#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 3.49 0.25 4.61 0.00 -1.26 -5.01 121.76 123.83 3hty s ALA 23 Ca 0.00 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 52.95 3hty s ALA 23 Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3hty s ALA 23 CO 0.00 -0.54 0.73 0.45 0.00 0.00 0.00 175.76 176.40 3hty s SER 24 N -0.39 7.00 0.00 0.00 0.15 -1.26 -4.90 113.70 114.30 3hty s SER 24 Ca 0.50 1.40 0.29 0.00 0.70 0.00 0.00 55.95 58.84 3hty s SER 24 Cb -0.38 -2.41 1.36 0.00 -1.71 0.00 0.00 66.02 62.87 3hty s SER 24 CO 0.48 -0.02 1.96 0.00 1.20 0.00 0.00 173.24 176.86 3hty n ILE 25 N 0.48 0.00 -2.13 6.45 3.06 -1.26 -4.83 119.36 121.14 3hty n ILE 25 Ca -0.01 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.81 3hty n ILE 25 Cb 0.51 -0.37 -0.03 0.00 0.54 0.00 0.00 39.64 40.30 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 -2.64 3.40 -5.00 9.51 1.01 -1.26 -4.87 120.40 120.55 3hty s VAL 26 Ca 0.25 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.11 3hty s VAL 26 Cb 0.20 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 33.01 3hty s VAL 26 CO 0.49 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3hty n GLY 27 N 3.70 -1.00 3.47 4.51 0.00 -1.26 -5.03 105.19 109.58 3hty n GLY 27 Ca 0.13 -1.45 -0.36 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.88 5.19 -0.15 1.61 0.01 -1.26 -4.34 113.70 111.88 3hty s SER 28 Ca 0.00 -0.18 0.01 0.00 1.31 0.00 0.00 55.95 57.09 3hty s SER 28 Cb 0.00 -1.93 -0.00 0.00 0.21 0.00 0.00 66.02 64.30 3hty s SER 28 CO 0.00 -0.01 -0.17 0.26 0.41 0.00 0.00 173.24 173.73 3hty s TRP 29 N 1.50 2.75 0.07 2.43 0.52 0.09 -0.85 118.94 125.45 3hty s TRP 29 Ca 0.06 -1.06 0.02 0.00 0.02 0.00 0.00 56.10 55.13 3hty s TRP 29 Cb -0.15 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.28 3hty s TRP 29 CO 0.04 -0.47 -0.07 0.14 0.02 0.00 0.00 176.95 176.61 3hty s VAL 30 N 0.74 0.59 0.12 4.03 -7.23 -0.55 -0.72 120.40 117.37 3hty s VAL 30 Ca -0.07 -1.55 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 3hty s VAL 30 Cb -0.16 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.55 3hty s VAL 30 CO 0.01 -0.67 -0.07 -1.83 -0.31 0.00 0.00 175.10 172.23 3hty s GLU 31 N -2.85 0.91 0.64 4.82 -1.05 0.32 -0.98 118.70 120.50 3hty s GLU 31 Ca 0.02 -1.38 -0.18 0.00 -0.15 0.00 0.00 54.97 53.28 3hty s GLU 31 Cb -0.01 -0.31 -0.02 0.00 -0.44 0.00 0.00 34.13 33.35 3hty s GLU 31 CO -0.03 -0.00 1.25 -2.14 0.95 0.00 0.00 175.26 175.29 3hty s PRO 32 N -3.82 2.67 -0.22 -4.83 0.02 -1.26 -0.92 135.00 126.64 3hty s PRO 32 Ca 0.14 1.94 -0.29 0.00 0.02 0.00 0.00 61.00 62.81 3hty s PRO 32 Cb 0.05 -1.88 0.01 0.00 0.02 0.00 0.00 34.50 32.70 3hty s PRO 32 CO -0.03 -1.47 1.03 0.08 -0.33 0.00 0.00 177.00 176.28 3hty s VAL 33 N -1.53 4.69 0.12 3.83 1.01 -0.66 -4.70 120.40 123.15 3hty s VAL 33 Ca 0.80 2.01 -0.34 0.00 0.00 0.00 0.00 61.98 64.45 3hty s VAL 33 Cb -0.34 -4.30 -0.14 0.00 0.00 0.00 0.00 36.38 31.60 3hty s VAL 33 CO 0.38 -0.16 1.61 -2.65 0.00 0.00 0.00 175.10 174.27 3hty n PRO 34 N 6.22 2.08 0.00 2.72 -0.02 -1.26 -1.30 135.00 143.43 3hty n PRO 34 Ca 0.12 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hty n PRO 34 Cb 0.46 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 3.50 2.42 2.63 -1.23 0.00 -1.26 -4.95 105.19 106.30 3hty n GLY 35 Ca 0.18 0.00 -0.28 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 2.73 0.17 0.99 1.43 -0.42 -5.04 118.68 118.54 3hty s LEU 36 Ca 0.00 -3.14 -0.11 0.00 -1.03 0.00 0.00 54.13 49.85 3hty s LEU 36 Cb 0.00 -0.94 0.21 0.00 0.03 0.00 0.00 46.19 45.48 3hty s LEU 36 CO 0.00 -0.18 1.10 -0.62 0.23 0.00 0.00 176.35 176.88 3hty n GLU 37 N 2.82 -0.14 -0.03 1.70 1.02 -1.26 -1.95 120.64 122.80 3hty n GLU 37 Ca 0.20 1.09 0.13 0.00 -0.02 0.00 0.00 57.16 58.57 3hty n GLU 37 Cb 0.40 -1.62 0.53 0.00 -0.02 0.00 0.00 31.44 30.73 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hty n GLY 38 N -1.36 -0.12 3.85 0.62 0.00 -1.26 -4.80 105.19 102.12 3hty n GLY 38 Ca 0.08 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.93 3.00 0.14 1.61 1.11 -0.82 -5.05 119.66 117.72 3hty s GLN 39 Ca 0.37 -1.02 0.06 0.00 0.01 0.00 0.00 55.36 54.78 3hty s GLN 39 Cb 0.19 -2.62 -0.04 0.00 -1.01 0.00 0.00 33.01 29.54 3hty s GLN 39 CO 0.31 0.38 -0.13 0.14 0.01 0.00 0.00 175.29 175.99 3hty s VAL 40 N -2.12 1.38 0.07 1.09 -7.23 -1.26 -1.66 120.40 110.67 3hty s VAL 40 Ca 0.34 -1.87 -0.12 0.00 -1.81 0.00 0.00 61.98 58.52 3hty s VAL 40 Cb -0.08 -1.69 0.01 0.00 0.56 0.00 0.00 36.38 35.19 3hty s VAL 40 CO 0.26 -0.51 0.27 0.00 -0.31 0.00 0.00 175.10 174.81 3hty s GLN 41 N -3.04 0.85 0.00 4.82 -2.07 -0.10 -4.76 119.66 115.35 3hty s GLN 41 Ca 0.13 -0.70 0.00 0.00 -1.82 0.00 0.00 55.36 52.97 3hty s GLN 41 Cb -0.03 0.36 0.00 0.00 -1.09 0.00 0.00 33.01 32.25 3hty s GLN 41 CO 0.03 -0.28 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 3hty n GLY 42 N 0.26 -0.76 2.89 2.60 0.00 -0.57 -0.52 105.19 109.09 3hty n GLY 42 Ca -0.17 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 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 0.25 0.57 -0.61 2.07 0.10 -0.41 121.20 119.17 3hty s ILE 43 Ca 0.00 -0.06 0.08 0.00 -1.41 0.00 0.00 60.65 59.25 3hty s ILE 43 Cb 0.00 -0.27 0.08 0.00 0.13 0.00 0.00 42.46 42.40 3hty s ILE 43 CO 0.00 0.11 0.63 1.17 -1.91 0.00 0.00 174.94 174.94 3hty n LYS 44 N 3.46 0.64 -3.57 3.50 4.81 0.35 -0.73 118.16 126.61 3hty n LYS 44 Ca -0.18 -3.25 -0.08 0.00 -0.87 0.00 0.00 58.31 53.93 3hty n LYS 44 Cb 0.55 0.02 -0.03 0.00 0.02 0.00 0.00 35.03 35.59 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 0.52 0.30 1.64 2.02 -0.20 -1.17 118.70 117.34 3hty s GLU 46 Ca 0.48 -0.04 -0.30 0.00 0.02 0.00 0.00 54.97 55.13 3hty s GLU 46 Cb -0.04 0.24 -0.11 0.00 0.10 0.00 0.00 34.13 34.32 3hty s GLU 46 CO 0.31 -0.20 1.59 -2.00 0.02 0.00 0.00 175.26 174.98 3hty s GLU 47 N -1.91 4.12 0.00 1.61 -6.30 -1.26 -2.09 118.70 112.86 3hty s GLU 47 Ca 0.04 2.58 0.00 0.00 -2.50 0.00 0.00 54.97 55.09 3hty s GLU 47 Cb -0.01 -3.02 0.00 0.00 0.00 0.00 0.00 34.13 31.10 3hty s GLU 47 CO -0.04 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.02 3hty n GLY 48 N 2.10 2.30 0.00 -1.50 0.00 -1.26 -4.61 105.19 102.23 3hty n GLY 48 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -1.11 0.42 3.74 -0.02 0.00 -0.89 -5.04 105.19 102.29 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 3.67 0.12 1.61 1.01 -1.25 -0.90 120.40 122.67 3hty s VAL 50 Ca 0.00 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.49 3hty s VAL 50 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.43 3hty s VAL 50 CO 0.00 0.24 -0.18 0.00 0.00 0.00 0.00 175.10 175.16 3hty s ALA 51 N -0.17 1.74 0.03 5.51 0.00 -0.80 -1.03 121.76 127.04 3hty s ALA 51 Ca 0.51 -1.31 -0.09 0.00 0.00 0.00 0.00 51.96 51.07 3hty s ALA 51 Cb -0.31 -0.17 0.00 0.00 0.00 0.00 0.00 23.12 22.64 3hty s ALA 51 CO 0.36 0.25 0.19 -1.54 0.00 0.00 0.00 175.76 175.02 3hty s SER 52 N -2.24 0.02 0.38 0.00 1.04 -0.32 -3.19 113.70 109.40 3hty s SER 52 Ca 0.09 -0.31 -0.24 0.00 0.48 0.00 0.00 55.95 55.97 3hty s SER 52 Cb -0.08 0.27 -0.10 0.00 0.10 0.00 0.00 66.02 66.22 3hty s SER 52 CO 0.05 -0.51 0.98 -0.44 0.98 0.00 0.00 173.24 174.29 3hty s SER 53 N -1.89 7.01 -0.33 7.02 0.01 -1.26 -0.50 113.70 123.76 3hty s SER 53 Ca -0.08 1.85 -0.05 0.00 1.31 0.00 0.00 55.95 58.99 3hty s SER 53 Cb -0.03 -2.57 0.05 0.00 0.21 0.00 0.00 66.02 63.68 3hty s SER 53 CO -0.02 -0.30 0.08 -0.69 0.41 0.00 0.00 173.24 172.71 3hty s VAL 54 N -1.81 3.52 -0.49 3.43 1.01 0.46 -4.80 120.40 121.72 3hty s VAL 54 Ca 0.57 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.21 3hty s VAL 54 Cb -0.17 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.20 3hty s VAL 54 CO 0.21 -0.18 0.57 0.59 0.00 0.00 0.00 175.10 176.29 3hty n ASN 55 N 4.75 -7.25 0.02 3.32 3.02 -1.26 -1.51 115.26 116.35 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 -4.89 0.00 0.00 -0.61 0.00 0.00 39.78 34.72 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 -0.86 1.33 -0.01 5.41 0.00 -1.26 -4.91 120.51 120.20 3hty n ALA 57 Ca 0.06 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.33 3hty n ALA 57 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 1.37 -3.45 0.00 2.02 -1.95 -3.41 112.91 107.49 3hty h THR 58 Ca 0.00 -1.95 -0.66 0.00 0.77 0.00 0.00 66.41 64.57 3hty h THR 58 Cb 0.00 2.31 -0.15 0.00 -1.74 0.00 0.00 68.15 68.57 3hty h THR 58 CO 0.00 0.59 0.17 -0.22 0.37 0.00 0.00 175.52 176.43 3hty s LEU 59 N -8.45 4.56 -0.36 2.58 2.96 -1.26 -0.90 118.68 117.81 3hty s LEU 59 Ca -0.12 -0.48 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3hty s LEU 59 Cb 0.05 -2.68 0.09 0.00 0.50 0.00 0.00 46.19 44.16 3hty s LEU 59 CO 0.84 -0.87 0.10 -0.69 -1.32 0.00 0.00 176.35 174.41 3hty s VAL 60 N 2.94 2.89 0.49 1.68 1.01 0.33 -4.79 120.40 124.95 3hty s VAL 60 Ca 0.22 -1.95 -0.19 0.00 0.00 0.00 0.00 61.98 60.06 3hty s VAL 60 Cb -0.15 -2.93 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 3hty s VAL 60 CO 0.17 -0.49 0.99 -0.31 0.00 0.00 0.00 175.10 175.46 3hty s TYR 61 N 1.10 3.26 0.00 5.22 2.02 -1.26 -0.55 117.35 127.13 3hty s TYR 61 Ca 0.05 1.55 0.00 0.00 -0.37 0.00 0.00 57.07 58.30 3hty s TYR 61 Cb -0.21 -2.89 0.00 0.00 -0.40 0.00 0.00 41.96 38.46 3hty s TYR 61 CO -0.04 -0.45 0.00 0.39 -1.57 0.00 0.00 175.55 173.88 3hty n GLU 62 N -1.17 0.88 -3.69 -0.62 1.02 0.24 -4.17 120.64 113.13 3hty n GLU 62 Ca 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.11 3hty n GLU 62 Cb 0.54 -0.70 -0.04 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 -2.52 -0.22 0.04 1.62 1.04 -0.90 -1.90 113.70 110.86 3hty s SER 63 Ca 0.00 -0.41 -0.00 0.00 0.48 0.00 0.00 55.95 56.02 3hty s SER 63 Cb 0.00 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3hty s SER 63 CO 0.00 -0.92 -0.03 -1.66 0.98 0.00 0.00 173.24 171.61 3hty s TRP 64 N -3.84 0.45 -0.27 5.02 1.48 -0.08 -1.53 118.94 120.17 3hty s TRP 64 Ca 0.06 -0.82 -0.21 0.00 -1.06 0.00 0.00 56.10 54.07 3hty s TRP 64 Cb 0.01 -0.32 0.07 0.00 -1.16 0.00 0.00 33.47 32.07 3hty s TRP 64 CO -0.08 -0.28 0.69 0.21 -4.06 0.00 0.00 176.95 173.43 3hty s LYS 65 N -2.82 0.77 -0.06 3.25 2.20 -0.46 -4.60 119.74 118.02 3hty s LYS 65 Ca -0.03 1.06 -0.15 0.00 -0.36 0.00 0.00 55.97 56.49 3hty s LYS 65 Cb -0.00 0.30 -0.05 0.00 -1.51 0.00 0.00 37.83 36.57 3hty s LYS 65 CO -0.06 -0.12 0.41 -0.65 -0.36 0.00 0.00 175.35 174.57 3hty s GLN 66 N 0.84 4.08 -0.03 4.03 -0.21 -1.26 -0.30 119.66 126.81 3hty s GLN 66 Ca -0.04 0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.71 3hty s GLN 66 Cb -0.05 -3.31 0.03 0.00 1.00 0.00 0.00 33.01 30.68 3hty s GLN 66 CO -0.07 0.48 0.04 -1.21 -2.12 0.00 0.00 175.29 172.42 3hty s GLU 67 N -0.38 -0.06 6.92 2.91 2.02 -0.61 -4.98 118.70 124.52 3hty s GLU 67 Ca 0.23 0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.50 3hty s GLU 67 Cb -0.16 -0.38 0.00 0.00 0.10 0.00 0.00 34.13 33.70 3hty s GLU 67 CO 0.11 -0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.55 3hty n GLY 68 N 4.73 3.18 1.77 -1.39 0.00 -1.26 -0.32 105.19 111.90 3hty n GLY 68 Ca -0.16 -0.26 0.07 0.00 0.00 0.00 0.00 46.02 45.68 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 2.69 -4.02 2.61 -2.24 -1.26 -4.97 114.28 107.08 3hty n THR 69 Ca 0.00 -1.46 -0.22 0.00 -2.27 0.00 0.00 64.05 60.11 3hty n THR 69 Cb 0.00 -0.26 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 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 -2.74 2.88 -0.12 -0.78 1.02 0.56 -1.23 119.74 119.33 3hty s LYS 70 Ca 0.53 -1.12 0.01 0.00 0.02 0.00 0.00 55.97 55.42 3hty s LYS 70 Cb 0.41 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 35.19 3hty s LYS 70 CO 0.16 0.31 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.57 3hty s LEU 71 N -3.89 1.76 -0.26 3.17 2.96 -1.26 -1.58 118.68 119.58 3hty s LEU 71 Ca 0.35 -0.47 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 3hty s LEU 71 Cb -0.07 -1.16 -0.03 0.00 0.50 0.00 0.00 46.19 45.42 3hty s LEU 71 CO 0.26 0.01 0.12 -0.63 -1.32 0.00 0.00 176.35 174.78 3hty s ILE 72 N 1.09 4.68 -0.13 6.68 -1.09 0.59 -4.29 121.20 128.73 3hty s ILE 72 Ca -0.04 -0.07 0.01 0.00 -2.23 0.00 0.00 60.65 58.32 3hty s ILE 72 Cb -0.14 -3.22 -0.01 0.00 -1.58 0.00 0.00 42.46 37.51 3hty s ILE 72 CO -0.04 0.29 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.03 3hty s LEU 73 N 1.67 2.46 0.14 2.97 1.43 0.37 -1.35 118.68 126.37 3hty s LEU 73 Ca 0.06 -0.43 0.10 0.00 -1.03 0.00 0.00 54.13 52.83 3hty s LEU 73 Cb -0.16 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.49 3hty s LEU 73 CO 0.06 0.15 -0.19 0.42 0.23 0.00 0.00 176.35 177.02 3hty s THR 74 N 0.45 2.72 -0.68 5.49 -4.23 -0.58 -0.01 115.64 118.80 3hty s THR 74 Ca -0.12 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.72 3hty s THR 74 Cb -0.16 -2.27 0.00 0.00 1.34 0.00 0.00 72.50 71.40 3hty s THR 74 CO 0.05 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.77 3hty n GLY 75 N 0.59 -0.70 2.98 3.99 0.00 -0.92 -0.60 105.19 110.53 3hty n GLY 75 Ca -0.15 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.27 0.31 -0.22 1.61 1.02 0.28 -1.30 119.74 121.17 3hty s LYS 76 Ca 0.00 -0.49 -0.07 0.00 0.02 0.00 0.00 55.97 55.43 3hty s LYS 76 Cb 0.00 -0.05 -0.03 0.00 -0.52 0.00 0.00 37.83 37.23 3hty s LYS 76 CO 0.00 -0.00 0.05 0.45 -0.92 0.00 0.00 175.35 174.92 3hty s SER 77 N -1.10 5.10 -0.08 2.83 0.15 -0.10 -0.52 113.70 119.99 3hty s SER 77 Ca -0.10 -0.17 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3hty s SER 77 Cb -0.07 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.35 3hty s SER 77 CO -0.00 0.03 -0.15 -0.63 1.20 0.00 0.00 173.24 173.68 3hty s ILE 78 N 1.24 1.37 -0.28 6.45 1.01 -0.07 -0.88 121.20 130.02 3hty s ILE 78 Ca 0.04 -0.61 -0.33 0.00 0.00 0.00 0.00 60.65 59.75 3hty s ILE 78 Cb -0.15 -1.23 0.18 0.00 0.01 0.00 0.00 42.46 41.27 3hty s ILE 78 CO 0.03 0.41 1.37 -0.83 0.00 0.00 0.00 174.94 175.91 3hty s GLY 79 N 0.66 -0.04 -1.46 6.18 0.00 -0.60 -4.41 107.32 107.65 3hty s GLY 79 Ca -0.14 2.41 -0.08 0.00 0.00 0.00 0.00 44.72 46.91 3hty s GLY 79 CO 0.04 0.89 0.90 -2.01 0.00 0.00 0.00 173.10 172.92 3hty n ASN 80 N 0.27 -5.89 -0.94 1.64 5.15 -1.26 -1.98 115.26 112.25 3hty n ASN 80 Ca 0.02 -0.47 -0.12 0.00 -0.60 0.00 0.00 54.58 53.41 3hty n ASN 80 Cb 0.58 -4.70 -0.05 0.00 -0.53 0.00 0.00 39.78 35.08 3hty n ASN 80 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hty n GLY 81 N -1.73 1.32 3.10 8.20 0.00 -1.26 -5.01 105.19 109.81 3hty n GLY 81 Ca -0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 3hty n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hty s GLN 82 N -3.02 0.64 -0.04 1.61 0.74 -0.84 -5.16 119.66 113.59 3hty s GLN 82 Ca 0.00 -0.95 0.03 0.00 0.05 0.00 0.00 55.36 54.49 3hty s GLN 82 Cb 0.00 -0.30 0.00 0.00 1.10 0.00 0.00 33.01 33.82 3hty s GLN 82 CO 0.00 0.04 -0.13 0.99 -0.55 0.00 0.00 175.29 175.64 3hty s THR 83 N -2.07 1.10 -0.12 -0.34 2.01 -1.26 -1.56 115.64 113.40 3hty s THR 83 Ca -0.03 -0.51 0.00 0.00 0.31 0.00 0.00 61.69 61.47 3hty s THR 83 Cb -0.05 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.50 3hty s THR 83 CO -0.01 0.33 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.51 3hty s ILE 84 N 0.31 1.25 0.41 1.82 1.01 -0.06 -4.98 121.20 120.96 3hty s ILE 84 Ca -0.07 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 59.89 3hty s ILE 84 Cb -0.12 -1.21 -0.09 0.00 0.01 0.00 0.00 42.46 41.06 3hty s ILE 84 CO 0.02 0.40 1.06 -1.61 0.00 0.00 0.00 174.94 174.82 3hty s GLU 85 N 1.43 4.10 0.06 2.79 0.41 -1.26 -0.92 118.70 125.31 3hty s GLU 85 Ca 0.01 1.54 0.01 0.00 -0.41 0.00 0.00 54.97 56.12 3hty s GLU 85 Cb -0.13 -2.51 -0.03 0.00 -1.78 0.00 0.00 34.13 29.68 3hty s GLU 85 CO -0.07 -0.20 -0.06 -0.59 -0.49 0.00 0.00 175.26 173.85 3hty s PHE 86 N -1.66 0.65 -0.19 1.61 -0.12 -0.42 -4.92 117.98 112.93 3hty s PHE 86 Ca 0.59 -0.76 -0.02 0.00 -0.05 0.00 0.00 56.93 56.68 3hty s PHE 86 Cb -0.23 -0.41 0.06 0.00 -0.63 0.00 0.00 43.02 41.82 3hty s PHE 86 CO 0.28 -0.18 0.02 0.08 -0.05 0.00 0.00 175.22 175.37 3hty s VAL 87 N -2.68 0.63 -0.09 -2.49 1.01 -1.26 -2.16 120.40 113.37 3hty s VAL 87 Ca 0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3hty s VAL 87 Cb -0.01 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3hty s VAL 87 CO -0.04 -0.18 0.01 -1.81 0.00 0.00 0.00 175.10 173.09 3hty s ASP 88 N 1.81 5.32 0.31 3.32 1.01 0.99 -4.96 116.67 124.47 3hty s ASP 88 Ca -0.01 0.17 0.11 0.00 0.71 0.00 0.00 52.55 53.52 3hty s ASP 88 Cb -0.17 -1.52 -0.05 0.00 1.01 0.00 0.00 42.92 42.19 3hty s ASP 88 CO -0.08 0.38 -0.11 -0.89 0.21 0.00 0.00 175.17 174.68 3hty s THR 89 N -0.89 2.54 -0.03 -1.27 2.01 -1.26 -0.48 115.64 116.27 3hty s THR 89 Ca 0.13 -2.22 0.07 0.00 0.31 0.00 0.00 61.69 59.98 3hty s THR 89 Cb -0.11 -2.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 3hty s THR 89 CO 0.02 -0.31 -0.24 -1.81 -0.69 0.00 0.00 174.62 171.59 3hty s ASP 91 N -3.59 2.89 -0.42 3.53 1.01 -0.29 -4.71 116.67 115.09 3hty s ASP 91 Ca 0.32 -0.46 -0.22 0.00 0.71 0.00 0.00 52.55 52.90 3hty s ASP 91 Cb -0.02 -0.47 0.02 0.00 1.01 0.00 0.00 42.92 43.46 3hty s ASP 91 CO 0.17 0.28 0.71 -0.63 0.21 0.00 0.00 175.17 175.91 3hty s ILE 92 N -0.44 4.76 0.03 0.77 1.01 -0.36 -0.69 121.20 126.27 3hty s ILE 92 Ca 0.05 0.40 0.08 0.00 0.00 0.00 0.00 60.65 61.19 3hty s ILE 92 Cb -0.11 -4.23 -0.23 0.00 0.01 0.00 0.00 42.46 37.91 3hty s ILE 92 CO 0.00 -0.58 0.96 0.07 0.00 0.00 0.00 174.94 175.40 3hty h LYS 93 N 8.80 0.04 -2.44 2.79 5.09 -0.67 -3.48 116.57 126.71 3hty h LYS 93 Ca -0.25 -0.07 -0.08 0.00 0.09 0.00 0.00 60.65 60.34 3hty h LYS 93 Cb 1.09 0.02 -0.23 0.00 0.10 0.00 0.00 32.23 33.22 3hty h LYS 93 CO 0.91 0.81 -0.11 0.50 -2.09 0.00 0.00 179.45 179.47 3hty s ARG 94 N -2.65 0.60 -0.25 0.07 3.52 -1.08 -4.94 118.95 114.23 3hty s ARG 94 Ca -0.03 0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 56.33 3hty s ARG 94 Cb 0.09 0.25 0.12 0.00 -1.56 0.00 0.00 34.95 33.85 3hty s ARG 94 CO 0.83 -0.09 0.28 -1.17 -0.81 0.00 0.00 175.30 174.34 3hty s LEU 95 N 0.50 -0.26 0.00 -0.88 2.96 -1.26 -1.07 118.68 118.68 3hty s LEU 95 Ca -0.02 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 3hty s LEU 95 Cb -0.04 0.57 -0.00 0.00 0.50 0.00 0.00 46.19 47.21 3hty s LEU 95 CO -0.02 -0.35 0.02 0.35 -1.32 0.00 0.00 176.35 175.02 3hty n THR 96 N 5.32 0.00 0.27 3.68 -2.24 0.05 -4.62 114.28 116.74 3hty n THR 96 Ca -0.04 -0.57 0.13 0.00 -2.27 0.00 0.00 64.05 61.30 3hty n THR 96 Cb 0.48 0.16 0.76 0.00 -2.10 0.00 0.00 70.33 69.63 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 1.11 1.42 0.00 6.98 0.00 -1.94 -3.30 119.26 123.53 3hty h ALA 97 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hty h ALA 97 Cb 0.30 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hty h ALA 97 CO 0.14 0.11 -0.23 -0.25 0.00 0.00 0.00 179.25 179.02 3hty n ASP 98 N -3.80 0.88 -3.96 0.00 8.00 -1.26 -4.78 116.55 111.62 3hty n ASP 98 Ca -0.02 -0.44 -0.11 0.00 0.71 0.00 0.00 54.79 54.93 3hty n ASP 98 Cb 0.19 1.01 -0.12 0.00 -0.02 0.00 0.00 41.12 42.17 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 -1.29 0.31 -0.12 -2.24 0.01 -1.24 -1.36 113.70 107.77 3hty s SER 99 Ca 0.00 -0.35 -0.02 0.00 1.31 0.00 0.00 55.95 56.90 3hty s SER 99 Cb 0.01 0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.33 3hty s SER 99 CO 0.05 -0.18 0.01 -0.22 0.41 0.00 0.00 173.24 173.31 3hty s LEU 100 N -0.99 0.87 -0.22 2.44 2.96 -0.89 -0.77 118.68 122.07 3hty s LEU 100 Ca -0.09 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.38 3hty s LEU 100 Cb -0.07 -0.53 -0.00 0.00 0.50 0.00 0.00 46.19 46.09 3hty s LEU 100 CO -0.00 -0.23 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.06 3hty s VAL 101 N 1.91 3.28 -0.04 1.68 1.01 -0.24 -0.53 120.40 127.47 3hty s VAL 101 Ca 0.03 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3hty s VAL 101 Cb -0.14 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3hty s VAL 101 CO -0.07 0.39 -0.05 -0.76 0.00 0.00 0.00 175.10 174.62 3hty s LEU 102 N 1.45 3.29 -0.27 3.92 1.43 -0.56 0.08 118.68 128.03 3hty s LEU 102 Ca 0.05 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.15 3hty s LEU 102 Cb -0.15 -1.80 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3hty s LEU 102 CO -0.04 0.33 -0.09 -0.62 0.23 0.00 0.00 176.35 176.17 3hty s ASP 103 N -1.09 4.50 -0.77 2.29 -1.08 0.13 -1.12 116.67 119.52 3hty s ASP 103 Ca 0.15 -1.34 -0.10 0.00 -0.52 0.00 0.00 52.55 50.74 3hty s ASP 103 Cb -0.11 -1.58 0.20 0.00 -1.46 0.00 0.00 42.92 39.97 3hty s ASP 103 CO 0.04 -0.20 0.67 0.21 0.52 0.00 0.00 175.17 176.42 3hty s ASN 104 N 1.14 6.29 -1.32 -0.34 2.47 -1.26 -1.14 114.94 120.78 3hty s ASN 104 Ca -0.08 -2.77 -0.09 0.00 0.42 0.00 0.00 52.86 50.35 3hty s ASN 104 Cb -0.20 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.51 3hty s ASN 104 CO -0.04 -0.50 0.53 1.67 -3.72 0.00 0.00 177.10 175.03 3hty n GLN 105 N 3.79 -2.38 -0.36 0.43 -0.06 -1.26 -4.78 117.38 112.77 3hty n GLN 105 Ca 0.12 0.38 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 3hty n GLN 105 Cb 0.44 -4.22 0.00 0.00 -4.06 0.00 0.00 30.24 22.40 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hty n GLY 106 N -1.93 0.84 3.64 1.69 0.00 -1.26 -5.23 105.19 102.94 3hty n GLY 106 Ca -0.23 -0.60 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.86 0.47 -0.06 1.61 2.12 -1.26 -5.09 118.70 114.62 3hty s GLU 108 Ca 0.00 0.59 0.00 0.00 0.36 0.00 0.00 54.97 55.92 3hty s GLU 108 Cb 0.00 0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.63 3hty s GLU 108 CO 0.00 -0.06 -0.04 -1.50 -0.54 0.00 0.00 175.26 173.12 3hty s ILE 109 N 0.36 0.56 -0.26 -3.70 2.07 -0.27 -5.00 121.20 114.96 3hty s ILE 109 Ca 0.02 -0.07 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 3hty s ILE 109 Cb -0.05 -0.62 -0.03 0.00 0.13 0.00 0.00 42.46 41.89 3hty s ILE 109 CO -0.08 0.26 0.09 -0.13 -1.91 0.00 0.00 174.94 173.17 3hty s ARG 110 N 1.32 3.69 0.16 3.50 0.52 -1.26 -1.50 118.95 125.37 3hty s ARG 110 Ca -0.05 -0.46 0.08 0.00 -0.52 0.00 0.00 55.73 54.78 3hty s ARG 110 Cb -0.14 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.91 3hty s ARG 110 CO -0.02 -0.20 -0.06 0.71 0.02 0.00 0.00 175.30 175.75 3hty s TYR 111 N 1.64 2.73 -0.01 -0.53 2.02 0.31 -4.57 117.35 118.93 3hty s TYR 111 Ca 0.06 -0.18 0.07 0.00 -0.37 0.00 0.00 57.07 56.65 3hty s TYR 111 Cb -0.15 -1.35 -0.02 0.00 -0.40 0.00 0.00 41.96 40.04 3hty s TYR 111 CO 0.05 0.50 -0.21 0.00 -1.57 0.00 0.00 175.55 174.32 3hty s ALA 112 N -1.62 2.41 -0.05 3.71 0.00 -0.15 -2.10 121.76 123.96 3hty s ALA 112 Ca 0.25 -1.10 -0.29 0.00 0.00 0.00 0.00 51.96 50.82 3hty s ALA 112 Cb -0.09 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 3hty s ALA 112 CO 0.16 0.55 0.94 0.21 0.00 0.00 0.00 175.76 177.62 3hty s LYS 113 N -0.86 4.48 -0.16 0.00 2.20 -0.46 -1.48 119.74 123.46 3hty s LYS 113 Ca 0.11 1.32 -0.29 0.00 -0.36 0.00 0.00 55.97 56.75 3hty s LYS 113 Cb -0.10 -3.49 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3hty s LYS 113 CO 0.01 -0.14 1.34 -0.65 -0.36 0.00 0.00 175.35 175.54 3hty s GLN 114 N 1.39 4.18 0.00 4.03 -0.21 -0.03 -4.98 119.66 124.05 3hty s GLN 114 Ca 0.48 1.70 0.20 0.00 0.02 0.00 0.00 55.36 57.76 3hty s GLN 114 Cb -0.19 -3.82 1.17 0.00 1.00 0.00 0.00 33.01 31.17 3hty s GLN 114 CO 0.22 -0.79 1.56 0.36 -2.12 0.00 0.00 175.29 174.53