#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 0.21 4.61 0.00 -1.26 -5.02 121.76 123.79 3hty s ALA 23 Ca 0.00 1.30 -0.09 0.00 0.00 0.00 0.00 51.96 53.17 3hty s ALA 23 Cb 0.00 -3.50 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3hty s ALA 23 CO 0.00 -0.70 0.52 0.45 0.00 0.00 0.00 175.76 176.03 3hty s SER 24 N -0.46 6.62 0.00 0.00 0.15 -1.26 -4.90 113.70 113.85 3hty s SER 24 Ca 0.50 0.88 0.28 0.00 0.70 0.00 0.00 55.95 58.31 3hty s SER 24 Cb -0.41 -2.21 1.15 0.00 -1.71 0.00 0.00 66.02 62.84 3hty s SER 24 CO 0.54 -0.03 1.80 0.00 1.20 0.00 0.00 173.24 176.75 3hty n ILE 25 N 0.01 0.00 -2.25 6.45 3.06 -1.26 -4.85 119.36 120.51 3hty n ILE 25 Ca -0.01 -0.12 -0.42 0.00 -2.50 0.00 0.00 62.75 59.70 3hty n ILE 25 Cb 0.52 0.13 -0.03 0.00 0.54 0.00 0.00 39.64 40.80 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 -2.30 3.71 -5.00 9.51 1.01 -1.26 -4.87 120.40 121.20 3hty s VAL 26 Ca 0.32 1.14 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3hty s VAL 26 Cb 0.20 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.85 3hty s VAL 26 CO 0.44 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3hty n GLY 27 N 3.55 -0.22 3.60 4.51 0.00 -1.26 -5.04 105.19 110.33 3hty n GLY 27 Ca 0.12 -1.57 -0.34 0.00 0.00 0.00 0.00 46.02 44.23 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 -3.95 5.35 -0.14 1.61 0.01 -1.26 -4.38 113.70 110.93 3hty s SER 28 Ca 0.00 0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.29 3hty s SER 28 Cb 0.00 -1.88 0.02 0.00 0.21 0.00 0.00 66.02 64.37 3hty s SER 28 CO 0.00 0.19 -0.16 0.26 0.41 0.00 0.00 173.24 173.94 3hty s TRP 29 N 0.26 2.26 0.11 2.43 0.52 0.08 -1.03 118.94 123.57 3hty s TRP 29 Ca 0.01 -1.22 0.04 0.00 0.02 0.00 0.00 56.10 54.95 3hty s TRP 29 Cb -0.13 -1.62 -0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3hty s TRP 29 CO 0.01 -0.64 -0.11 0.14 0.02 0.00 0.00 176.95 176.38 3hty s VAL 30 N 1.28 1.04 0.11 4.03 -7.23 -0.26 -1.16 120.40 118.21 3hty s VAL 30 Ca 0.01 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3hty s VAL 30 Cb -0.14 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3hty s VAL 30 CO -0.08 -0.58 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.22 3hty s GLU 31 N -2.97 0.89 0.44 4.82 -1.05 -0.25 -0.91 118.70 119.67 3hty s GLU 31 Ca 0.08 -1.34 -0.25 0.00 -0.15 0.00 0.00 54.97 53.31 3hty s GLU 31 Cb -0.02 -0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 33.23 3hty s GLU 31 CO 0.00 0.02 1.32 -2.14 0.95 0.00 0.00 175.26 175.41 3hty s PRO 32 N -3.66 3.80 -0.18 -4.83 0.02 -1.26 -1.35 135.00 127.54 3hty s PRO 32 Ca 0.12 2.17 -0.29 0.00 0.02 0.00 0.00 61.00 63.02 3hty s PRO 32 Cb 0.03 -2.64 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 3hty s PRO 32 CO -0.03 -0.64 1.21 0.08 -0.33 0.00 0.00 177.00 177.29 3hty s VAL 33 N -1.29 4.37 0.15 3.83 1.01 -0.10 -4.76 120.40 123.62 3hty s VAL 33 Ca 0.60 1.66 -0.34 0.00 0.00 0.00 0.00 61.98 63.90 3hty s VAL 33 Cb -0.38 -4.07 -0.15 0.00 0.00 0.00 0.00 36.38 31.78 3hty s VAL 33 CO 0.48 -0.14 1.46 -2.65 0.00 0.00 0.00 175.10 174.25 3hty n PRO 34 N 6.50 1.79 0.00 2.72 -0.02 -1.26 -1.66 135.00 143.07 3hty n PRO 34 Ca 0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3hty n PRO 34 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 2.87 2.80 2.89 -1.23 0.00 -1.26 -4.94 105.19 106.32 3hty n GLY 35 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 3.90 0.26 0.99 1.43 -0.67 -5.09 118.68 119.51 3hty s LEU 36 Ca 0.00 -2.95 -0.30 0.00 -1.03 0.00 0.00 54.13 49.85 3hty s LEU 36 Cb 0.00 -1.48 -0.13 0.00 0.03 0.00 0.00 46.19 44.61 3hty s LEU 36 CO 0.00 -0.23 1.36 1.21 0.23 0.00 0.00 176.35 178.91 3hty n GLU 37 N 3.17 2.00 0.00 1.70 2.13 -1.26 -2.52 120.64 125.86 3hty n GLU 37 Ca 0.07 0.71 0.00 0.00 0.66 0.00 0.00 57.16 58.60 3hty n GLU 37 Cb 0.33 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.70 3hty n GLU 37 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hty n GLY 38 N 1.81 2.42 3.92 8.31 0.00 -1.26 -5.03 105.19 115.35 3hty n GLY 38 Ca 0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.36 3.38 0.19 1.61 -1.52 -1.05 -5.03 119.66 116.88 3hty s GLN 39 Ca 0.00 -0.55 0.06 0.00 -1.95 0.00 0.00 55.36 52.92 3hty s GLN 39 Cb 0.00 -2.96 -0.05 0.00 -0.22 0.00 0.00 33.01 29.78 3hty s GLN 39 CO 0.00 0.56 -0.11 0.14 -0.25 0.00 0.00 175.29 175.62 3hty s VAL 40 N -1.63 1.48 0.13 1.09 -7.23 -1.26 -0.93 120.40 112.06 3hty s VAL 40 Ca 0.34 -2.14 -0.10 0.00 -1.81 0.00 0.00 61.98 58.27 3hty s VAL 40 Cb -0.12 -2.02 0.00 0.00 0.56 0.00 0.00 36.38 34.80 3hty s VAL 40 CO 0.28 -0.61 0.28 0.00 -0.31 0.00 0.00 175.10 174.74 3hty s GLN 41 N -3.70 1.04 0.00 4.82 -2.07 -0.45 -4.72 119.66 114.58 3hty s GLN 41 Ca 0.21 -1.00 0.00 0.00 -1.82 0.00 0.00 55.36 52.75 3hty s GLN 41 Cb 0.01 0.39 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 3hty s GLN 41 CO 0.05 -0.37 0.00 0.41 -1.32 0.00 0.00 175.29 174.06 3hty n GLY 42 N -0.17 -0.62 2.86 2.60 0.00 0.14 -1.09 105.19 108.91 3hty n GLY 42 Ca -0.12 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.91 0.03 0.43 -0.61 1.01 -0.31 -0.30 121.20 117.54 3hty s ILE 43 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3hty s ILE 43 Cb 0.00 -0.06 0.04 0.00 0.01 0.00 0.00 42.46 42.45 3hty s ILE 43 CO 0.00 0.03 0.34 1.17 0.00 0.00 0.00 174.94 176.48 3hty n LYS 44 N 3.29 0.84 -3.61 2.79 4.81 -0.11 -0.74 118.16 125.43 3hty n LYS 44 Ca -0.15 -2.66 -0.03 0.00 -0.87 0.00 0.00 58.31 54.59 3hty n LYS 44 Cb 0.58 0.25 -0.02 0.00 0.02 0.00 0.00 35.03 35.86 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 -3.78 0.23 0.49 1.64 2.02 -0.10 -0.97 118.70 118.23 3hty s GLU 46 Ca 0.26 -0.09 -0.24 0.00 0.02 0.00 0.00 54.97 54.93 3hty s GLU 46 Cb -0.02 0.10 -0.07 0.00 0.10 0.00 0.00 34.13 34.25 3hty s GLU 46 CO 0.17 -0.10 1.38 -1.21 0.02 0.00 0.00 175.26 175.51 3hty s GLU 47 N -2.31 3.46 0.00 1.61 8.01 -1.26 -2.37 118.70 125.84 3hty s GLU 47 Ca 0.10 2.30 0.00 0.00 0.01 0.00 0.00 54.97 57.38 3hty s GLU 47 Cb -0.01 -2.47 0.00 0.00 -4.31 0.00 0.00 34.13 27.34 3hty s GLU 47 CO -0.04 -0.96 0.00 0.41 0.01 0.00 0.00 175.26 174.68 3hty n GLY 48 N 0.64 0.36 1.23 -1.39 0.00 -1.26 -4.36 105.19 100.42 3hty n GLY 48 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 0.97 3.74 -0.02 0.00 -1.00 -5.04 105.19 101.84 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 -2.61 3.63 0.11 1.61 1.01 -1.25 -1.48 120.40 121.41 3hty s VAL 50 Ca 0.00 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.43 3hty s VAL 50 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3hty s VAL 50 CO 0.00 0.21 -0.23 0.00 0.00 0.00 0.00 175.10 175.07 3hty s ALA 51 N 0.03 2.03 0.01 5.51 0.00 -0.79 -0.92 121.76 127.63 3hty s ALA 51 Ca 0.53 -1.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.09 3hty s ALA 51 Cb -0.32 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3hty s ALA 51 CO 0.36 0.44 0.16 -1.54 0.00 0.00 0.00 175.76 175.18 3hty s SER 52 N -1.89 0.01 0.29 0.00 1.04 -0.15 -2.89 113.70 110.10 3hty s SER 52 Ca 0.09 -0.21 -0.29 0.00 0.48 0.00 0.00 55.95 56.03 3hty s SER 52 Cb -0.10 0.23 -0.09 0.00 0.10 0.00 0.00 66.02 66.15 3hty s SER 52 CO 0.05 -0.41 1.08 -0.44 0.98 0.00 0.00 173.24 174.50 3hty s SER 53 N -1.49 7.25 -0.34 7.02 0.01 -1.26 -0.94 113.70 123.94 3hty s SER 53 Ca -0.13 2.23 -0.09 0.00 1.31 0.00 0.00 55.95 59.27 3hty s SER 53 Cb -0.06 -2.62 0.02 0.00 0.21 0.00 0.00 66.02 63.57 3hty s SER 53 CO 0.01 -0.15 0.15 -0.69 0.41 0.00 0.00 173.24 172.97 3hty s VAL 54 N -1.21 4.25 -0.28 3.43 1.01 0.59 -4.85 120.40 123.35 3hty s VAL 54 Ca 0.45 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 3hty s VAL 54 Cb -0.31 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3hty s VAL 54 CO 0.39 -0.13 0.06 -3.20 0.00 0.00 0.00 175.10 172.22 3hty n ASN 55 N 4.92 -7.81 0.00 3.32 5.15 -1.26 -0.68 115.26 118.89 3hty n ASN 55 Ca -0.13 1.20 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 3hty n ASN 55 Cb 0.46 -4.80 0.00 0.00 -0.53 0.00 0.00 39.78 34.92 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 0.69 0.43 0.15 5.20 0.00 -1.26 -4.74 120.51 120.99 3hty n ALA 57 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.20 3hty n ALA 57 Cb 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.41 3hty n ALA 57 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hty h THR 58 N 0.00 1.28 -3.81 0.00 2.02 -1.96 -3.44 112.91 107.00 3hty h THR 58 Ca 0.00 -2.70 -0.63 0.00 0.77 0.00 0.00 66.41 63.85 3hty h THR 58 Cb 0.00 3.05 -0.16 0.00 -1.74 0.00 0.00 68.15 69.30 3hty h THR 58 CO 0.00 0.81 -0.44 -0.76 0.37 0.00 0.00 175.52 175.50 3hty s LEU 59 N -7.60 4.04 -0.43 2.58 1.43 -1.26 -1.08 118.68 116.35 3hty s LEU 59 Ca -0.09 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 3hty s LEU 59 Cb 0.04 -2.21 0.12 0.00 0.03 0.00 0.00 46.19 44.17 3hty s LEU 59 CO 0.95 -0.07 0.18 -0.69 0.23 0.00 0.00 176.35 176.95 3hty s VAL 60 N 1.75 2.87 0.42 -1.59 1.01 0.31 -4.72 120.40 120.45 3hty s VAL 60 Ca 0.09 -2.46 -0.24 0.00 0.00 0.00 0.00 61.98 59.37 3hty s VAL 60 Cb -0.16 -3.00 -0.08 0.00 0.00 0.00 0.00 36.38 33.14 3hty s VAL 60 CO 0.10 -0.70 1.12 -0.31 0.00 0.00 0.00 175.10 175.31 3hty s TYR 61 N 0.69 3.08 0.00 5.22 2.02 -1.26 -0.39 117.35 126.71 3hty s TYR 61 Ca 0.12 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 3hty s TYR 61 Cb -0.22 -3.28 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 3hty s TYR 61 CO -0.05 -1.10 0.00 0.39 -1.57 0.00 0.00 175.55 173.23 3hty n GLU 62 N -0.18 0.77 -3.91 -0.62 1.02 -0.03 -4.10 120.64 113.60 3hty n GLU 62 Ca 0.06 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3hty n GLU 62 Cb 0.48 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 31.09 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 -2.99 -0.10 0.06 1.62 1.04 -1.04 -1.88 113.70 110.41 3hty s SER 63 Ca 0.00 -0.77 -0.10 0.00 0.48 0.00 0.00 55.95 55.56 3hty s SER 63 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 3hty s SER 63 CO 0.00 -1.03 0.22 -1.66 0.98 0.00 0.00 173.24 171.75 3hty s TRP 64 N -3.96 0.05 -0.26 5.02 1.48 -0.55 -1.14 118.94 119.58 3hty s TRP 64 Ca 0.17 -0.34 -0.20 0.00 -1.06 0.00 0.00 56.10 54.66 3hty s TRP 64 Cb 0.01 -0.00 0.07 0.00 -1.16 0.00 0.00 33.47 32.38 3hty s TRP 64 CO 0.02 -0.50 0.67 0.21 -4.06 0.00 0.00 176.95 173.30 3hty s LYS 65 N -3.12 0.75 -0.18 3.25 2.20 -0.39 -4.68 119.74 117.57 3hty s LYS 65 Ca -0.01 1.04 -0.07 0.00 -0.36 0.00 0.00 55.97 56.57 3hty s LYS 65 Cb 0.01 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.57 3hty s LYS 65 CO -0.07 -0.12 0.05 -1.14 -0.36 0.00 0.00 175.35 173.71 3hty s GLN 66 N 0.87 3.94 -0.27 4.03 0.74 -1.26 -0.75 119.66 126.96 3hty s GLN 66 Ca -0.04 -0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.01 3hty s GLN 66 Cb -0.05 -3.18 0.08 0.00 1.10 0.00 0.00 33.01 30.96 3hty s GLN 66 CO -0.07 0.27 0.01 -1.21 -0.55 0.00 0.00 175.29 173.74 3hty s GLU 67 N 0.36 1.30 7.75 1.67 2.02 -0.56 -5.00 118.70 126.24 3hty s GLU 67 Ca 0.02 -1.13 0.00 0.00 0.02 0.00 0.00 54.97 53.88 3hty s GLU 67 Cb -0.13 -2.52 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3hty s GLU 67 CO 0.00 -0.76 0.00 0.41 0.02 0.00 0.00 175.26 174.93 3hty n GLY 68 N 4.67 3.29 1.40 -1.39 0.00 -1.26 -0.73 105.19 111.16 3hty n GLY 68 Ca -0.06 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3hty n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hty n THR 69 N 0.00 1.43 -3.80 2.61 -2.24 -1.26 -4.94 114.28 106.09 3hty n THR 69 Ca 0.00 -1.01 -0.33 0.00 -2.27 0.00 0.00 64.05 60.44 3hty n THR 69 Cb 0.00 0.19 -0.05 0.00 -2.10 0.00 0.00 70.33 68.37 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 -1.61 3.54 -0.15 -0.78 -0.14 0.09 -1.04 119.74 119.65 3hty s LYS 70 Ca 0.46 -0.20 0.02 0.00 -1.36 0.00 0.00 55.97 54.89 3hty s LYS 70 Cb 0.28 -3.02 0.01 0.00 -1.68 0.00 0.00 37.83 33.43 3hty s LYS 70 CO 0.25 0.60 -0.21 -1.17 -0.76 0.00 0.00 175.35 174.06 3hty s LEU 71 N -2.18 2.07 -0.23 3.17 2.96 -1.26 -1.50 118.68 121.71 3hty s LEU 71 Ca 0.33 -0.60 -0.09 0.00 -0.22 0.00 0.00 54.13 53.55 3hty s LEU 71 Cb -0.13 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 3hty s LEU 71 CO 0.21 0.06 0.12 -0.63 -1.32 0.00 0.00 176.35 174.79 3hty s ILE 72 N 0.94 4.97 -0.04 6.68 1.01 0.07 -4.29 121.20 130.54 3hty s ILE 72 Ca -0.04 0.04 0.06 0.00 0.00 0.00 0.00 60.65 60.71 3hty s ILE 72 Cb -0.15 -3.31 -0.01 0.00 0.01 0.00 0.00 42.46 39.00 3hty s ILE 72 CO -0.04 0.36 -0.23 -0.76 0.00 0.00 0.00 174.94 174.26 3hty s LEU 73 N 1.13 2.04 0.21 2.97 1.43 -0.14 -1.27 118.68 125.05 3hty s LEU 73 Ca 0.06 -0.46 0.06 0.00 -1.03 0.00 0.00 54.13 52.77 3hty s LEU 73 Cb -0.14 -1.26 -0.05 0.00 0.03 0.00 0.00 46.19 44.77 3hty s LEU 73 CO 0.04 0.25 -0.10 0.42 0.23 0.00 0.00 176.35 177.19 3hty s THR 74 N -0.30 1.54 -4.56 5.49 -4.23 -0.29 -0.71 115.64 112.58 3hty s THR 74 Ca 0.02 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3hty s THR 74 Cb -0.12 -2.13 0.00 0.00 1.34 0.00 0.00 72.50 71.60 3hty s THR 74 CO 0.02 -0.53 0.00 0.61 -0.54 0.00 0.00 174.62 174.17 3hty n GLY 75 N -0.39 -0.50 3.06 3.99 0.00 -1.08 -0.85 105.19 109.41 3hty n GLY 75 Ca -0.08 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 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 -1.82 0.55 -0.20 1.61 -2.85 0.47 -0.62 119.74 116.88 3hty s LYS 76 Ca 0.00 -0.70 -0.01 0.00 -1.00 0.00 0.00 55.97 54.26 3hty s LYS 76 Cb 0.00 -0.36 0.00 0.00 -2.06 0.00 0.00 37.83 35.41 3hty s LYS 76 CO 0.00 0.07 -0.12 0.45 0.10 0.00 0.00 175.35 175.85 3hty s SER 77 N -1.39 3.73 -0.37 0.03 0.15 0.03 -0.53 113.70 115.35 3hty s SER 77 Ca -0.08 -0.51 -0.17 0.00 0.70 0.00 0.00 55.95 55.89 3hty s SER 77 Cb -0.09 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3hty s SER 77 CO 0.00 -0.00 0.47 -0.63 1.20 0.00 0.00 173.24 174.28 3hty s ILE 78 N 1.35 5.05 0.00 6.45 1.01 -0.25 -1.70 121.20 133.11 3hty s ILE 78 Ca 0.05 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.78 3hty s ILE 78 Cb -0.14 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.36 3hty s ILE 78 CO -0.07 -0.28 0.00 0.61 0.00 0.00 0.00 174.94 175.20 3hty n GLY 79 N 4.93 0.92 3.31 6.18 0.00 0.42 -4.76 105.19 116.20 3hty n GLY 79 Ca -0.06 -0.68 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -5.40 -1.04 1.61 3.02 -1.26 -1.15 115.26 111.04 3hty n ASN 80 Ca 0.00 -0.42 -0.13 0.00 -0.03 0.00 0.00 54.58 54.01 3hty n ASN 80 Cb 0.00 -4.35 -0.05 0.00 -0.61 0.00 0.00 39.78 34.77 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 -1.53 1.10 3.13 7.41 0.00 -1.26 -4.99 105.19 109.05 3hty n GLY 81 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.46 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 -3.33 0.68 -0.19 1.61 -0.21 -0.30 -5.13 119.66 112.80 3hty s GLN 82 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 55.36 54.38 3hty s GLN 82 Cb 0.00 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.31 3hty s GLN 82 CO 0.00 -0.17 -0.11 0.99 -2.12 0.00 0.00 175.29 173.88 3hty s THR 83 N -3.55 1.61 -0.13 -0.19 2.01 -1.26 -0.43 115.64 113.71 3hty s THR 83 Ca 0.03 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.12 3hty s THR 83 Cb 0.04 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.91 3hty s THR 83 CO -0.09 0.22 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.25 3hty s ILE 84 N 1.42 1.77 0.31 1.82 1.01 -0.69 -4.93 121.20 121.92 3hty s ILE 84 Ca -0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 60.65 59.57 3hty s ILE 84 Cb -0.16 -1.60 -0.10 0.00 0.01 0.00 0.00 42.46 40.62 3hty s ILE 84 CO -0.09 0.49 1.15 -1.61 0.00 0.00 0.00 174.94 174.89 3hty s GLU 85 N 0.97 4.47 0.14 2.79 0.41 -1.26 -0.79 118.70 125.43 3hty s GLU 85 Ca -0.05 1.88 0.04 0.00 -0.41 0.00 0.00 54.97 56.42 3hty s GLU 85 Cb -0.15 -3.06 -0.04 0.00 -1.78 0.00 0.00 34.13 29.10 3hty s GLU 85 CO -0.03 0.04 -0.10 -0.59 -0.49 0.00 0.00 175.26 174.09 3hty s PHE 86 N -1.22 1.21 -0.26 1.61 -0.12 0.21 -4.94 117.98 114.46 3hty s PHE 86 Ca 0.48 -0.77 -0.03 0.00 -0.05 0.00 0.00 56.93 56.56 3hty s PHE 86 Cb -0.33 -0.62 0.09 0.00 -0.63 0.00 0.00 43.02 41.52 3hty s PHE 86 CO 0.42 0.05 0.09 0.08 -0.05 0.00 0.00 175.22 175.81 3hty s VAL 87 N -3.32 0.41 -0.07 -2.49 1.01 -1.26 -2.63 120.40 112.04 3hty s VAL 87 Ca 0.16 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3hty s VAL 87 Cb 0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3hty s VAL 87 CO -0.00 -0.53 0.01 -1.81 0.00 0.00 0.00 175.10 172.77 3hty s ASP 88 N 1.88 5.30 0.29 3.32 1.01 0.11 -4.98 116.67 123.60 3hty s ASP 88 Ca 0.06 0.14 0.10 0.00 0.71 0.00 0.00 52.55 53.56 3hty s ASP 88 Cb -0.17 -1.49 -0.05 0.00 1.01 0.00 0.00 42.92 42.22 3hty s ASP 88 CO -0.23 0.36 -0.07 -0.89 0.21 0.00 0.00 175.17 174.56 3hty s THR 89 N -0.94 2.89 -0.07 -1.27 2.01 -1.26 -0.97 115.64 116.04 3hty s THR 89 Ca 0.15 -2.10 0.05 0.00 0.31 0.00 0.00 61.69 60.10 3hty s THR 89 Cb -0.11 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.74 3hty s THR 89 CO 0.04 -0.33 -0.22 -1.81 -0.69 0.00 0.00 174.62 171.60 3hty s ASP 91 N -3.63 3.29 -0.41 3.53 1.01 -0.00 -4.81 116.67 115.64 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 -0.04 -0.98 0.02 0.00 1.01 0.00 0.00 42.92 42.92 3hty s ASP 91 CO 0.18 0.24 0.71 -0.63 0.21 0.00 0.00 175.17 175.88 3hty s ILE 92 N -0.12 4.76 -0.18 0.77 1.01 -0.21 -0.72 121.20 126.51 3hty s ILE 92 Ca -0.04 0.47 0.20 0.00 0.00 0.00 0.00 60.65 61.27 3hty s ILE 92 Cb -0.14 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.04 3hty s ILE 92 CO 0.04 -0.54 0.93 0.29 0.00 0.00 0.00 174.94 175.65 3hty n LYS 93 N 6.40 0.61 -3.63 2.79 4.76 0.75 -4.91 118.16 124.93 3hty n LYS 93 Ca 0.01 0.16 -0.13 0.00 -2.87 0.00 0.00 58.31 55.48 3hty n LYS 93 Cb 0.48 -1.81 -0.07 0.00 -1.84 0.00 0.00 35.03 31.79 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 -3.16 0.79 -0.26 1.97 3.52 -1.19 -4.93 118.95 115.69 3hty s ARG 94 Ca -0.02 0.98 -0.01 0.00 -0.13 0.00 0.00 55.73 56.54 3hty s ARG 94 Cb 0.09 0.36 0.14 0.00 -1.56 0.00 0.00 34.95 33.99 3hty s ARG 94 CO 0.80 -0.10 0.39 -1.17 -0.81 0.00 0.00 175.30 174.41 3hty s LEU 95 N 0.50 -0.68 0.00 -0.88 2.96 -1.26 -1.10 118.68 118.22 3hty s LEU 95 Ca -0.01 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.97 3hty s LEU 95 Cb -0.05 1.12 -0.00 0.00 0.50 0.00 0.00 46.19 47.76 3hty s LEU 95 CO -0.02 -0.32 0.04 0.35 -1.32 0.00 0.00 176.35 175.08 3hty n THR 96 N 5.36 0.00 0.08 3.68 -2.24 -0.05 -4.63 114.28 116.48 3hty n THR 96 Ca -0.02 -0.82 0.03 0.00 -2.27 0.00 0.00 64.05 60.97 3hty n THR 96 Cb 0.50 0.26 0.43 0.00 -2.10 0.00 0.00 70.33 69.41 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 1.19 1.64 -0.00 6.98 0.00 -1.95 -3.28 119.26 123.83 3hty h ALA 97 Ca -0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3hty h ALA 97 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3hty h ALA 97 CO 0.19 0.28 -0.05 -0.25 0.00 0.00 0.00 179.25 179.42 3hty n ASP 98 N -4.39 0.75 -4.01 0.00 8.00 -1.26 -4.77 116.55 110.87 3hty n ASP 98 Ca 0.01 -0.87 -0.10 0.00 0.71 0.00 0.00 54.79 54.53 3hty n ASP 98 Cb 0.16 0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 41.59 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 -0.68 0.44 -0.10 -2.24 0.01 -1.24 -1.52 113.70 108.36 3hty s SER 99 Ca 0.02 -0.54 -0.05 0.00 1.31 0.00 0.00 55.95 56.69 3hty s SER 99 Cb 0.02 0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.38 3hty s SER 99 CO 0.07 -0.29 0.23 -0.22 0.41 0.00 0.00 173.24 173.44 3hty s LEU 100 N -1.57 0.41 -0.10 2.44 2.96 -0.90 -0.87 118.68 121.04 3hty s LEU 100 Ca -0.13 0.49 0.02 0.00 -0.22 0.00 0.00 54.13 54.28 3hty s LEU 100 Cb -0.09 0.66 0.02 0.00 0.50 0.00 0.00 46.19 47.28 3hty s LEU 100 CO -0.01 -0.17 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.02 3hty s VAL 101 N 1.34 1.41 0.02 1.68 1.01 -0.26 -0.36 120.40 125.24 3hty s VAL 101 Ca -0.08 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.38 3hty s VAL 101 Cb -0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3hty s VAL 101 CO -0.08 0.42 -0.21 -0.76 0.00 0.00 0.00 175.10 174.47 3hty s LEU 102 N 1.00 2.42 -0.12 3.92 1.43 -0.67 -0.17 118.68 126.49 3hty s LEU 102 Ca -0.07 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 3hty s LEU 102 Cb -0.15 -1.43 0.03 0.00 0.03 0.00 0.00 46.19 44.67 3hty s LEU 102 CO -0.01 0.28 -0.06 -0.62 0.23 0.00 0.00 176.35 176.16 3hty s ASP 103 N -1.19 2.29 -0.47 2.29 -1.08 0.10 -1.41 116.67 117.20 3hty s ASP 103 Ca 0.13 -0.38 -0.01 0.00 -0.52 0.00 0.00 52.55 51.77 3hty s ASP 103 Cb -0.10 -0.80 0.13 0.00 -1.46 0.00 0.00 42.92 40.68 3hty s ASP 103 CO 0.03 -0.15 0.25 0.21 0.52 0.00 0.00 175.17 176.03 3hty s ASN 104 N 1.73 5.05 -1.51 -0.34 3.84 -1.26 -0.82 114.94 121.62 3hty s ASN 104 Ca 0.04 -2.41 -0.11 0.00 0.21 0.00 0.00 52.86 50.58 3hty s ASN 104 Cb -0.13 -1.78 0.08 0.00 -0.55 0.00 0.00 41.25 38.86 3hty s ASN 104 CO -0.08 -0.43 0.90 0.00 -2.79 0.00 0.00 177.10 174.70 3hty n GLN 105 N 4.04 -5.12 0.00 0.43 6.02 -1.26 -4.80 117.38 116.68 3hty n GLN 105 Ca 0.03 0.57 0.00 0.00 -0.01 0.00 0.00 57.00 57.59 3hty n GLN 105 Cb 0.39 -5.36 0.00 0.00 1.02 0.00 0.00 30.24 26.29 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 -1.66 0.70 3.64 1.08 0.00 -1.26 -5.24 105.19 102.44 3hty n GLY 106 Ca -0.03 -0.44 -0.05 0.00 0.00 0.00 0.00 46.02 45.50 3hty n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hty s GLU 108 N -0.42 0.22 -0.05 1.61 2.02 -1.26 -5.07 118.70 115.74 3hty s GLU 108 Ca 0.00 0.23 0.04 0.00 0.02 0.00 0.00 54.97 55.25 3hty s GLU 108 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.34 3hty s GLU 108 CO 0.00 -0.03 -0.17 0.42 0.02 0.00 0.00 175.26 175.50 3hty s ILE 109 N -0.05 1.41 -0.16 -1.63 -1.09 -0.50 -5.00 121.20 114.18 3hty s ILE 109 Ca 0.06 -0.69 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 3hty s ILE 109 Cb -0.04 -1.23 -0.02 0.00 -1.58 0.00 0.00 42.46 39.59 3hty s ILE 109 CO -0.11 0.41 -0.06 -0.60 -1.23 0.00 0.00 174.94 173.35 3hty s ARG 110 N 0.19 3.56 0.23 2.79 3.52 -1.26 -1.67 118.95 126.31 3hty s ARG 110 Ca -0.07 -0.57 0.11 0.00 -0.13 0.00 0.00 55.73 55.06 3hty s ARG 110 Cb -0.13 -2.87 -0.04 0.00 -1.56 0.00 0.00 34.95 30.34 3hty s ARG 110 CO 0.03 0.15 -0.15 0.71 -0.81 0.00 0.00 175.30 175.24 3hty s TYR 111 N 0.57 2.46 0.05 5.12 2.02 0.51 -4.65 117.35 123.43 3hty s TYR 111 Ca -0.04 -0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.44 3hty s TYR 111 Cb -0.15 -1.15 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 3hty s TYR 111 CO 0.03 0.58 -0.15 0.00 -1.57 0.00 0.00 175.55 174.44 3hty s ALA 112 N -2.02 2.70 0.18 3.71 0.00 -0.09 -2.13 121.76 124.12 3hty s ALA 112 Ca 0.26 -1.18 -0.30 0.00 0.00 0.00 0.00 51.96 50.74 3hty s ALA 112 Cb -0.07 -0.81 -0.07 0.00 0.00 0.00 0.00 23.12 22.17 3hty s ALA 112 CO 0.14 0.59 1.07 0.21 0.00 0.00 0.00 175.76 177.78 3hty s LYS 113 N -1.57 4.62 0.00 0.00 2.20 -0.58 -1.10 119.74 123.32 3hty s LYS 113 Ca 0.16 1.67 0.26 0.00 -0.36 0.00 0.00 55.97 57.70 3hty s LYS 113 Cb -0.11 -3.29 0.64 0.00 -1.51 0.00 0.00 37.83 33.57 3hty s LYS 113 CO 0.07 0.12 1.52 0.94 -0.36 0.00 0.00 175.35 177.63