#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5d n GLY 9 N 0.00 0.07 3.56 0.23 0.00 -1.26 -4.63 105.19 103.15 3d5d n GLY 9 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3d5d n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3d5d s LYS 10 N 0.00 2.30 0.03 1.61 1.02 -1.26 -3.28 119.74 120.16 3d5d s LYS 10 Ca 0.00 -0.00 -0.00 0.00 0.02 0.00 0.00 55.97 55.98 3d5d s LYS 10 Cb 0.00 -4.94 0.00 0.00 -0.52 0.00 0.00 37.83 32.37 3d5d s LYS 10 CO 0.00 -3.62 0.05 0.54 -0.92 0.00 0.00 175.35 171.41 3d5d n ARG 11 N 8.87 0.08 0.33 1.68 5.12 -1.26 -4.87 116.66 126.60 3d5d n ARG 11 Ca 0.41 -0.25 0.13 0.00 -1.93 0.00 0.00 57.85 56.20 3d5d n ARG 11 Cb 0.46 0.26 0.67 0.00 -1.16 0.00 0.00 32.46 32.69 3d5d n ARG 11 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3d5d h PRO 12 N 0.00 0.00 0.62 5.56 0.13 -1.95 -1.70 132.00 134.67 3d5d h PRO 12 Ca -0.03 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 3d5d h PRO 12 Cb 0.11 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.25 3d5d h PRO 12 CO 0.04 0.00 -0.30 0.97 -0.23 0.00 0.00 178.00 178.48 3d5d h ILE 13 N 0.00 0.00 -4.77 -3.56 6.09 -1.92 -3.49 117.51 109.86 3d5d h ILE 13 Ca 0.00 -0.32 -0.08 0.00 -1.37 0.00 0.00 64.86 63.09 3d5d h ILE 13 Cb 0.86 0.00 0.07 0.00 0.47 0.00 0.00 36.82 38.22 3d5d h ILE 13 CO 0.00 0.00 -0.28 0.52 -3.07 0.00 0.00 178.15 175.32 3d5d n VAL 14 N -5.13 -7.46 -3.56 2.19 0.31 -0.64 -5.01 118.33 99.02 3d5d n VAL 14 Ca -0.10 -0.54 -0.27 0.00 -0.01 0.00 0.00 64.34 63.41 3d5d n VAL 14 Cb 0.33 -5.85 -0.09 0.00 -0.91 0.00 0.00 33.84 27.31 3d5d n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5d n ALA 15 N -2.10 3.69 -1.61 3.52 0.00 -1.23 -5.04 120.51 117.73 3d5d n ALA 15 Ca -0.02 -4.52 -0.54 0.00 0.00 0.00 0.00 53.44 48.35 3d5d n ALA 15 Cb 0.54 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 3d5d n ALA 15 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d5d n ASN 16 N 1.33 2.45 -4.58 0.00 3.02 -1.26 -4.53 115.26 111.69 3d5d n ASN 16 Ca 0.26 0.85 -0.44 0.00 -0.03 0.00 0.00 54.58 55.22 3d5d n ASN 16 Cb 0.40 -1.21 -0.04 0.00 -0.61 0.00 0.00 39.78 38.33 3d5d n ASN 16 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3d5d n SER 17 N 6.99 3.05 -4.87 6.41 3.41 -1.26 -4.95 113.62 122.41 3d5d n SER 17 Ca 0.31 0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 58.74 3d5d n SER 17 Cb 0.18 -1.52 -0.06 0.00 -0.26 0.00 0.00 64.21 62.55 3d5d n SER 17 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3d5d s ILE 18 N 8.45 5.28 0.23 -1.33 -0.00 -1.22 -4.85 121.20 127.75 3d5d s ILE 18 Ca 1.02 0.39 -0.13 0.00 -0.00 0.00 0.00 60.65 61.93 3d5d s ILE 18 Cb -0.39 -3.56 -0.08 0.00 -0.00 0.00 0.00 42.46 38.43 3d5d s ILE 18 CO 0.36 0.51 0.62 -1.10 -0.00 0.00 0.00 174.94 175.33 3d5d s GLN 19 N -1.33 3.96 0.34 0.37 -0.21 -1.26 -2.52 119.66 119.01 3d5d s GLN 19 Ca 0.23 0.51 -0.04 0.00 0.02 0.00 0.00 55.36 56.08 3d5d s GLN 19 Cb -0.14 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 31.18 3d5d s GLN 19 CO 0.11 0.34 0.51 0.54 -2.12 0.00 0.00 175.29 174.67 3d5d n ARG 20 N 0.19 0.73 -2.60 2.91 3.00 0.12 -4.89 116.66 116.12 3d5d n ARG 20 Ca -0.01 -2.58 -0.41 0.00 -0.01 0.00 0.00 57.85 54.85 3d5d n ARG 20 Cb 0.52 2.57 -0.04 0.00 0.00 0.00 0.00 32.46 35.51 3d5d n ARG 20 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3d5d s ARG 21 N -2.66 4.66 -0.37 5.56 1.81 -1.26 -0.80 118.95 125.90 3d5d s ARG 21 Ca 0.26 1.63 0.03 0.00 -1.72 0.00 0.00 55.73 55.92 3d5d s ARG 21 Cb -0.01 -3.29 0.11 0.00 -0.45 0.00 0.00 34.95 31.30 3d5d s ARG 21 CO 0.18 0.19 0.10 0.20 -0.68 0.00 0.00 175.30 175.30 3d5d s GLY 22 N -0.32 1.83 -0.15 -3.53 0.00 -0.78 -4.86 107.32 99.52 3d5d s GLY 22 Ca 0.47 -2.49 -0.05 0.00 0.00 0.00 0.00 44.72 42.65 3d5d s GLY 22 CO 0.34 1.12 0.02 -1.59 0.00 0.00 0.00 173.10 172.99 3d5d s LYS 23 N 0.82 3.67 -0.23 2.90 -2.85 -1.26 -3.31 119.74 119.48 3d5d s LYS 23 Ca 0.12 -0.40 -0.16 0.00 -1.00 0.00 0.00 55.97 54.53 3d5d s LYS 23 Cb -0.20 -3.04 -0.04 0.00 -2.06 0.00 0.00 37.83 32.49 3d5d s LYS 23 CO -0.10 0.37 0.42 0.00 0.10 0.00 0.00 175.35 176.14 3d5d s ALA 24 N 0.05 3.57 -0.13 0.59 0.00 -0.22 -4.91 121.76 120.70 3d5d s ALA 24 Ca 0.03 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3d5d s ALA 24 Cb -0.13 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.27 3d5d s ALA 24 CO 0.02 -0.49 -0.14 0.15 0.00 0.00 0.00 175.76 175.29 3d5d s LYS 25 N 1.73 3.33 -0.02 0.00 1.02 -1.26 -0.59 119.74 123.95 3d5d s LYS 25 Ca 0.18 -0.71 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 3d5d s LYS 25 Cb -0.15 -2.61 -0.04 0.00 -0.52 0.00 0.00 37.83 34.51 3d5d s LYS 25 CO 0.09 0.16 0.08 0.50 -0.92 0.00 0.00 175.35 175.26 3d5d s ARG 26 N 0.46 3.08 0.00 1.68 3.52 -1.17 -4.98 118.95 121.54 3d5d s ARG 26 Ca -0.10 -0.46 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 3d5d s ARG 26 Cb -0.16 -2.87 0.00 0.00 -1.56 0.00 0.00 34.95 30.36 3d5d s ARG 26 CO 0.05 0.66 0.00 -0.85 -0.81 0.00 0.00 175.30 174.35 3d5d n GLU 27 N 1.32 -0.91 -0.03 5.12 0.00 -1.26 -1.17 120.64 123.70 3d5d n GLU 27 Ca -0.14 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.97 3d5d n GLU 27 Cb 0.53 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.95 3d5d n GLU 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3d5d n GLY 28 N 0.00 -0.08 0.00 -1.84 0.00 -0.63 -4.98 105.19 97.66 3d5d n GLY 28 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3d5d n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5d n GLY 29 N 3.00 3.14 2.40 -0.02 0.00 -0.99 -4.72 105.19 108.00 3d5d n GLY 29 Ca -0.10 -0.87 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 3d5d n GLY 29 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3d5d n VAL 30 N 0.00 2.20 0.00 1.61 0.31 -1.26 -4.70 118.33 116.49 3d5d n VAL 30 Ca 0.00 -4.44 0.00 0.00 -0.01 0.00 0.00 64.34 59.89 3d5d n VAL 30 Cb 0.00 -0.89 0.00 0.00 -0.91 0.00 0.00 33.84 32.04 3d5d n VAL 30 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3d5d n GLY 31 N -0.50 -0.25 2.58 2.92 0.00 -1.26 -5.16 105.19 103.51 3d5d n GLY 31 Ca 0.35 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.41 3d5d n GLY 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3d5d n LYS 32 N -2.20 0.03 -3.62 1.61 4.81 -1.26 -4.98 118.16 112.55 3d5d n LYS 32 Ca 0.00 -0.37 -0.13 0.00 -0.87 0.00 0.00 58.31 56.94 3d5d n LYS 32 Cb 0.00 0.69 -0.07 0.00 0.02 0.00 0.00 35.03 35.67 3d5d n LYS 32 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3d5d s LYS 33 N -2.00 0.80 0.11 1.64 2.20 -1.26 -1.61 119.74 119.62 3d5d s LYS 33 Ca 0.21 0.86 0.02 0.00 -0.36 0.00 0.00 55.97 56.69 3d5d s LYS 33 Cb -0.00 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.70 3d5d s LYS 33 CO -0.02 -0.11 0.11 0.25 -0.36 0.00 0.00 175.35 175.22 3d5d n THR 34 N 2.44 0.00 -3.76 3.43 -2.24 -0.32 -5.01 114.28 108.82 3d5d n THR 34 Ca -0.14 -0.72 -0.06 0.00 -2.27 0.00 0.00 64.05 60.87 3d5d n THR 34 Cb 0.55 0.38 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 3d5d n THR 34 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3d5d n THR 35 N -0.20 0.00 -3.10 4.28 -2.24 -1.26 -3.05 114.28 108.71 3d5d n THR 35 Ca 0.02 -0.67 0.04 0.00 -2.27 0.00 0.00 64.05 61.17 3d5d n THR 35 Cb 0.19 0.41 -0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3d5d n THR 35 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3d5d s GLY 36 N -1.81 -1.13 0.12 3.38 0.00 0.25 -4.81 107.32 103.31 3d5d s GLY 36 Ca 0.11 1.58 -0.06 0.00 0.00 0.00 0.00 44.72 46.34 3d5d s GLY 36 CO 0.08 3.99 0.38 -0.42 0.00 0.00 0.00 173.10 177.13 3d5d s ILE 37 N 2.71 5.15 0.28 0.90 1.01 -1.26 -1.06 121.20 128.93 3d5d s ILE 37 Ca 0.21 0.17 -0.09 0.00 0.00 0.00 0.00 60.65 60.93 3d5d s ILE 37 Cb -0.03 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.81 3d5d s ILE 37 CO -0.21 0.13 0.49 -0.94 0.00 0.00 0.00 174.94 174.40 3d5d s SER 38 N -2.18 0.22 -0.12 3.58 1.04 -1.21 -4.99 113.70 110.05 3d5d s SER 38 Ca 0.38 -1.13 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 3d5d s SER 38 Cb -0.13 0.62 -0.03 0.00 0.10 0.00 0.00 66.02 66.59 3d5d s SER 38 CO 0.22 -1.22 -0.04 -0.54 0.98 0.00 0.00 173.24 172.64 3d5d s LYS 39 N -3.60 3.28 0.02 4.02 1.02 -1.26 -1.86 119.74 121.35 3d5d s LYS 39 Ca 0.25 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.75 3d5d s LYS 39 Cb -0.01 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.49 3d5d s LYS 39 CO 0.13 0.45 -0.06 0.50 -0.92 0.00 0.00 175.35 175.44 3d5d s ARG 40 N -0.21 0.46 -0.39 1.68 3.00 0.02 -4.86 118.95 118.65 3d5d s ARG 40 Ca 0.04 -0.49 -0.16 0.00 -1.00 0.00 0.00 55.73 54.11 3d5d s ARG 40 Cb -0.13 -0.32 0.01 0.00 0.00 0.00 0.00 34.95 34.51 3d5d s ARG 40 CO 0.02 0.07 0.37 0.50 0.00 0.00 0.00 175.30 176.27 3d5d s ARG 41 N -0.93 3.20 -0.61 5.12 3.52 -1.26 0.11 118.95 128.10 3d5d s ARG 41 Ca -0.05 -0.74 -0.23 0.00 -0.13 0.00 0.00 55.73 54.58 3d5d s ARG 41 Cb -0.06 -3.92 0.06 0.00 -1.56 0.00 0.00 34.95 29.46 3d5d s ARG 41 CO 0.00 -0.72 0.93 -0.65 -0.81 0.00 0.00 175.30 174.05 3d5d s GLN 42 N 1.96 3.18 0.48 5.12 -0.21 -1.05 -4.95 119.66 124.20 3d5d s GLN 42 Ca 0.10 -0.66 -0.19 0.00 0.02 0.00 0.00 55.36 54.63 3d5d s GLN 42 Cb -0.17 -4.16 -0.09 0.00 1.00 0.00 0.00 33.01 29.58 3d5d s GLN 42 CO 0.12 -1.67 0.99 0.71 -2.12 0.00 0.00 175.29 173.32 3d5d s TYR 43 N 3.93 3.28 -0.17 0.91 1.51 -1.26 -3.46 117.35 122.08 3d5d s TYR 43 Ca 0.24 1.55 -0.16 0.00 -1.01 0.00 0.00 57.07 57.69 3d5d s TYR 43 Cb -0.16 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 3d5d s TYR 43 CO 0.13 -0.40 0.41 -1.25 -1.11 0.00 0.00 175.55 173.33 3d5d s PRO 44 N -3.58 4.23 -0.36 -1.71 0.04 -1.26 -5.00 135.00 127.36 3d5d s PRO 44 Ca 0.62 0.26 -0.36 0.00 0.04 0.00 0.00 61.00 61.55 3d5d s PRO 44 Cb -0.11 -3.50 -0.12 0.00 0.04 0.00 0.00 34.50 30.81 3d5d s PRO 44 CO 0.23 0.05 2.18 -1.71 0.04 0.00 0.00 177.00 177.79 3d5d n ASN 45 N 4.15 2.00 -3.90 6.66 4.05 -1.26 -4.90 115.26 122.06 3d5d n ASN 45 Ca -0.08 0.44 -0.25 0.00 0.45 0.00 0.00 54.58 55.14 3d5d n ASN 45 Cb 0.51 -1.23 -0.17 0.00 1.23 0.00 0.00 39.78 40.13 3d5d n ASN 45 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 177.26 173.99 3d5d s LEU 46 N 7.16 1.18 0.35 1.20 0.20 -1.26 0.32 118.68 127.83 3d5d s LEU 46 Ca 1.10 -0.24 0.09 0.00 0.69 0.00 0.00 54.13 55.78 3d5d s LEU 46 Cb -0.92 -0.71 -0.07 0.00 -0.43 0.00 0.00 46.19 44.06 3d5d s LEU 46 CO 0.51 -0.10 -0.08 -1.10 -0.29 0.00 0.00 176.35 175.29 3d5d s GLN 47 N 1.45 1.83 0.04 1.98 -1.52 0.97 -4.93 119.66 119.48 3d5d s GLN 47 Ca -0.01 -1.96 -0.16 0.00 -1.95 0.00 0.00 55.36 51.28 3d5d s GLN 47 Cb -0.13 -1.67 -0.06 0.00 -0.22 0.00 0.00 33.01 30.92 3d5d s GLN 47 CO -0.04 0.11 0.47 0.15 -0.25 0.00 0.00 175.29 175.73 3d5d s LYS 48 N -3.63 4.02 -0.26 2.91 1.02 -1.26 -2.03 119.74 120.51 3d5d s LYS 48 Ca 0.33 0.53 -0.01 0.00 0.02 0.00 0.00 55.97 56.83 3d5d s LYS 48 Cb 0.04 -3.20 0.08 0.00 -0.52 0.00 0.00 37.83 34.22 3d5d s LYS 48 CO 0.17 0.66 0.05 0.08 -0.92 0.00 0.00 175.35 175.38 3d5d s VAL 49 N -1.12 0.88 0.06 3.17 1.01 -0.57 -4.96 120.40 118.87 3d5d s VAL 49 Ca 0.27 -1.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.02 3d5d s VAL 49 Cb -0.18 -1.48 -0.06 0.00 0.00 0.00 0.00 36.38 34.66 3d5d s VAL 49 CO 0.16 -0.42 0.45 -0.13 0.00 0.00 0.00 175.10 175.16 3d5d s ARG 50 N 1.66 3.91 0.01 2.72 0.52 -1.26 -1.07 118.95 125.43 3d5d s ARG 50 Ca 0.03 0.39 -0.18 0.00 -0.52 0.00 0.00 55.73 55.45 3d5d s ARG 50 Cb -0.17 -3.10 0.03 0.00 0.52 0.00 0.00 34.95 32.23 3d5d s ARG 50 CO -0.16 0.61 0.40 0.54 0.02 0.00 0.00 175.30 176.71 3d5d s VAL 51 N -1.25 0.05 0.00 3.52 0.11 -0.65 -5.01 120.40 117.17 3d5d s VAL 51 Ca 0.30 -0.42 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3d5d s VAL 51 Cb -0.16 -0.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.86 3d5d s VAL 51 CO 0.16 -0.23 0.53 0.54 -3.33 0.00 0.00 175.10 172.77 3d5d n ARG 52 N 0.85 0.00 -2.42 1.54 5.12 -1.26 -2.07 116.66 118.42 3d5d n ARG 52 Ca -0.20 0.13 -0.05 0.00 -1.93 0.00 0.00 57.85 55.80 3d5d n ARG 52 Cb 0.58 -1.05 -0.04 0.00 -1.16 0.00 0.00 32.46 30.79 3d5d n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3d5d n VAL 53 N -0.88-11.66 -0.38 1.55 0.31 -1.26 -3.90 118.33 102.11 3d5d n VAL 53 Ca 0.00 2.46 0.00 0.00 -0.01 0.00 0.00 64.34 66.79 3d5d n VAL 53 Cb 0.00 -6.12 0.00 0.00 -0.91 0.00 0.00 33.84 26.81 3d5d n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3d5d n ALA 54 N 1.49 0.00 -1.45 3.52 0.00 -1.26 -4.44 120.51 118.37 3d5d n ALA 54 Ca -0.35 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 52.79 3d5d n ALA 54 Cb 0.53 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.07 3d5d n ALA 54 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3d5d s GLY 55 N -0.08 1.64 0.11 0.00 0.00 -1.26 -4.89 107.32 102.85 3d5d s GLY 55 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 44.72 44.69 3d5d s GLY 55 CO 0.00 0.36 0.00 -1.06 0.00 0.00 0.00 173.10 172.40 3d5d n GLN 56 N -3.44 -0.99 -1.55 2.90 1.13 -1.26 -4.95 117.38 109.22 3d5d n GLN 56 Ca 0.07 0.65 0.00 0.00 -1.94 0.00 0.00 57.00 55.79 3d5d n GLN 56 Cb 0.55 -1.21 0.00 0.00 0.11 0.00 0.00 30.24 29.69 3d5d n GLN 56 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3d5d n GLU 57 N -2.55 2.25 -3.65 -1.09 1.02 -1.25 -4.45 120.64 110.92 3d5d n GLU 57 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 3d5d n GLU 57 Cb 0.22 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.58 3d5d n GLU 57 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3d5d s ILE 58 N -0.44 0.00 0.06 -3.67 2.07 -0.88 -4.93 121.20 113.42 3d5d s ILE 58 Ca 0.00 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.28 3d5d s ILE 58 Cb 0.00 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.55 3d5d s ILE 58 CO 0.00 0.00 -0.03 0.42 -1.91 0.00 0.00 174.94 173.42 3d5d s THR 59 N 0.43 3.87 -0.24 4.00 -4.23 -1.26 -1.64 115.64 116.56 3d5d s THR 59 Ca 0.01 -0.92 -0.01 0.00 -1.18 0.00 0.00 61.69 59.59 3d5d s THR 59 Cb -0.04 -2.78 0.07 0.00 1.34 0.00 0.00 72.50 71.09 3d5d s THR 59 CO -0.13 0.22 0.03 -0.36 -0.54 0.00 0.00 174.62 173.85 3d5d s PHE 60 N -1.19 1.55 -1.08 3.99 2.99 -0.23 -4.96 117.98 119.05 3d5d s PHE 60 Ca 0.22 -1.33 -0.11 0.00 0.00 0.00 0.00 56.93 55.71 3d5d s PHE 60 Cb -0.11 -1.36 -0.07 0.00 0.00 0.00 0.00 43.02 41.47 3d5d s PHE 60 CO 0.14 -0.73 2.25 -2.13 -0.00 0.00 0.00 175.22 174.75 3d5d n ARG 61 N 4.90 2.36 -2.90 0.44 3.00 -1.26 -1.51 116.66 121.69 3d5d n ARG 61 Ca -0.07 -1.81 -0.19 0.00 -0.00 0.00 0.00 57.85 55.77 3d5d n ARG 61 Cb 0.45 -2.72 0.03 0.00 0.00 0.00 0.00 32.46 30.23 3d5d n ARG 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3d5d s VAL 62 N 3.50 2.70 0.74 5.15 0.11 -0.86 -4.62 120.40 127.11 3d5d s VAL 62 Ca 0.50 -0.89 -0.07 0.00 -2.93 0.00 0.00 61.98 58.59 3d5d s VAL 62 Cb 0.13 -2.81 0.09 0.00 -1.53 0.00 0.00 36.38 32.26 3d5d s VAL 62 CO -0.01 0.00 1.06 0.00 -3.33 0.00 0.00 175.10 172.81 3d5d s ALA 63 N -2.56 3.11 0.12 1.54 0.00 -1.26 -0.02 121.76 122.68 3d5d s ALA 63 Ca 0.58 -1.09 -0.10 0.00 0.00 0.00 0.00 51.96 51.35 3d5d s ALA 63 Cb -0.09 -2.53 -0.10 0.00 0.00 0.00 0.00 23.12 20.40 3d5d s ALA 63 CO 0.36 -1.49 1.34 0.00 0.00 0.00 0.00 175.76 175.97 3d5d h ALA 64 N -0.74 0.38 0.06 0.00 0.00 -0.48 -3.30 119.26 115.19 3d5d h ALA 64 Ca -0.43 -0.60 0.02 0.00 0.00 0.00 0.00 54.91 53.90 3d5d h ALA 64 Cb 1.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3d5d h ALA 64 CO 0.54 0.70 -0.16 1.03 0.00 0.00 0.00 179.25 181.36 3d5d h SER 65 N 0.49 -0.44 -0.82 0.00 0.87 -1.95 -3.15 113.55 108.54 3d5d h SER 65 Ca -0.04 0.06 -0.53 0.00 -1.23 0.00 0.00 61.79 60.04 3d5d h SER 65 Cb 1.37 0.17 -0.24 0.00 -0.44 0.00 0.00 62.40 63.26 3d5d h SER 65 CO 0.15 -0.23 0.69 1.41 -0.53 0.00 0.00 176.83 178.32 3d5d n HIS 66 N -5.29 2.64 0.15 2.24 -0.00 -1.24 -4.58 115.22 109.14 3d5d n HIS 66 Ca -0.06 -2.45 -0.13 0.00 -0.00 0.00 0.00 57.72 55.07 3d5d n HIS 66 Cb 0.20 -1.19 -0.08 0.00 -0.00 0.00 0.00 29.99 28.92 3d5d n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3d5d h ILE 67 N 0.96 0.75 -0.97 1.59 2.04 -1.62 -3.19 117.51 117.08 3d5d h ILE 67 Ca 0.51 -0.55 0.08 0.00 1.00 0.00 0.00 64.86 65.89 3d5d h ILE 67 Cb 1.20 1.05 -0.07 0.00 -0.74 0.00 0.00 36.82 38.26 3d5d h ILE 67 CO 1.23 0.11 0.62 1.55 0.00 0.00 0.00 178.15 181.66 3d5d h PRO 68 N -0.68 1.05 -1.26 2.37 0.13 -1.88 -1.43 132.00 130.30 3d5d h PRO 68 Ca -0.04 -0.06 0.38 0.00 -0.87 0.00 0.00 66.00 65.41 3d5d h PRO 68 Cb 0.47 -0.24 -0.11 0.00 0.13 0.00 0.00 31.00 31.26 3d5d h PRO 68 CO 0.06 0.69 0.83 -0.22 -0.23 0.00 0.00 178.00 179.14 3d5d h LYS 69 N 1.08 0.16 0.52 0.86 1.63 -1.88 0.36 116.57 119.29 3d5d h LYS 69 Ca 0.44 -0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 60.20 3d5d h LYS 69 Cb 0.26 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3d5d h LYS 69 CO -0.20 0.11 -0.25 0.28 -3.45 0.00 0.00 179.45 175.93 3d5d h VAL 70 N 0.16 0.00 -0.30 2.00 2.07 -1.34 -0.65 116.25 118.19 3d5d h VAL 70 Ca 0.73 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 68.16 3d5d h VAL 70 Cb 2.29 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3d5d h VAL 70 CO -0.31 0.00 0.20 1.88 0.02 0.00 0.00 177.57 179.36 3d5d h TYR 71 N -0.82 0.28 -0.67 1.57 -1.99 -1.03 0.30 116.97 114.62 3d5d h TYR 71 Ca -0.07 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 3d5d h TYR 71 Cb 0.54 -0.09 -0.03 0.00 2.00 0.00 0.00 36.73 39.14 3d5d h TYR 71 CO 0.07 0.17 0.39 1.49 -0.00 0.00 0.00 178.16 180.28 3d5d h GLU 72 N 0.30 0.91 -0.51 4.88 4.22 -0.38 -2.22 114.58 121.79 3d5d h GLU 72 Ca 0.12 -0.09 -0.07 0.00 0.08 0.00 0.00 59.36 59.40 3d5d h GLU 72 Cb 0.12 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3d5d h GLU 72 CO -0.03 0.66 0.03 1.25 -2.18 0.00 0.00 179.01 178.74 3d5d h LEU 73 N 0.91 0.81 -2.23 1.64 6.46 0.11 -1.67 115.31 121.34 3d5d h LEU 73 Ca 0.24 -0.19 0.02 0.00 -0.12 0.00 0.00 57.88 57.83 3d5d h LEU 73 Cb -0.01 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 3d5d h LEU 73 CO -0.04 0.86 0.05 0.58 -0.62 0.00 0.00 178.44 179.26 3d5d h VAL 74 N 0.79 0.72 -0.05 1.05 2.07 -0.38 -0.81 116.25 119.63 3d5d h VAL 74 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3d5d h VAL 74 Cb 0.44 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3d5d h VAL 74 CO 0.02 0.00 -0.05 -0.08 0.02 0.00 0.00 177.57 177.48 3d5d h GLU 75 N 0.00 0.13 0.00 1.57 4.57 -0.77 -2.69 114.58 117.38 3d5d h GLU 75 Ca 0.03 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3d5d h GLU 75 Cb 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.72 3d5d h GLU 75 CO -0.00 0.56 0.00 0.00 -1.18 0.00 0.00 179.01 178.39 3d5d h ARG 76 N -0.30 0.00 0.00 1.92 2.47 -1.03 -1.99 114.38 115.45 3d5d h ARG 76 Ca 0.01 0.00 -0.08 0.00 -1.26 0.00 0.00 59.98 58.65 3d5d h ARG 76 Cb 0.53 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 3d5d h ARG 76 CO 0.01 0.00 -0.40 0.00 0.56 0.00 0.00 179.97 180.14 3d5d h ALA 77 N 2.01 0.84 -0.05 0.04 0.00 -0.86 -2.95 119.26 118.29 3d5d h ALA 77 Ca 0.00 -0.36 -0.05 0.00 0.00 0.00 0.00 54.91 54.50 3d5d h ALA 77 Cb 0.11 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3d5d h ALA 77 CO 0.00 0.50 -0.18 0.87 0.00 0.00 0.00 179.25 180.43 3d5d h LYS 78 N 0.00 0.08 -0.93 0.00 1.79 -1.30 -0.46 116.57 115.76 3d5d h LYS 78 Ca -0.00 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3d5d h LYS 78 Cb 1.11 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.75 3d5d h LYS 78 CO 0.05 0.27 0.00 0.41 -1.08 0.00 0.00 179.45 179.11 3d5d n GLY 79 N -0.90 1.80 3.42 3.86 0.00 -1.11 -4.82 105.19 107.43 3d5d n GLY 79 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 3d5d n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3d5d s LEU 80 N -0.51 2.53 -0.29 0.99 1.43 -0.18 -5.12 118.68 117.53 3d5d s LEU 80 Ca 0.10 -0.98 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 3d5d s LEU 80 Cb 0.08 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.37 3d5d s LEU 80 CO 0.03 -0.00 -0.03 -0.60 0.23 0.00 0.00 176.35 175.98 3d5d s ARG 81 N -3.29 2.31 0.05 1.70 3.52 -1.26 -5.03 118.95 116.95 3d5d s ARG 81 Ca 0.25 -1.34 -0.04 0.00 -0.13 0.00 0.00 55.73 54.47 3d5d s ARG 81 Cb -0.05 -3.10 -0.02 0.00 -1.56 0.00 0.00 34.95 30.23 3d5d s ARG 81 CO 0.11 -0.63 0.06 -0.51 -0.81 0.00 0.00 175.30 173.51 3d5d s LEU 82 N 1.18 2.01 0.00 -0.88 1.02 -1.26 -5.16 118.68 115.58 3d5d s LEU 82 Ca -0.05 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.42 3d5d s LEU 82 Cb -0.20 0.48 0.00 0.00 0.02 0.00 0.00 46.19 46.49 3d5d s LEU 82 CO -0.03 -0.54 0.00 1.21 0.02 0.00 0.00 176.35 177.01 3d5d n GLU 83 N 0.56 -0.35 -1.79 1.70 2.13 -1.26 -4.84 120.64 116.79 3d5d n GLU 83 Ca -0.18 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.64 3d5d n GLU 83 Cb 0.59 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.30 3d5d n GLU 83 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3d5d n GLY 84 N -0.46 -2.22 3.41 8.31 0.00 -1.26 -4.70 105.19 108.27 3d5d n GLY 84 Ca 0.00 0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3d5d n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3d5d n LEU 85 N -0.09 -2.93 -2.76 0.99 4.77 -1.26 -4.95 117.00 110.77 3d5d n LEU 85 Ca 0.01 0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.83 3d5d n LEU 85 Cb 0.04 -1.63 -0.00 0.00 -2.33 0.00 0.00 43.42 39.50 3d5d n LEU 85 CO 0.11 -0.47 -0.02 -1.20 -1.33 0.00 0.00 177.39 174.47 3d5d n SER 86 N 0.25 2.66 0.00 -1.43 7.64 -1.26 -4.95 113.62 116.53 3d5d n SER 86 Ca -0.06 -3.19 0.00 0.00 1.01 0.00 0.00 58.87 56.63 3d5d n SER 86 Cb 0.62 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 3d5d n SER 86 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 3d5d n PRO 87 N -0.13 0.00 -0.04 1.43 -0.04 -1.26 -2.06 135.00 132.89 3d5d n PRO 87 Ca 0.24 0.27 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 3d5d n PRO 87 Cb 0.68 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.90 3d5d n PRO 87 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3d5d h LYS 88 N 0.00 0.25 -0.30 0.54 3.64 -1.96 -3.25 116.57 115.49 3d5d h LYS 88 Ca 0.00 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3d5d h LYS 88 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3d5d h LYS 88 CO 0.00 0.60 0.33 1.05 -2.27 0.00 0.00 179.45 179.16 3d5d h GLU 89 N -0.11 0.00 -0.13 1.90 4.11 -1.93 0.46 114.58 118.88 3d5d h GLU 89 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.45 3d5d h GLU 89 Cb 0.53 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3d5d h GLU 89 CO 0.02 0.00 0.07 0.82 0.07 0.00 0.00 179.01 179.99 3d5d h ILE 90 N 0.00 1.10 -0.06 -1.06 1.08 -1.44 -1.82 117.51 115.31 3d5d h ILE 90 Ca 0.14 -0.28 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 3d5d h ILE 90 Cb 0.79 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.55 3d5d h ILE 90 CO -0.00 0.09 -0.22 0.11 -0.69 0.00 0.00 178.15 177.44 3d5d h LYS 91 N 0.10 -0.31 0.60 2.37 1.57 -1.06 0.72 116.57 120.56 3d5d h LYS 91 Ca 0.04 0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3d5d h LYS 91 Cb 0.09 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.47 3d5d h LYS 91 CO -0.01 -0.21 -0.35 -0.22 -0.57 0.00 0.00 179.45 178.09 3d5d h LYS 92 N -0.32 -0.85 0.00 3.15 1.63 -1.55 -0.24 116.57 118.39 3d5d h LYS 92 Ca 0.08 0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3d5d h LYS 92 Cb 0.43 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 3d5d h LYS 92 CO -0.24 -0.57 0.01 0.39 -3.45 0.00 0.00 179.45 175.59 3d5d n GLU 93 N -4.60 0.00 -2.74 1.90 -0.58 -0.69 -2.81 120.64 111.12 3d5d n GLU 93 Ca -0.11 0.17 -0.42 0.00 -0.42 0.00 0.00 57.16 56.38 3d5d n GLU 93 Cb 0.36 -1.51 0.01 0.00 -0.57 0.00 0.00 31.44 29.74 3d5d n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 3d5d n LEU 94 N -1.15 6.78 0.00 -4.62 7.94 0.25 -5.03 117.00 121.17 3d5d n LEU 94 Ca 0.00 -5.13 0.00 0.00 -1.11 0.00 0.00 56.01 49.77 3d5d n LEU 94 Cb 0.01 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 42.67 3d5d n LEU 94 CO 0.00 1.74 0.00 -0.11 -1.11 0.00 0.00 177.39 177.91