#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 1.93 0.18 4.61 0.00 -1.26 -5.01 121.76 122.21 3hty s ALA 23 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 3hty s ALA 23 Cb 0.00 -3.42 -0.07 0.00 0.00 0.00 0.00 23.12 19.62 3hty s ALA 23 CO 0.00 -2.14 0.60 0.45 0.00 0.00 0.00 175.76 174.67 3hty s SER 24 N -2.50 6.86 0.00 0.00 0.15 -1.26 -4.94 113.70 112.01 3hty s SER 24 Ca 0.69 1.16 0.29 0.00 0.70 0.00 0.00 55.95 58.79 3hty s SER 24 Cb -0.25 -2.32 1.27 0.00 -1.71 0.00 0.00 66.02 63.01 3hty s SER 24 CO 0.51 0.06 1.91 0.00 1.20 0.00 0.00 173.24 176.92 3hty n ILE 25 N 0.66 0.00 -2.08 6.45 3.06 -1.26 -4.84 119.36 121.35 3hty n ILE 25 Ca -0.04 -0.01 -0.42 0.00 -2.50 0.00 0.00 62.75 59.78 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 -2.75 3.07 0.00 9.51 1.01 -1.26 -4.89 120.40 125.09 3hty s VAL 26 Ca 0.22 0.75 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3hty s VAL 26 Cb 0.20 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 33.10 3hty s VAL 26 CO 0.51 0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.27 3hty n GLY 27 N 3.63 0.19 3.44 4.51 0.00 -1.26 -5.04 105.19 110.65 3hty n GLY 27 Ca 0.13 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 44.33 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 0.00 5.83 -0.20 1.61 0.01 -1.26 -4.42 113.70 115.27 3hty s SER 28 Ca 0.00 -0.77 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 3hty s SER 28 Cb 0.00 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.13 3hty s SER 28 CO 0.00 -0.33 0.01 0.26 0.41 0.00 0.00 173.24 173.59 3hty s TRP 29 N 1.62 3.07 0.04 2.43 0.52 0.01 0.24 118.94 126.88 3hty s TRP 29 Ca 0.04 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.80 3hty s TRP 29 Cb -0.18 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.02 3hty s TRP 29 CO 0.08 -0.18 -0.05 0.14 0.02 0.00 0.00 176.95 176.96 3hty s VAL 30 N 0.93 0.35 0.27 4.03 -7.23 -0.41 -1.37 120.40 116.96 3hty s VAL 30 Ca 0.02 -1.15 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 3hty s VAL 30 Cb -0.14 -0.64 -0.05 0.00 0.56 0.00 0.00 36.38 36.11 3hty s VAL 30 CO 0.02 -0.53 -0.11 -1.83 -0.31 0.00 0.00 175.10 172.34 3hty s GLU 31 N -1.93 1.56 0.47 4.82 -1.05 0.16 -0.94 118.70 121.78 3hty s GLU 31 Ca -0.09 -1.76 -0.23 0.00 -0.15 0.00 0.00 54.97 52.75 3hty s GLU 31 Cb -0.07 -1.33 -0.07 0.00 -0.44 0.00 0.00 34.13 32.22 3hty s GLU 31 CO -0.02 0.14 1.18 -2.14 0.95 0.00 0.00 175.26 175.38 3hty s PRO 32 N -3.65 3.70 -0.03 -4.83 0.02 -1.26 -0.83 135.00 128.11 3hty s PRO 32 Ca 0.28 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.82 3hty s PRO 32 Cb 0.01 -2.39 -0.04 0.00 0.02 0.00 0.00 34.50 32.10 3hty s PRO 32 CO 0.12 -0.61 1.32 0.08 -0.33 0.00 0.00 177.00 177.58 3hty s VAL 33 N -1.52 3.95 0.02 3.83 1.01 -0.43 -4.74 120.40 122.53 3hty s VAL 33 Ca 0.64 1.30 -0.35 0.00 0.00 0.00 0.00 61.98 63.58 3hty s VAL 33 Cb -0.30 -3.84 -0.13 0.00 0.00 0.00 0.00 36.38 32.12 3hty s VAL 33 CO 0.36 -0.01 1.71 -2.65 0.00 0.00 0.00 175.10 174.50 3hty n PRO 34 N 5.45 2.04 -1.00 2.72 -0.02 -1.26 -1.29 135.00 141.64 3hty n PRO 34 Ca 0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hty n PRO 34 Cb 0.45 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 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 3.84 0.43 2.39 -1.23 0.00 -1.26 -4.95 105.19 104.41 3hty n GLY 35 Ca 0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 3hty n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hty s LEU 36 N 0.00 1.41 0.21 0.99 1.98 -0.41 -5.10 118.68 117.76 3hty s LEU 36 Ca 0.00 -3.07 -0.32 0.00 -2.89 0.00 0.00 54.13 47.85 3hty s LEU 36 Cb 0.00 -0.44 -0.12 0.00 0.66 0.00 0.00 46.19 46.29 3hty s LEU 36 CO 0.00 -0.17 1.72 -1.83 -1.89 0.00 0.00 176.35 174.18 3hty s GLU 37 N 0.06 4.12 0.00 1.98 4.04 -1.26 -2.14 118.70 125.50 3hty s GLU 37 Ca 0.33 2.62 0.00 0.00 0.04 0.00 0.00 54.97 57.95 3hty s GLU 37 Cb 0.04 -3.07 0.00 0.00 0.02 0.00 0.00 34.13 31.12 3hty s GLU 37 CO -0.20 -0.76 0.00 0.41 -1.84 0.00 0.00 175.26 172.88 3hty n GLY 38 N 3.94 0.68 3.21 -3.83 0.00 -1.26 -5.07 105.19 102.86 3hty n GLY 38 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.96 1.02 0.16 1.61 -0.21 -0.91 -5.09 119.66 115.28 3hty s GLN 39 Ca 0.00 -0.96 0.06 0.00 0.02 0.00 0.00 55.36 54.48 3hty s GLN 39 Cb 0.00 -1.12 -0.04 0.00 1.00 0.00 0.00 33.01 32.85 3hty s GLN 39 CO 0.00 0.27 -0.13 0.14 -2.12 0.00 0.00 175.29 173.44 3hty s VAL 40 N -1.06 1.43 0.05 1.09 -7.23 -1.26 -1.31 120.40 112.11 3hty s VAL 40 Ca 0.03 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.05 3hty s VAL 40 Cb -0.09 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.06 3hty s VAL 40 CO 0.02 -0.58 0.33 0.00 -0.31 0.00 0.00 175.10 174.56 3hty s GLN 41 N -3.34 0.86 0.00 4.82 -2.07 -0.01 -4.71 119.66 115.21 3hty s GLN 41 Ca 0.16 -0.53 0.00 0.00 -1.82 0.00 0.00 55.36 53.17 3hty s GLN 41 Cb -0.01 0.37 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 3hty s GLN 41 CO 0.04 -0.29 0.00 0.41 -1.32 0.00 0.00 175.29 174.13 3hty n GLY 42 N 0.44 -0.70 2.97 2.60 0.00 -0.29 -0.67 105.19 109.54 3hty n GLY 42 Ca -0.18 -0.39 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 0.43 0.43 -0.61 2.07 -0.47 -0.14 121.20 118.90 3hty s ILE 43 Ca 0.00 -0.28 0.05 0.00 -1.41 0.00 0.00 60.65 59.01 3hty s ILE 43 Cb 0.00 -0.37 0.05 0.00 0.13 0.00 0.00 42.46 42.27 3hty s ILE 43 CO 0.00 0.09 0.42 1.17 -1.91 0.00 0.00 174.94 174.71 3hty n LYS 44 N 2.86 0.81 -3.53 3.50 4.81 0.53 -0.81 118.16 126.32 3hty n LYS 44 Ca -0.13 -2.56 -0.09 0.00 -0.87 0.00 0.00 58.31 54.65 3hty n LYS 44 Cb 0.58 0.12 -0.03 0.00 0.02 0.00 0.00 35.03 35.72 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 -3.83 0.76 0.19 1.64 2.02 0.83 -1.06 118.70 119.23 3hty s GLU 46 Ca 0.32 -0.14 -0.33 0.00 0.02 0.00 0.00 54.97 54.84 3hty s GLU 46 Cb -0.03 0.35 -0.14 0.00 0.10 0.00 0.00 34.13 34.42 3hty s GLU 46 CO 0.20 -0.30 1.51 0.39 0.02 0.00 0.00 175.26 177.08 3hty n GLU 47 N 0.11 2.08 0.00 1.61 -0.58 -1.26 -2.28 120.64 120.31 3hty n GLU 47 Ca -0.10 0.75 0.00 0.00 -0.42 0.00 0.00 57.16 57.39 3hty n GLU 47 Cb 0.60 -2.47 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 2.94 1.20 0.00 0.62 0.00 -1.26 -4.52 105.19 104.17 3hty n GLY 48 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -1.75 0.77 3.76 -0.02 0.00 -0.97 -5.04 105.19 101.94 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 3.20 0.13 1.61 1.01 -1.25 -0.78 120.40 122.33 3hty s VAL 50 Ca 0.00 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.18 3hty s VAL 50 Cb 0.00 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3hty s VAL 50 CO 0.00 0.26 -0.11 0.00 0.00 0.00 0.00 175.10 175.25 3hty s ALA 51 N -0.91 1.39 0.02 5.51 0.00 -0.74 -0.12 121.76 126.91 3hty s ALA 51 Ca 0.48 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.88 3hty s ALA 51 Cb -0.35 0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.82 3hty s ALA 51 CO 0.44 -0.06 0.34 -1.54 0.00 0.00 0.00 175.76 174.94 3hty s SER 52 N -2.93 -0.19 0.33 0.00 1.04 -0.23 -3.47 113.70 108.26 3hty s SER 52 Ca 0.13 -0.04 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 3hty s SER 52 Cb 0.00 0.36 -0.10 0.00 0.10 0.00 0.00 66.02 66.39 3hty s SER 52 CO 0.01 -0.58 0.90 -0.44 0.98 0.00 0.00 173.24 174.11 3hty s SER 53 N -1.81 7.17 -0.25 7.02 0.01 -1.26 -0.35 113.70 124.24 3hty s SER 53 Ca -0.08 1.71 0.00 0.00 1.31 0.00 0.00 55.95 58.89 3hty s SER 53 Cb -0.02 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.72 3hty s SER 53 CO -0.00 -0.13 -0.09 -0.69 0.41 0.00 0.00 173.24 172.73 3hty s VAL 54 N -1.76 2.51 -0.16 3.43 1.01 0.80 -4.82 120.40 121.41 3hty s VAL 54 Ca 0.52 -1.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.21 3hty s VAL 54 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3hty s VAL 54 CO 0.20 0.13 0.03 -3.20 0.00 0.00 0.00 175.10 172.26 3hty n ASN 55 N 4.57 -6.62 0.00 3.32 5.15 -1.26 -1.14 115.26 119.28 3hty n ASN 55 Ca -0.16 1.02 0.00 0.00 -0.60 0.00 0.00 54.58 54.84 3hty n ASN 55 Cb 0.45 -3.65 0.00 0.00 -0.53 0.00 0.00 39.78 36.05 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 1.20 0.16 0.08 5.20 0.00 -1.26 -4.78 120.51 121.10 3hty n ALA 57 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 3hty n ALA 57 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 3hty n ALA 57 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3hty h THR 58 N 0.00 1.44 -4.08 0.00 1.35 -1.96 -3.42 112.91 106.24 3hty h THR 58 Ca 0.00 -2.49 -0.45 0.00 -0.55 0.00 0.00 66.41 62.92 3hty h THR 58 Cb 0.00 2.40 -0.26 0.00 -1.73 0.00 0.00 68.15 68.56 3hty h THR 58 CO 0.00 0.73 -0.80 -0.76 -0.25 0.00 0.00 175.52 174.45 3hty s LEU 59 N -7.61 2.13 -0.44 3.87 1.43 -1.26 -1.12 118.68 115.68 3hty s LEU 59 Ca -0.04 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 3hty s LEU 59 Cb 0.10 -0.63 0.12 0.00 0.03 0.00 0.00 46.19 45.80 3hty s LEU 59 CO 0.84 0.07 0.20 -0.69 0.23 0.00 0.00 176.35 177.00 3hty s VAL 60 N -0.70 2.80 0.29 -1.59 1.01 0.62 -4.83 120.40 118.00 3hty s VAL 60 Ca 0.03 -2.62 -0.29 0.00 0.00 0.00 0.00 61.98 59.09 3hty s VAL 60 Cb -0.07 -2.96 -0.10 0.00 0.00 0.00 0.00 36.38 33.25 3hty s VAL 60 CO 0.01 -0.71 1.28 -0.31 0.00 0.00 0.00 175.10 175.37 3hty s TYR 61 N 0.51 3.18 0.00 5.22 2.02 -1.26 -1.25 117.35 125.77 3hty s TYR 61 Ca 0.13 1.39 0.00 0.00 -0.37 0.00 0.00 57.07 58.22 3hty s TYR 61 Cb -0.22 -3.61 0.00 0.00 -0.40 0.00 0.00 41.96 37.73 3hty s TYR 61 CO -0.04 -1.72 0.00 0.39 -1.57 0.00 0.00 175.55 172.61 3hty n GLU 62 N 1.39 2.40 -3.55 -0.62 1.02 -0.35 -3.78 120.64 117.15 3hty n GLU 62 Ca 0.02 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.05 3hty n GLU 62 Cb 0.42 -0.80 -0.03 0.00 -0.02 0.00 0.00 31.44 31.01 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 -1.92 -0.41 0.05 1.62 1.04 -1.05 -1.79 113.70 111.23 3hty s SER 63 Ca 0.00 -0.20 0.01 0.00 0.48 0.00 0.00 55.95 56.24 3hty s SER 63 Cb 0.00 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 3hty s SER 63 CO 0.00 -0.97 -0.05 -1.66 0.98 0.00 0.00 173.24 171.54 3hty s TRP 64 N -3.79 0.55 -0.15 5.02 1.48 0.04 -1.37 118.94 120.72 3hty s TRP 64 Ca 0.03 -0.71 -0.13 0.00 -1.06 0.00 0.00 56.10 54.23 3hty s TRP 64 Cb -0.00 -0.35 0.04 0.00 -1.16 0.00 0.00 33.47 31.99 3hty s TRP 64 CO -0.10 -0.19 0.39 0.21 -4.06 0.00 0.00 176.95 173.19 3hty s LYS 65 N -2.47 0.44 -0.14 3.25 2.20 -0.47 -4.56 119.74 117.97 3hty s LYS 65 Ca -0.04 0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 3hty s LYS 65 Cb -0.03 0.18 -0.03 0.00 -1.51 0.00 0.00 37.83 36.44 3hty s LYS 65 CO -0.03 -0.07 -0.03 -1.14 -0.36 0.00 0.00 175.35 173.72 3hty s GLN 66 N 0.40 3.56 -0.41 4.03 0.74 -1.26 -0.42 119.66 126.30 3hty s GLN 66 Ca -0.02 -0.50 0.01 0.00 0.05 0.00 0.00 55.36 54.91 3hty s GLN 66 Cb -0.04 -2.90 0.13 0.00 1.10 0.00 0.00 33.01 31.31 3hty s GLN 66 CO -0.02 0.32 0.21 -1.21 -0.55 0.00 0.00 175.29 174.05 3hty s GLU 67 N 0.15 1.08 7.16 1.67 2.02 0.56 -4.99 118.70 126.35 3hty s GLU 67 Ca -0.01 -1.76 0.00 0.00 0.02 0.00 0.00 54.97 53.22 3hty s GLU 67 Cb -0.14 -2.12 0.00 0.00 0.10 0.00 0.00 34.13 31.98 3hty s GLU 67 CO 0.03 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.57 3hty n GLY 68 N 3.81 1.88 0.52 -1.39 0.00 -1.26 -1.89 105.19 106.86 3hty n GLY 68 Ca 0.08 -0.44 0.10 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 0.23 -3.78 2.61 -2.24 -1.26 -4.87 114.28 104.97 3hty n THR 69 Ca 0.00 -0.33 -0.37 0.00 -2.27 0.00 0.00 64.05 61.07 3hty n THR 69 Cb 0.00 0.29 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -1.77 3.57 -0.20 -0.78 -0.14 -0.79 0.02 119.74 119.64 3hty s LYS 70 Ca 0.30 0.02 -0.00 0.00 -1.36 0.00 0.00 55.97 54.93 3hty s LYS 70 Cb 0.16 -3.20 0.02 0.00 -1.68 0.00 0.00 37.83 33.13 3hty s LYS 70 CO 0.24 0.76 -0.14 -1.17 -0.76 0.00 0.00 175.35 174.27 3hty s LEU 71 N -1.05 2.51 -0.30 3.17 2.96 -1.26 -0.32 118.68 124.38 3hty s LEU 71 Ca 0.17 -0.68 -0.10 0.00 -0.22 0.00 0.00 54.13 53.31 3hty s LEU 71 Cb -0.13 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3hty s LEU 71 CO 0.07 -0.03 0.15 -0.63 -1.32 0.00 0.00 176.35 174.59 3hty s ILE 72 N 1.32 4.69 -0.09 6.68 1.09 0.44 -4.23 121.20 131.11 3hty s ILE 72 Ca 0.04 -0.32 -0.00 0.00 -1.10 0.00 0.00 60.65 59.27 3hty s ILE 72 Cb -0.14 -3.35 -0.03 0.00 -1.06 0.00 0.00 42.46 37.88 3hty s ILE 72 CO -0.09 0.11 -0.07 -0.76 -0.10 0.00 0.00 174.94 174.03 3hty s LEU 73 N 1.64 3.16 0.25 2.97 1.43 0.73 -1.37 118.68 127.48 3hty s LEU 73 Ca 0.05 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3hty s LEU 73 Cb -0.17 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3hty s LEU 73 CO 0.07 0.31 -0.13 0.42 0.23 0.00 0.00 176.35 177.25 3hty s THR 74 N -0.51 1.93 -3.98 5.49 -4.23 -0.47 -0.13 115.64 113.74 3hty s THR 74 Ca 0.08 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 3hty s THR 74 Cb -0.12 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.46 3hty s THR 74 CO 0.02 -0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 3hty n GLY 75 N -0.52 -0.52 3.41 3.99 0.00 -0.96 -1.21 105.19 109.37 3hty n GLY 75 Ca -0.06 -0.89 -0.32 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.59 2.50 -0.15 1.61 3.01 -0.38 -0.96 119.74 123.79 3hty s LYS 76 Ca 0.00 -0.77 -0.03 0.00 -1.01 0.00 0.00 55.97 54.16 3hty s LYS 76 Cb 0.00 -2.31 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 3hty s LYS 76 CO 0.00 0.55 -0.05 0.45 0.51 0.00 0.00 175.35 176.81 3hty s SER 77 N -0.55 4.72 -0.16 2.83 0.15 0.20 -0.28 113.70 120.62 3hty s SER 77 Ca 0.08 -0.13 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3hty s SER 77 Cb -0.11 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.45 3hty s SER 77 CO 0.01 0.19 -0.05 -0.63 1.20 0.00 0.00 173.24 173.95 3hty s ILE 78 N 0.25 3.71 0.00 6.45 1.01 -0.27 -1.22 121.20 131.13 3hty s ILE 78 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.20 3hty s ILE 78 Cb -0.14 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.71 3hty s ILE 78 CO 0.03 0.49 0.00 0.61 0.00 0.00 0.00 174.94 176.07 3hty n GLY 79 N 3.67 1.90 4.08 6.18 0.00 -0.58 -4.64 105.19 115.80 3hty n GLY 79 Ca -0.18 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.90 0.00 1.61 3.02 -1.26 -1.33 115.26 113.40 3hty n ASN 80 Ca 0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 3hty n ASN 80 Cb 0.00 -3.27 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 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 -1.54 0.81 3.47 7.41 0.00 -1.26 -5.04 105.19 109.04 3hty n GLY 81 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.29 1.70 -0.18 1.61 -1.52 -0.44 -5.11 119.66 115.43 3hty s GLN 82 Ca 0.00 -1.36 -0.03 0.00 -1.95 0.00 0.00 55.36 52.02 3hty s GLN 82 Cb 0.00 -1.99 0.06 0.00 -0.22 0.00 0.00 33.01 30.85 3hty s GLN 82 CO 0.00 0.43 0.04 0.99 -0.25 0.00 0.00 175.29 176.50 3hty s THR 83 N -1.49 0.39 0.08 -0.19 2.01 -1.26 -1.53 115.64 113.66 3hty s THR 83 Ca 0.20 -0.41 0.04 0.00 0.31 0.00 0.00 61.69 61.83 3hty s THR 83 Cb -0.09 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 3hty s THR 83 CO 0.11 -0.17 -0.10 0.27 -0.69 0.00 0.00 174.62 174.03 3hty s ILE 84 N 1.92 0.91 0.31 1.82 -4.36 -0.36 -4.92 121.20 116.53 3hty s ILE 84 Ca 0.00 -1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 58.60 3hty s ILE 84 Cb -0.16 -1.21 -0.10 0.00 1.25 0.00 0.00 42.46 42.24 3hty s ILE 84 CO -0.08 -0.48 1.21 -0.70 0.24 0.00 0.00 174.94 175.13 3hty s GLU 85 N -2.46 4.46 0.11 0.37 2.56 -1.26 0.61 118.70 123.10 3hty s GLU 85 Ca 0.02 2.01 0.04 0.00 0.00 0.00 0.00 54.97 57.04 3hty s GLU 85 Cb -0.05 -3.10 -0.04 0.00 2.00 0.00 0.00 34.13 32.95 3hty s GLU 85 CO 0.00 -0.02 -0.10 -0.59 -0.56 0.00 0.00 175.26 173.99 3hty s PHE 86 N -1.17 1.11 -0.08 5.30 -0.12 -0.14 -4.81 117.98 118.08 3hty s PHE 86 Ca 0.47 -0.68 -0.01 0.00 -0.05 0.00 0.00 56.93 56.66 3hty s PHE 86 Cb -0.36 -0.60 0.03 0.00 -0.63 0.00 0.00 43.02 41.46 3hty s PHE 86 CO 0.47 0.02 -0.02 0.08 -0.05 0.00 0.00 175.22 175.72 3hty s VAL 87 N -2.65 0.50 -0.02 -2.49 1.01 -1.26 -2.26 120.40 113.23 3hty s VAL 87 Ca 0.08 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.16 3hty s VAL 87 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3hty s VAL 87 CO 0.00 0.28 -0.23 -1.81 0.00 0.00 0.00 175.10 173.34 3hty s ASP 88 N 1.85 3.34 0.31 3.32 1.01 0.82 -4.96 116.67 122.36 3hty s ASP 88 Ca 0.04 -0.40 0.10 0.00 0.71 0.00 0.00 52.55 53.00 3hty s ASP 88 Cb -0.12 -0.48 -0.06 0.00 1.01 0.00 0.00 42.92 43.27 3hty s ASP 88 CO -0.05 0.32 -0.14 -0.89 0.21 0.00 0.00 175.17 174.62 3hty s THR 89 N -0.67 2.30 -0.04 -1.27 2.01 -1.26 -0.19 115.64 116.52 3hty s THR 89 Ca 0.11 -2.29 0.04 0.00 0.31 0.00 0.00 61.69 59.86 3hty s THR 89 Cb -0.10 -2.48 -0.00 0.00 0.01 0.00 0.00 72.50 69.92 3hty s THR 89 CO -0.00 -0.30 -0.17 -1.81 -0.69 0.00 0.00 174.62 171.65 3hty s ASP 91 N -3.55 2.13 -0.39 3.53 1.01 -1.01 -4.92 116.67 113.46 3hty s ASP 91 Ca 0.31 -0.35 -0.23 0.00 0.71 0.00 0.00 52.55 53.00 3hty s ASP 91 Cb -0.01 -0.58 0.01 0.00 1.01 0.00 0.00 42.92 43.36 3hty s ASP 91 CO 0.15 0.15 0.76 -0.63 0.21 0.00 0.00 175.17 175.82 3hty s ILE 92 N 0.03 4.73 -0.08 0.77 1.01 0.10 -0.86 121.20 126.91 3hty s ILE 92 Ca -0.03 0.69 0.04 0.00 0.00 0.00 0.00 60.65 61.34 3hty s ILE 92 Cb -0.11 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 37.89 3hty s ILE 92 CO 0.02 -0.50 0.54 0.29 0.00 0.00 0.00 174.94 175.28 3hty n LYS 93 N 6.45 0.69 -3.70 2.79 4.76 0.28 -4.92 118.16 124.51 3hty n LYS 93 Ca 0.02 0.28 -0.14 0.00 -2.87 0.00 0.00 58.31 55.61 3hty n LYS 93 Cb 0.48 -1.76 -0.09 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.58 0.64 -0.21 1.97 3.52 -1.12 -4.96 118.95 116.21 3hty s ARG 94 Ca -0.12 0.50 -0.04 0.00 -0.13 0.00 0.00 55.73 55.93 3hty s ARG 94 Cb 0.07 0.30 0.11 0.00 -1.56 0.00 0.00 34.95 33.87 3hty s ARG 94 CO 0.80 -0.11 0.30 -1.17 -0.81 0.00 0.00 175.30 174.31 3hty s LEU 95 N -0.15 -0.37 0.00 -0.88 2.96 -1.26 -0.57 118.68 118.42 3hty s LEU 95 Ca -0.03 0.11 0.01 0.00 -0.22 0.00 0.00 54.13 54.01 3hty s LEU 95 Cb -0.03 0.76 -0.01 0.00 0.50 0.00 0.00 46.19 47.42 3hty s LEU 95 CO 0.02 -0.30 0.05 0.35 -1.32 0.00 0.00 176.35 175.15 3hty n THR 96 N 5.34 0.00 0.01 3.68 -2.24 0.70 -4.49 114.28 117.28 3hty n THR 96 Ca -0.05 -1.12 0.09 0.00 -2.27 0.00 0.00 64.05 60.70 3hty n THR 96 Cb 0.50 0.36 0.51 0.00 -2.10 0.00 0.00 70.33 69.60 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 1.27 1.93 0.00 6.98 0.00 -1.96 -3.28 119.26 124.21 3hty h ALA 97 Ca -0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hty h ALA 97 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hty h ALA 97 CO 0.26 -0.01 -0.00 -0.40 0.00 0.00 0.00 179.25 179.10 3hty n ASP 98 N -4.48 0.88 -3.92 0.00 5.68 -1.26 -4.85 116.55 108.60 3hty n ASP 98 Ca 0.05 -1.46 -0.15 0.00 -0.50 0.00 0.00 54.79 52.74 3hty n ASP 98 Cb 0.23 -0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.06 3hty n ASP 98 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3hty s SER 99 N -0.46 0.41 -0.11 -1.12 0.01 -1.24 -1.94 113.70 109.25 3hty s SER 99 Ca 0.00 -0.06 -0.02 0.00 1.31 0.00 0.00 55.95 57.19 3hty s SER 99 Cb 0.00 -0.06 0.04 0.00 0.21 0.00 0.00 66.02 66.21 3hty s SER 99 CO 0.00 0.03 0.00 -0.22 0.41 0.00 0.00 173.24 173.46 3hty s LEU 100 N 0.00 0.79 -0.14 2.44 2.96 -0.68 -0.22 118.68 123.83 3hty s LEU 100 Ca 0.00 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3hty s LEU 100 Cb -0.02 -0.52 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 3hty s LEU 100 CO -0.00 -0.22 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.99 3hty s VAL 101 N 1.92 2.93 0.18 1.68 1.01 0.27 -0.76 120.40 127.62 3hty s VAL 101 Ca 0.03 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.43 3hty s VAL 101 Cb -0.13 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3hty s VAL 101 CO -0.06 0.52 -0.21 -0.76 0.00 0.00 0.00 175.10 174.58 3hty s LEU 102 N 0.57 2.55 -0.14 3.92 1.43 -0.17 -0.56 118.68 126.29 3hty s LEU 102 Ca -0.08 -0.79 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 3hty s LEU 102 Cb -0.16 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.78 3hty s LEU 102 CO 0.03 0.12 -0.21 -0.62 0.23 0.00 0.00 176.35 175.91 3hty s ASP 103 N -2.65 3.20 -0.39 2.29 -1.08 -0.04 -0.11 116.67 117.89 3hty s ASP 103 Ca 0.21 -0.57 0.03 0.00 -0.52 0.00 0.00 52.55 51.70 3hty s ASP 103 Cb -0.08 -1.46 0.11 0.00 -1.46 0.00 0.00 42.92 40.03 3hty s ASP 103 CO 0.11 0.10 0.12 0.21 0.52 0.00 0.00 175.17 176.23 3hty s ASN 104 N 0.73 4.48 -1.52 -0.34 3.84 -1.26 -2.41 114.94 118.47 3hty s ASN 104 Ca -0.09 -2.35 -0.12 0.00 0.21 0.00 0.00 52.86 50.51 3hty s ASN 104 Cb -0.16 -1.50 0.08 0.00 -0.55 0.00 0.00 41.25 39.12 3hty s ASN 104 CO 0.00 -0.34 0.94 0.00 -2.79 0.00 0.00 177.10 174.91 3hty n GLN 105 N 3.98 -5.32 -0.59 0.43 1.13 -1.26 -4.78 117.38 110.96 3hty n GLN 105 Ca 0.04 0.59 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 3hty n GLN 105 Cb 0.39 -5.42 0.00 0.00 0.11 0.00 0.00 30.24 25.32 3hty n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hty n GLY 106 N -1.68 0.55 3.42 1.08 0.00 -1.26 -5.25 105.19 102.05 3hty n GLY 106 Ca -0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.39 0.55 -0.21 1.61 2.12 -1.26 -5.12 118.70 114.00 3hty s GLU 108 Ca 0.00 0.90 -0.02 0.00 0.36 0.00 0.00 54.97 56.21 3hty s GLU 108 Cb 0.00 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.50 3hty s GLU 108 CO 0.00 -0.13 -0.09 0.42 -0.54 0.00 0.00 175.26 174.91 3hty s ILE 109 N 1.17 2.95 -0.32 -3.70 1.01 0.84 -4.98 121.20 118.18 3hty s ILE 109 Ca -0.07 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 3hty s ILE 109 Cb -0.06 -2.32 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3hty s ILE 109 CO -0.11 0.45 0.13 -0.13 0.00 0.00 0.00 174.94 175.28 3hty s ARG 110 N 1.42 3.11 0.02 2.79 0.52 -1.26 -1.00 118.95 124.54 3hty s ARG 110 Ca 0.05 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.43 3hty s ARG 110 Cb -0.14 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.79 3hty s ARG 110 CO -0.06 -0.49 -0.04 0.71 0.02 0.00 0.00 175.30 175.44 3hty s TYR 111 N 1.54 2.95 0.05 -0.53 2.02 0.06 -4.43 117.35 119.02 3hty s TYR 111 Ca 0.03 -0.00 0.04 0.00 -0.37 0.00 0.00 57.07 56.77 3hty s TYR 111 Cb -0.18 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 3hty s TYR 111 CO 0.05 0.42 -0.05 0.00 -1.57 0.00 0.00 175.55 174.39 3hty s ALA 112 N -1.07 3.09 0.06 3.71 0.00 -0.12 -1.69 121.76 125.73 3hty s ALA 112 Ca 0.19 -1.09 -0.30 0.00 0.00 0.00 0.00 51.96 50.76 3hty s ALA 112 Cb -0.11 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.86 3hty s ALA 112 CO 0.10 0.65 0.99 0.21 0.00 0.00 0.00 175.76 177.70 3hty s LYS 113 N -1.85 4.62 0.09 0.00 2.20 -0.82 -1.29 119.74 122.69 3hty s LYS 113 Ca 0.21 1.46 -0.30 0.00 -0.36 0.00 0.00 55.97 56.97 3hty s LYS 113 Cb -0.11 -3.41 -0.06 0.00 -1.51 0.00 0.00 37.83 32.73 3hty s LYS 113 CO 0.12 0.06 1.19 -0.65 -0.36 0.00 0.00 175.35 175.71 3hty s GLN 114 N 0.51 4.46 0.00 4.03 -0.21 0.14 -4.97 119.66 123.62 3hty s GLN 114 Ca 0.50 1.78 0.13 0.00 0.02 0.00 0.00 55.36 57.78 3hty s GLN 114 Cb -0.23 -3.32 0.75 0.00 1.00 0.00 0.00 33.01 31.21 3hty s GLN 114 CO 0.29 -0.20 1.18 0.36 -2.12 0.00 0.00 175.29 174.80