29.26 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 2.17 2.29 3.89 -1.84 0.00 -1.26 -5.04 105.19 105.40 3hty n GLY 38 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.49 3.65 0.10 1.61 -1.52 -1.06 -5.04 119.66 116.92 3hty s GLN 39 Ca 0.00 -0.03 0.05 0.00 -1.95 0.00 0.00 55.36 53.43 3hty s GLN 39 Cb 0.00 -2.80 -0.03 0.00 -0.22 0.00 0.00 33.01 29.96 3hty s GLN 39 CO 0.00 0.42 -0.12 0.14 -0.25 0.00 0.00 175.29 175.48 3hty s VAL 40 N -1.72 1.08 0.06 1.09 -7.23 -1.26 -1.42 120.40 111.00 3hty s VAL 40 Ca 0.42 -1.58 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 3hty s VAL 40 Cb -0.12 -1.33 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3hty s VAL 40 CO 0.24 -0.45 0.07 0.00 -0.31 0.00 0.00 175.10 174.65 3hty s GLN 41 N -2.52 0.69 0.00 4.82 -2.07 -0.10 -4.71 119.66 115.77 3hty s GLN 41 Ca 0.05 -1.06 0.00 0.00 -1.82 0.00 0.00 55.36 52.52 3hty s GLN 41 Cb -0.05 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3hty s GLN 41 CO 0.01 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.22 3hty n GLY 42 N 0.13 -0.70 2.88 2.60 0.00 0.28 -0.64 105.19 109.74 3hty n GLY 42 Ca -0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.01 0.38 -0.61 2.07 -0.45 0.12 121.20 118.69 3hty s ILE 43 Ca 0.00 0.05 0.05 0.00 -1.41 0.00 0.00 60.65 59.34 3hty s ILE 43 Cb 0.00 -0.07 0.05 0.00 0.13 0.00 0.00 42.46 42.57 3hty s ILE 43 CO 0.00 0.02 0.40 1.17 -1.91 0.00 0.00 174.94 174.62 3hty n LYS 44 N 3.35 0.85 -3.62 3.50 4.81 0.00 -1.02 118.16 126.04 3hty n LYS 44 Ca -0.16 -2.19 -0.04 0.00 -0.87 0.00 0.00 58.31 55.06 3hty n LYS 44 Cb 0.57 0.05 -0.03 0.00 0.02 0.00 0.00 35.03 35.65 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 -3.62 0.19 0.31 1.64 2.02 0.23 -1.30 118.70 118.18 3hty s GLU 46 Ca 0.30 -0.05 -0.29 0.00 0.02 0.00 0.00 54.97 54.96 3hty s GLU 46 Cb -0.02 0.09 -0.12 0.00 0.10 0.00 0.00 34.13 34.17 3hty s GLU 46 CO 0.19 -0.08 1.39 0.39 0.02 0.00 0.00 175.26 177.17 3hty n GLU 47 N 0.09 2.26 0.00 1.61 -0.58 -1.26 -2.11 120.64 120.65 3hty n GLU 47 Ca 0.01 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.55 3hty n GLU 47 Cb 0.58 -2.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.00 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 1.26 0.30 1.06 0.62 0.00 -1.26 -4.48 105.19 102.68 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 -1.79 0.80 3.74 -0.02 0.00 -0.90 -5.05 105.19 101.98 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 -2.59 3.74 0.08 1.61 1.01 -1.24 -1.25 120.40 121.76 3hty s VAL 50 Ca 0.00 1.58 0.08 0.00 0.00 0.00 0.00 61.98 63.64 3hty s VAL 50 Cb 0.00 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3hty s VAL 50 CO 0.00 0.31 -0.20 0.00 0.00 0.00 0.00 175.10 175.21 3hty s ALA 51 N -0.56 1.72 -0.00 5.51 0.00 -0.91 -0.61 121.76 126.91 3hty s ALA 51 Ca 0.48 -1.17 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 3hty s ALA 51 Cb -0.30 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.57 3hty s ALA 51 CO 0.37 0.35 0.13 -1.54 0.00 0.00 0.00 175.76 175.06 3hty s SER 52 N -1.71 0.01 0.34 0.00 1.04 -0.42 -2.80 113.70 110.18 3hty s SER 52 Ca 0.06 -0.16 -0.27 0.00 0.48 0.00 0.00 55.95 56.06 3hty s SER 52 Cb -0.10 0.21 -0.09 0.00 0.10 0.00 0.00 66.02 66.14 3hty s SER 52 CO 0.03 -0.32 1.18 -0.44 0.98 0.00 0.00 173.24 174.67 3hty s SER 53 N -1.19 6.83 -0.33 7.02 0.01 -1.26 -0.82 113.70 123.96 3hty s SER 53 Ca -0.13 2.41 -0.06 0.00 1.31 0.00 0.00 55.95 59.48 3hty s SER 53 Cb -0.07 -2.63 0.03 0.00 0.21 0.00 0.00 66.02 63.57 3hty s SER 53 CO 0.01 -0.46 0.09 -0.69 0.41 0.00 0.00 173.24 172.60 3hty s VAL 54 N -1.27 3.76 -0.34 3.43 1.01 0.12 -4.83 120.40 122.27 3hty s VAL 54 Ca 0.51 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 3hty s VAL 54 Cb -0.33 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3hty s VAL 54 CO 0.43 -0.12 0.25 -3.20 0.00 0.00 0.00 175.10 172.46 3hty n ASN 55 N 4.81 -7.82 0.00 3.32 5.15 -1.26 -0.56 115.26 118.90 3hty n ASN 55 Ca -0.13 0.98 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 3hty n ASN 55 Cb 0.45 -4.97 0.00 0.00 -0.53 0.00 0.00 39.78 34.73 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 0.34 0.39 0.07 5.20 0.00 -1.26 -4.78 120.51 120.47 3hty n ALA 57 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 3hty n ALA 57 Cb 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.53 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 0.94 -3.68 0.00 2.02 -1.95 -3.44 112.91 106.79 3hty h THR 58 Ca 0.00 -2.53 -0.66 0.00 0.77 0.00 0.00 66.41 63.99 3hty h THR 58 Cb 0.00 2.76 -0.17 0.00 -1.74 0.00 0.00 68.15 69.00 3hty h THR 58 CO 0.00 0.86 -0.31 -0.76 0.37 0.00 0.00 175.52 175.67 3hty s LEU 59 N -7.27 4.42 -0.46 2.58 1.43 -1.26 -1.37 118.68 116.75 3hty s LEU 59 Ca -0.16 -0.23 -0.06 0.00 -1.03 0.00 0.00 54.13 52.66 3hty s LEU 59 Cb 0.05 -2.31 0.12 0.00 0.03 0.00 0.00 46.19 44.08 3hty s LEU 59 CO 0.85 -0.31 0.30 -0.69 0.23 0.00 0.00 176.35 176.73 3hty s VAL 60 N 1.98 3.79 0.53 -1.59 1.01 0.11 -4.75 120.40 121.49 3hty s VAL 60 Ca 0.11 -2.00 -0.19 0.00 0.00 0.00 0.00 61.98 59.90 3hty s VAL 60 Cb -0.17 -3.53 -0.06 0.00 0.00 0.00 0.00 36.38 32.62 3hty s VAL 60 CO 0.11 -0.75 1.06 -0.31 0.00 0.00 0.00 175.10 175.21 3hty s TYR 61 N 1.14 2.94 0.00 5.22 2.02 -1.26 -0.94 117.35 126.47 3hty s TYR 61 Ca 0.08 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 3hty s TYR 61 Cb -0.24 -3.08 0.00 0.00 -0.40 0.00 0.00 41.96 38.24 3hty s TYR 61 CO -0.03 -1.04 0.00 0.39 -1.57 0.00 0.00 175.55 173.30 3hty n GLU 62 N -1.39 0.37 -3.79 -0.62 1.02 0.44 -4.21 120.64 112.46 3hty n GLU 62 Ca 0.09 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 3hty n GLU 62 Cb 0.52 -0.68 -0.05 0.00 -0.02 0.00 0.00 31.44 31.21 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 -2.95 -0.12 0.04 1.62 1.04 -1.01 -2.15 113.70 110.18 3hty s SER 63 Ca 0.00 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.86 3hty s SER 63 Cb 0.00 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.57 3hty s SER 63 CO 0.00 -0.91 -0.04 -1.66 0.98 0.00 0.00 173.24 171.61 3hty s TRP 64 N -3.88 0.50 -0.18 5.02 1.48 -0.38 -1.03 118.94 120.47 3hty s TRP 64 Ca 0.09 -0.78 -0.15 0.00 -1.06 0.00 0.00 56.10 54.20 3hty s TRP 64 Cb 0.02 -0.34 0.05 0.00 -1.16 0.00 0.00 33.47 32.04 3hty s TRP 64 CO -0.05 -0.24 0.46 0.21 -4.06 0.00 0.00 176.95 173.27 3hty s LYS 65 N -2.72 0.52 -0.13 3.25 2.20 -0.60 -4.69 119.74 117.57 3hty s LYS 65 Ca -0.03 0.70 0.03 0.00 -0.36 0.00 0.00 55.97 56.30 3hty s LYS 65 Cb -0.01 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.52 3hty s LYS 65 CO -0.05 -0.09 -0.22 -1.14 -0.36 0.00 0.00 175.35 173.50 3hty s GLN 66 N 0.51 3.06 -0.43 4.03 0.74 -1.26 -0.28 119.66 126.03 3hty s GLN 66 Ca -0.02 -0.85 0.02 0.00 0.05 0.00 0.00 55.36 54.56 3hty s GLN 66 Cb -0.04 -2.42 0.13 0.00 1.10 0.00 0.00 33.01 31.77 3hty s GLN 66 CO -0.03 0.05 0.21 -1.21 -0.55 0.00 0.00 175.29 173.76 3hty s GLU 67 N 0.68 1.35 7.72 1.67 2.02 -0.17 -5.01 118.70 126.96 3hty s GLU 67 Ca -0.10 -1.99 0.00 0.00 0.02 0.00 0.00 54.97 52.90 3hty s GLU 67 Cb -0.16 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.55 3hty s GLU 67 CO 0.01 -1.12 0.00 0.41 0.02 0.00 0.00 175.26 174.59 3hty n GLY 68 N 3.67 3.08 0.53 -1.39 0.00 -1.26 -1.26 105.19 108.57 3hty n GLY 68 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 0.15 -3.47 2.61 -2.24 -1.26 -4.85 114.28 105.21 3hty n THR 69 Ca 0.00 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.09 3hty n THR 69 Cb 0.00 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.85 4.25 -0.13 -0.78 1.02 -0.39 0.45 119.74 122.30 3hty s LYS 70 Ca 0.34 0.16 -0.01 0.00 0.02 0.00 0.00 55.97 56.48 3hty s LYS 70 Cb 0.19 -3.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 3hty s LYS 70 CO 0.29 0.16 -0.10 -1.17 -0.92 0.00 0.00 175.35 173.60 3hty s LEU 71 N 0.71 2.90 -0.20 3.17 2.96 -1.26 -1.00 118.68 125.95 3hty s LEU 71 Ca 0.18 -0.25 -0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3hty s LEU 71 Cb -0.14 -1.67 -0.00 0.00 0.50 0.00 0.00 46.19 44.88 3hty s LEU 71 CO 0.06 0.18 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.55 3hty s ILE 72 N 0.30 3.03 -0.06 6.68 1.09 0.62 -4.32 121.20 128.52 3hty s ILE 72 Ca -0.08 -0.62 0.04 0.00 -1.10 0.00 0.00 60.65 58.89 3hty s ILE 72 Cb -0.15 -2.35 -0.02 0.00 -1.06 0.00 0.00 42.46 38.88 3hty s ILE 72 CO 0.05 0.46 -0.17 -0.76 -0.10 0.00 0.00 174.94 174.42 3hty s LEU 73 N 1.34 2.57 0.21 2.97 1.43 0.67 -1.55 118.68 126.32 3hty s LEU 73 Ca 0.04 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 3hty s LEU 73 Cb -0.14 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.51 3hty s LEU 73 CO -0.05 0.29 -0.15 0.42 0.23 0.00 0.00 176.35 177.09 3hty s THR 74 N -0.41 1.80 -3.72 5.49 -4.23 -0.19 -0.42 115.64 113.96 3hty s THR 74 Ca 0.04 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.32 3hty s THR 74 Cb -0.12 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3hty s THR 74 CO 0.02 -0.58 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 3hty n GLY 75 N -0.40 -0.51 3.13 3.99 0.00 -1.14 -0.42 105.19 109.84 3hty n GLY 75 Ca -0.08 -0.96 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.49 0.71 -0.16 1.61 -2.85 -0.12 -0.19 119.74 117.27 3hty s LYS 76 Ca 0.00 -1.03 0.02 0.00 -1.00 0.00 0.00 55.97 53.96 3hty s LYS 76 Cb 0.00 -0.37 0.01 0.00 -2.06 0.00 0.00 37.83 35.41 3hty s LYS 76 CO 0.00 0.05 -0.21 0.45 0.10 0.00 0.00 175.35 175.74 3hty s SER 77 N -2.20 3.13 -0.29 0.03 0.15 -0.32 -0.71 113.70 113.50 3hty s SER 77 Ca 0.00 -0.62 -0.16 0.00 0.70 0.00 0.00 55.95 55.87 3hty s SER 77 Cb -0.04 -1.46 -0.03 0.00 -1.71 0.00 0.00 66.02 62.78 3hty s SER 77 CO -0.01 0.05 0.42 -0.63 1.20 0.00 0.00 173.24 174.27 3hty s ILE 78 N 1.00 5.12 0.00 6.45 1.01 -0.47 -1.78 121.20 132.54 3hty s ILE 78 Ca -0.02 0.50 0.00 0.00 0.00 0.00 0.00 60.65 61.13 3hty s ILE 78 Cb -0.15 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.53 3hty s ILE 78 CO -0.06 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.52 3hty n GLY 79 N 4.70 1.84 3.13 6.18 0.00 0.01 -4.79 105.19 116.26 3hty n GLY 79 Ca -0.07 -0.77 -0.23 0.00 0.00 0.00 0.00 46.02 44.96 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 -5.31 -0.31 1.61 3.02 -1.26 -1.31 115.26 111.70 3hty n ASN 80 Ca 0.00 -0.32 -0.04 0.00 -0.03 0.00 0.00 54.58 54.19 3hty n ASN 80 Cb 0.00 -4.31 -0.02 0.00 -0.61 0.00 0.00 39.78 34.84 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 -1.41 0.60 3.12 7.41 0.00 -1.26 -4.99 105.19 108.66 3hty n GLY 81 Ca -0.08 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.75 0.75 -0.19 1.61 0.00 -0.43 -5.13 119.66 114.51 3hty s GLN 82 Ca 0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 55.36 54.05 3hty s GLN 82 Cb 0.00 0.22 0.02 0.00 0.00 0.00 0.00 33.01 33.25 3hty s GLN 82 CO 0.00 -0.17 -0.17 0.99 0.00 0.00 0.00 175.29 175.93 3hty s THR 83 N -3.97 2.27 -0.11 3.63 2.01 -1.26 -0.81 115.64 117.39 3hty s THR 83 Ca 0.14 -0.91 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3hty s THR 83 Cb 0.08 -1.99 0.01 0.00 0.01 0.00 0.00 72.50 70.61 3hty s THR 83 CO -0.05 0.49 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.58 3hty s ILE 84 N 1.31 1.53 0.41 1.82 1.01 -0.73 -4.94 121.20 121.60 3hty s ILE 84 Ca 0.04 -0.66 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 3hty s ILE 84 Cb -0.14 -1.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 3hty s ILE 84 CO -0.11 0.45 1.14 -1.61 0.00 0.00 0.00 174.94 174.81 3hty s GLU 85 N 0.94 4.04 0.17 2.79 0.41 -1.26 -1.17 118.70 124.63 3hty s GLU 85 Ca -0.07 1.75 0.04 0.00 -0.41 0.00 0.00 54.97 56.28 3hty s GLU 85 Cb -0.15 -2.61 -0.05 0.00 -1.78 0.00 0.00 34.13 29.54 3hty s GLU 85 CO -0.01 -0.31 -0.08 -0.59 -0.49 0.00 0.00 175.26 173.79 3hty s PHE 86 N -1.48 1.36 -0.25 1.61 -0.12 0.74 -4.93 117.98 114.91 3hty s PHE 86 Ca 0.58 -0.80 -0.03 0.00 -0.05 0.00 0.00 56.93 56.63 3hty s PHE 86 Cb -0.28 -0.72 0.08 0.00 -0.63 0.00 0.00 43.02 41.47 3hty s PHE 86 CO 0.35 0.06 0.09 0.08 -0.05 0.00 0.00 175.22 175.76 3hty s VAL 87 N -3.34 0.29 -0.24 -2.49 1.01 -1.26 -2.86 120.40 111.51 3hty s VAL 87 Ca 0.20 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 3hty s VAL 87 Cb 0.03 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.28 3hty s VAL 87 CO 0.03 -0.52 0.12 -1.81 0.00 0.00 0.00 175.10 172.92 3hty s ASP 88 N 1.93 5.74 0.10 3.32 1.01 0.44 -4.97 116.67 124.25 3hty s ASP 88 Ca 0.06 0.00 0.06 0.00 0.71 0.00 0.00 52.55 53.38 3hty s ASP 88 Cb -0.17 -2.03 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 3hty s ASP 88 CO -0.23 0.04 -0.04 -0.89 0.21 0.00 0.00 175.17 174.26 3hty s THR 89 N 1.18 3.73 -0.04 -1.27 2.01 -1.26 -0.24 115.64 119.76 3hty s THR 89 Ca 0.06 -1.14 0.03 0.00 0.31 0.00 0.00 61.69 60.95 3hty s THR 89 Cb -0.14 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3hty s THR 89 CO 0.05 0.09 -0.14 -1.81 -0.69 0.00 0.00 174.62 172.12 3hty s ASP 91 N -2.33 1.78 -0.29 3.53 1.01 -0.58 -4.62 116.67 115.17 3hty s ASP 91 Ca 0.24 -0.29 -0.23 0.00 0.71 0.00 0.00 52.55 52.99 3hty s ASP 91 Cb -0.11 -0.53 -0.00 0.00 1.01 0.00 0.00 42.92 43.28 3hty s ASP 91 CO 0.17 0.11 0.75 -0.63 0.21 0.00 0.00 175.17 175.77 3hty s ILE 92 N 0.17 4.85 -0.15 0.77 1.01 0.17 -1.05 121.20 126.97 3hty s ILE 92 Ca -0.05 1.18 0.17 0.00 0.00 0.00 0.00 60.65 61.96 3hty s ILE 92 Cb -0.11 -4.09 -0.25 0.00 0.01 0.00 0.00 42.46 38.02 3hty s ILE 92 CO 0.02 -0.17 0.25 0.29 0.00 0.00 0.00 174.94 175.33 3hty n LYS 93 N 6.06 0.67 -3.78 2.79 4.76 0.14 -4.89 118.16 123.91 3hty n LYS 93 Ca 0.03 0.04 -0.13 0.00 -2.87 0.00 0.00 58.31 55.38 3hty n LYS 93 Cb 0.48 -1.58 -0.13 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.64 0.21 -0.26 1.97 6.06 -1.12 -4.95 118.95 118.22 3hty s ARG 94 Ca -0.08 0.34 -0.01 0.00 -2.50 0.00 0.00 55.73 53.47 3hty s ARG 94 Cb 0.07 0.03 0.14 0.00 0.06 0.00 0.00 34.95 35.25 3hty s ARG 94 CO 0.84 -0.07 0.39 -1.17 -2.50 0.00 0.00 175.30 172.78 3hty s LEU 95 N 0.48 -0.67 0.00 -0.88 2.96 -1.26 -1.45 118.68 117.85 3hty s LEU 95 Ca -0.03 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.87 3hty s LEU 95 Cb -0.04 1.09 -0.01 0.00 0.50 0.00 0.00 46.19 47.73 3hty s LEU 95 CO -0.02 -0.32 0.09 0.35 -1.32 0.00 0.00 176.35 175.13 3hty n THR 96 N 5.36 0.00 0.28 3.68 -2.24 -0.12 -4.40 114.28 116.83 3hty n THR 96 Ca -0.02 -2.02 0.13 0.00 -2.27 0.00 0.00 64.05 59.87 3hty n THR 96 Cb 0.50 0.64 0.79 0.00 -2.10 0.00 0.00 70.33 70.16 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 1.48 1.52 0.00 6.98 0.00 -1.94 -3.24 119.26 124.07 3hty h ALA 97 Ca -0.29 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hty h ALA 97 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hty h ALA 97 CO 0.47 0.07 -1.12 -0.25 0.00 0.00 0.00 179.25 178.41 3hty n ASP 98 N -3.91 2.23 -3.96 0.00 8.00 -1.26 -4.72 116.55 112.93 3hty n ASP 98 Ca -0.03 -0.20 -0.10 0.00 0.71 0.00 0.00 54.79 55.17 3hty n ASP 98 Cb 0.14 1.29 -0.12 0.00 -0.02 0.00 0.00 41.12 42.42 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 -2.68 0.21 -0.04 -2.24 0.01 -1.23 -1.35 113.70 106.38 3hty s SER 99 Ca -0.01 -0.39 -0.02 0.00 1.31 0.00 0.00 55.95 56.83 3hty s SER 99 Cb 0.06 0.08 0.03 0.00 0.21 0.00 0.00 66.02 66.40 3hty s SER 99 CO 0.37 -0.23 0.07 -0.22 0.41 0.00 0.00 173.24 173.64 3hty s LEU 100 N -1.14 0.20 -0.12 2.44 2.96 -0.70 -0.95 118.68 121.38 3hty s LEU 100 Ca -0.12 0.11 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3hty s LEU 100 Cb -0.08 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.54 3hty s LEU 100 CO -0.01 -0.24 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.87 3hty s VAL 101 N 2.07 2.15 0.06 1.68 1.01 -0.53 -0.26 120.40 126.59 3hty s VAL 101 Ca 0.03 -0.97 0.09 0.00 0.00 0.00 0.00 61.98 61.13 3hty s VAL 101 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3hty s VAL 101 CO -0.03 0.55 -0.25 -0.76 0.00 0.00 0.00 175.10 174.61 3hty s LEU 102 N 0.49 2.19 -0.30 3.92 1.43 0.33 -0.68 118.68 126.06 3hty s LEU 102 Ca -0.15 -0.59 -0.03 0.00 -1.03 0.00 0.00 54.13 52.33 3hty s LEU 102 Cb -0.17 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.93 3hty s LEU 102 CO 0.05 0.21 0.02 -0.62 0.23 0.00 0.00 176.35 176.24 3hty s ASP 103 N -1.35 4.94 -0.63 2.29 2.15 -0.21 -0.28 116.67 123.59 3hty s ASP 103 Ca 0.10 -1.20 -0.06 0.00 0.43 0.00 0.00 52.55 51.83 3hty s ASP 103 Cb -0.10 -1.74 0.16 0.00 -0.30 0.00 0.00 42.92 40.94 3hty s ASP 103 CO 0.03 -0.26 0.47 0.21 -0.17 0.00 0.00 175.17 175.45 3hty s ASN 104 N 1.29 5.59 -1.54 -0.34 2.47 -1.26 -1.53 114.94 119.63 3hty s ASN 104 Ca -0.04 -2.64 -0.14 0.00 0.42 0.00 0.00 52.86 50.46 3hty s ASN 104 Cb -0.19 -1.94 0.09 0.00 -1.45 0.00 0.00 41.25 37.75 3hty s ASN 104 CO -0.00 -0.46 0.98 0.00 -3.72 0.00 0.00 177.10 173.89 3hty n GLN 105 N 3.85 -5.49 -0.22 0.43 6.02 -1.26 -4.77 117.38 115.93 3hty n GLN 105 Ca 0.06 0.59 0.00 0.00 -0.01 0.00 0.00 57.00 57.64 3hty n GLN 105 Cb 0.40 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.18 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 -1.69 0.91 3.45 1.08 0.00 -1.26 -5.24 105.19 102.44 3hty n GLY 106 Ca 0.04 -0.75 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.15 0.61 -0.17 1.61 2.12 -1.26 -5.10 118.70 114.37 3hty s GLU 108 Ca 0.00 0.85 0.01 0.00 0.36 0.00 0.00 54.97 56.19 3hty s GLU 108 Cb 0.00 0.22 0.01 0.00 0.26 0.00 0.00 34.13 34.62 3hty s GLU 108 CO 0.00 -0.11 -0.18 0.42 -0.54 0.00 0.00 175.26 174.86 3hty s ILE 109 N 0.74 2.31 -0.28 -3.70 1.01 0.62 -4.98 121.20 116.92 3hty s ILE 109 Ca -0.04 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.70 3hty s ILE 109 Cb -0.05 -1.97 0.02 0.00 0.01 0.00 0.00 42.46 40.47 3hty s ILE 109 CO -0.05 0.52 0.02 -0.60 0.00 0.00 0.00 174.94 174.83 3hty s ARG 110 N 1.12 2.85 0.08 2.79 3.52 -1.26 -0.51 118.95 127.53 3hty s ARG 110 Ca 0.01 -1.00 0.06 0.00 -0.13 0.00 0.00 55.73 54.67 3hty s ARG 110 Cb -0.14 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3hty s ARG 110 CO -0.07 -0.48 -0.09 0.71 -0.81 0.00 0.00 175.30 174.56 3hty s TYR 111 N 1.39 2.77 0.05 5.12 2.02 0.64 -4.62 117.35 124.72 3hty s TYR 111 Ca 0.00 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 3hty s TYR 111 Cb -0.18 -1.47 -0.04 0.00 -0.40 0.00 0.00 41.96 39.88 3hty s TYR 111 CO -0.01 0.41 -0.08 0.00 -1.57 0.00 0.00 175.55 174.30 3hty s ALA 112 N -1.17 2.98 0.08 3.71 0.00 0.19 -1.72 121.76 125.83 3hty s ALA 112 Ca 0.21 -1.13 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 3hty s ALA 112 Cb -0.11 -1.01 -0.07 0.00 0.00 0.00 0.00 23.12 21.92 3hty s ALA 112 CO 0.13 0.63 1.37 0.21 0.00 0.00 0.00 175.76 178.09 3hty s LYS 113 N -1.78 4.33 -0.40 0.00 2.47 -0.46 -0.70 119.74 123.20 3hty s LYS 113 Ca 0.19 2.01 -0.26 0.00 -1.56 0.00 0.00 55.97 56.35 3hty s LYS 113 Cb -0.11 -3.34 0.02 0.00 -1.46 0.00 0.00 37.83 32.94 3hty s LYS 113 CO 0.11 -0.45 0.95 -1.14 0.16 0.00 0.00 175.35 174.98 3hty s GLN 114 N 1.39 3.77 0.00 4.03 0.74 0.90 -4.91 119.66 125.59 3hty s GLN 114 Ca 0.64 0.50 0.18 0.00 0.05 0.00 0.00 55.36 56.73 3hty s GLN 114 Cb -0.35 -3.84 1.05 0.00 1.10 0.00 0.00 33.01 30.97 3hty s GLN 114 CO 0.29 -1.05 1.45 0.36 -0.55 0.00 0.00 175.29 175.79