#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4d s SER 2 N 0.00 -0.27 1.07 1.61 0.01 -1.26 -5.17 113.70 109.69 1x4d s SER 2 Ca 0.00 -0.29 -0.14 0.00 1.31 0.00 0.00 55.95 56.83 1x4d s SER 2 Cb 0.00 0.49 0.22 0.00 0.21 0.00 0.00 66.02 66.94 1x4d s SER 2 CO 0.00 -0.87 1.09 -0.44 0.41 0.00 0.00 173.24 173.43 1x4d s SER 3 N -2.80 2.02 0.86 2.44 0.01 -1.26 -5.04 113.70 109.93 1x4d s SER 3 Ca 0.03 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.36 1x4d s SER 3 Cb 0.02 -1.66 0.00 0.00 0.21 0.00 0.00 66.02 64.58 1x4d s SER 3 CO -0.12 -3.49 0.00 0.61 0.41 0.00 0.00 173.24 170.65 1x4d n GLY 4 N -0.87 -2.93 3.50 3.44 0.00 -1.26 -5.08 105.19 101.98 1x4d n GLY 4 Ca 0.06 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.68 1x4d n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4d s SER 5 N -1.71 -0.79 0.16 1.61 1.04 -1.26 -5.16 113.70 107.59 1x4d s SER 5 Ca 0.00 1.33 -0.14 0.00 0.48 0.00 0.00 55.95 57.62 1x4d s SER 5 Cb 0.00 1.72 -0.07 0.00 0.10 0.00 0.00 66.02 67.77 1x4d s SER 5 CO 0.00 -0.22 0.57 -0.94 0.98 0.00 0.00 173.24 173.62 1x4d s SER 6 N 2.45 6.83 0.00 7.02 1.04 -1.26 -5.02 113.70 124.76 1x4d s SER 6 Ca -0.06 1.10 0.00 0.00 0.48 0.00 0.00 55.95 57.47 1x4d s SER 6 Cb -0.10 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1x4d s SER 6 CO -0.17 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.75 1x4d n GLY 7 N 0.73 0.61 3.84 7.32 0.00 -1.26 -5.16 105.19 111.27 1x4d n GLY 7 Ca -0.05 0.48 -0.33 0.00 0.00 0.00 0.00 46.02 46.12 1x4d n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x4d s GLN 8 N -0.01 4.04 -0.39 1.61 -0.21 -1.26 -5.04 119.66 118.40 1x4d s GLN 8 Ca 0.00 0.68 -0.01 0.00 0.02 0.00 0.00 55.36 56.05 1x4d s GLN 8 Cb 0.00 -2.57 0.19 0.00 1.00 0.00 0.00 33.01 31.63 1x4d s GLN 8 CO 0.00 0.24 0.89 0.15 -2.12 0.00 0.00 175.29 174.44 1x4d s LYS 9 N -2.70 0.53 1.67 2.91 -0.14 -1.26 -5.15 119.74 115.61 1x4d s LYS 9 Ca 0.50 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 1x4d s LYS 9 Cb -0.12 0.02 0.00 0.00 -1.68 0.00 0.00 37.83 36.05 1x4d s LYS 9 CO 0.19 -0.71 0.00 0.41 -0.76 0.00 0.00 175.35 174.47 1x4d n GLY 10 N 3.49 -1.36 3.31 -3.33 0.00 -1.26 -4.99 105.19 101.04 1x4d n GLY 10 Ca 0.11 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1x4d n GLY 10 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4d s ARG 11 N 0.00 0.95 -0.26 1.61 6.06 -1.26 -5.15 118.95 120.90 1x4d s ARG 11 Ca 0.00 -0.52 -0.02 0.00 -2.50 0.00 0.00 55.73 52.70 1x4d s ARG 11 Cb 0.00 0.42 0.12 0.00 0.06 0.00 0.00 34.95 35.55 1x4d s ARG 11 CO 0.00 -0.34 0.28 0.14 -2.50 0.00 0.00 175.30 172.89 1x4d s VAL 12 N -2.96 -0.41 -0.57 7.11 -7.23 -1.26 -5.11 120.40 109.98 1x4d s VAL 12 Ca -0.02 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1x4d s VAL 12 Cb 0.00 -0.87 0.06 0.00 0.56 0.00 0.00 36.38 36.13 1x4d s VAL 12 CO -0.06 -0.35 0.80 -0.70 -0.31 0.00 0.00 175.10 174.49 1x4d s GLU 13 N 2.38 3.16 0.37 4.82 2.12 -1.26 -5.02 118.70 125.27 1x4d s GLU 13 Ca 0.09 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.65 1x4d s GLU 13 Cb -0.15 -4.14 -0.00 0.00 0.26 0.00 0.00 34.13 30.10 1x4d s GLU 13 CO -0.25 -1.49 0.02 -2.37 -0.54 0.00 0.00 175.26 170.64 1x4d n THR 14 N 5.83 0.00 -0.90 -1.70 5.66 -1.26 -5.12 114.28 116.79 1x4d n THR 14 Ca -0.04 -1.81 -0.36 0.00 -3.05 0.00 0.00 64.05 58.79 1x4d n THR 14 Cb 0.45 0.42 0.08 0.00 -1.55 0.00 0.00 70.33 69.73 1x4d n THR 14 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1x4d n ARG 15 N -0.91 -0.35 -3.65 1.09 5.12 -1.26 -4.74 116.66 111.96 1x4d n ARG 15 Ca -0.14 -0.09 -0.39 0.00 -1.93 0.00 0.00 57.85 55.30 1x4d n ARG 15 Cb 0.48 -1.28 -0.11 0.00 -1.16 0.00 0.00 32.46 30.40 1x4d n ARG 15 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1x4d s ARG 16 N -2.55 2.58 -0.27 5.56 3.00 -1.26 -4.70 118.95 121.31 1x4d s ARG 16 Ca 0.45 -1.40 -0.04 0.00 0.00 0.00 0.00 55.73 54.74 1x4d s ARG 16 Cb -0.08 -3.69 0.10 0.00 0.00 0.00 0.00 34.95 31.28 1x4d s ARG 16 CO 0.72 -0.88 0.15 0.08 0.00 0.00 0.00 175.30 175.36 1x4d s VAL 17 N 1.41 -0.12 -0.51 3.52 1.01 -1.26 -3.46 120.40 120.99 1x4d s VAL 17 Ca 0.02 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 1x4d s VAL 17 Cb -0.22 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.29 1x4d s VAL 17 CO 0.02 -0.62 0.73 0.54 0.00 0.00 0.00 175.10 175.77 1x4d s VAL 18 N 2.14 4.71 0.03 2.92 0.11 -0.13 -0.36 120.40 129.83 1x4d s VAL 18 Ca 0.08 -0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 1x4d s VAL 18 Cb -0.16 -4.37 -0.04 0.00 -1.53 0.00 0.00 36.38 30.28 1x4d s VAL 18 CO -0.32 -0.88 0.92 -2.28 -3.33 0.00 0.00 175.10 169.21 1x4d s HIS 19 N 3.08 3.71 -0.07 1.54 2.46 0.32 -2.16 115.29 124.16 1x4d s HIS 19 Ca 0.21 1.66 0.03 0.00 0.47 0.00 0.00 55.06 57.43 1x4d s HIS 19 Cb -0.16 -3.03 0.01 0.00 -0.13 0.00 0.00 32.58 29.26 1x4d s HIS 19 CO 0.15 0.10 -0.16 0.42 -2.47 0.00 0.00 174.74 172.79 1x4d s ILE 20 N 0.54 1.39 0.42 0.89 1.01 -0.12 -0.72 121.20 124.62 1x4d s ILE 20 Ca 0.47 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.53 1x4d s ILE 20 Cb -0.21 -1.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1x4d s ILE 20 CO 0.27 0.41 0.14 -0.04 0.00 0.00 0.00 174.94 175.72 1x4d s MET 21 N 0.57 1.98 -1.16 2.79 -1.94 -0.38 -1.98 119.30 119.17 1x4d s MET 21 Ca -0.16 -2.22 0.00 0.00 -1.71 0.00 0.00 55.69 51.60 1x4d s MET 21 Cb -0.16 -0.57 0.00 0.00 2.01 0.00 0.00 34.83 36.10 1x4d s MET 21 CO 0.05 -0.52 0.00 -0.25 -0.01 0.00 0.00 175.02 174.29 1x4d n ASP 22 N -1.42 -5.58 -4.79 3.03 8.00 -1.24 -1.50 116.55 113.04 1x4d n ASP 22 Ca -0.06 0.27 -0.36 0.00 0.71 0.00 0.00 54.79 55.35 1x4d n ASP 22 Cb 0.65 -4.05 -0.07 0.00 -0.02 0.00 0.00 41.12 37.63 1x4d n ASP 22 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1x4d s PHE 23 N -1.99 3.50 0.28 1.24 -0.12 -1.26 -4.54 117.98 115.10 1x4d s PHE 23 Ca 0.00 0.45 0.01 0.00 -0.05 0.00 0.00 56.93 57.34 1x4d s PHE 23 Cb 0.00 -2.09 0.05 0.00 -0.63 0.00 0.00 43.02 40.35 1x4d s PHE 23 CO 0.00 0.47 0.39 1.04 -0.05 0.00 0.00 175.22 177.07 1x4d n GLN 24 N 2.87 0.48 -4.34 1.99 1.13 -1.26 -4.67 117.38 113.59 1x4d n GLN 24 Ca -0.17 -1.18 -0.17 0.00 -1.94 0.00 0.00 57.00 53.53 1x4d n GLN 24 Cb 0.53 -0.22 -0.10 0.00 0.11 0.00 0.00 30.24 30.56 1x4d n GLN 24 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1x4d s ARG 25 N -3.37 1.34 0.00 -1.09 0.52 -1.26 -4.99 118.95 110.10 1x4d s ARG 25 Ca 0.27 -1.67 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1x4d s ARG 25 Cb -0.02 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.75 1x4d s ARG 25 CO 0.18 -0.06 0.00 0.41 0.02 0.00 0.00 175.30 175.85 1x4d n GLY 26 N -0.42 -1.18 3.50 -3.53 0.00 -1.26 -5.04 105.19 97.26 1x4d n GLY 26 Ca -0.06 0.59 -0.35 0.00 0.00 0.00 0.00 46.02 46.21 1x4d n GLY 26 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4d s LYS 27 N 0.00 3.72 -1.39 1.61 2.20 -1.26 -4.51 119.74 120.11 1x4d s LYS 27 Ca 0.00 -0.46 -0.10 0.00 -0.36 0.00 0.00 55.97 55.04 1x4d s LYS 27 Cb 0.00 -3.16 0.07 0.00 -1.51 0.00 0.00 37.83 33.23 1x4d s LYS 27 CO 0.00 0.05 0.61 0.09 -0.36 0.00 0.00 175.35 175.74 1x4d n ASN 28 N 4.16 -4.21 0.27 1.43 4.13 -1.26 -4.87 115.26 114.92 1x4d n ASN 28 Ca -0.17 -0.48 -0.18 0.00 1.68 0.00 0.00 54.58 55.43 1x4d n ASN 28 Cb 0.52 -3.44 -0.09 0.00 -1.54 0.00 0.00 39.78 35.23 1x4d n ASN 28 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 1x4d h LEU 29 N -1.25 -1.31 -1.22 3.41 7.12 -1.94 -1.68 115.31 118.44 1x4d h LEU 29 Ca -0.48 0.11 0.44 0.00 0.13 0.00 0.00 57.88 58.09 1x4d h LEU 29 Cb 1.32 0.44 -0.15 0.00 -0.53 0.00 0.00 40.66 41.74 1x4d h LEU 29 CO 0.58 -0.63 0.75 -1.14 -0.13 0.00 0.00 178.44 177.87 1x4d n ARG 30 N -5.54 -0.04 -0.05 1.25 0.63 -1.26 0.21 116.66 111.85 1x4d n ARG 30 Ca -0.11 1.25 -0.16 0.00 -0.92 0.00 0.00 57.85 57.91 1x4d n ARG 30 Cb 0.44 -2.39 -0.05 0.00 0.45 0.00 0.00 32.46 30.91 1x4d n ARG 30 CO 0.00 0.00 0.00 -0.92 -2.51 0.00 0.00 177.63 174.20 1x4d h TYR 31 N 0.00 1.09 -0.90 -0.14 5.03 -1.70 -1.33 116.97 119.02 1x4d h TYR 31 Ca 0.84 -0.43 0.09 0.00 2.58 0.00 0.00 58.73 61.81 1x4d h TYR 31 Cb 2.56 -0.19 -0.06 0.00 1.55 0.00 0.00 36.73 40.59 1x4d h TYR 31 CO -0.01 1.27 0.58 1.96 -1.32 0.00 0.00 178.16 180.64 1x4d h GLN 32 N 0.61 0.88 0.20 1.82 1.08 0.30 0.68 115.11 120.69 1x4d h GLN 32 Ca -0.02 -0.05 -0.28 0.00 -1.45 0.00 0.00 58.65 56.84 1x4d h GLN 32 Cb 1.28 -0.20 0.03 0.00 -0.05 0.00 0.00 27.48 28.54 1x4d h GLN 32 CO 0.14 0.58 -1.28 -0.07 -0.95 0.00 0.00 178.83 177.26 1x4d h LEU 33 N 0.91 0.68 -1.53 1.46 3.38 -1.38 -3.29 115.31 115.54 1x4d h LEU 33 Ca 0.41 -0.93 -0.03 0.00 0.09 0.00 0.00 57.88 57.42 1x4d h LEU 33 Cb 0.39 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1x4d h LEU 33 CO -0.18 1.61 -0.15 -0.07 0.09 0.00 0.00 178.44 179.74 1x4d h LEU 34 N -0.06 0.00 -0.24 1.67 3.38 -0.73 -2.13 115.31 117.20 1x4d h LEU 34 Ca -0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1x4d h LEU 34 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1x4d h LEU 34 CO 0.21 0.15 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1x4d n GLN 35 N -3.43 0.09 0.12 1.13 -0.00 0.23 0.45 117.38 115.98 1x4d n GLN 35 Ca -0.01 0.27 0.13 0.00 -0.00 0.00 0.00 57.00 57.39 1x4d n GLN 35 Cb 0.33 -1.66 0.29 0.00 -0.00 0.00 0.00 30.24 29.20 1x4d n GLN 35 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.06 176.99 1x4d h LEU 36 N 0.00 0.00 0.00 2.61 3.38 -1.50 -3.36 115.31 116.44 1x4d h LEU 36 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1x4d h LEU 36 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1x4d h LEU 36 CO 0.00 0.02 -0.79 1.33 0.09 0.00 0.00 178.44 179.09 1x4d n VAL 37 N -2.41 0.00 -0.05 1.22 0.24 -0.95 -4.72 118.33 111.67 1x4d n VAL 37 Ca 0.04 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.20 1x4d n VAL 37 Cb 0.46 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.66 1x4d n VAL 37 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 1x4d h GLU 38 N 0.00 -0.50 0.00 7.34 4.39 -0.14 0.41 114.58 126.08 1x4d h GLU 38 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1x4d h GLU 38 Cb 0.31 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1x4d h GLU 38 CO 0.00 -0.33 0.00 -0.35 -1.16 0.00 0.00 179.01 177.17 1x4d n PRO 39 N -5.36 0.49 -0.01 2.33 -0.04 -1.26 -1.99 135.00 129.17 1x4d n PRO 39 Ca -0.05 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.48 1x4d n PRO 39 Cb 0.36 -1.39 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 1x4d n PRO 39 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1x4d n PHE 40 N -0.89 0.00 -2.19 0.54 3.01 0.11 -5.09 117.46 112.95 1x4d n PHE 40 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1x4d n PHE 40 Cb 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 39.48 39.21 1x4d n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1x4d n GLY 41 N 1.72 1.01 3.81 1.37 0.00 0.57 -4.60 105.19 109.08 1x4d n GLY 41 Ca -0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 1x4d n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4d s VAL 42 N -1.24 4.65 -0.41 1.61 0.11 -1.26 -4.53 120.40 119.33 1x4d s VAL 42 Ca 0.00 -0.91 -0.19 0.00 -2.93 0.00 0.00 61.98 57.96 1x4d s VAL 42 Cb 0.00 -3.33 0.01 0.00 -1.53 0.00 0.00 36.38 31.54 1x4d s VAL 42 CO 0.00 -0.02 0.54 -0.63 -3.33 0.00 0.00 175.10 171.65 1x4d s ILE 43 N -1.63 4.97 -0.21 7.04 -1.09 -1.26 -3.28 121.20 125.73 1x4d s ILE 43 Ca 0.31 0.02 -0.19 0.00 -2.23 0.00 0.00 60.65 58.56 1x4d s ILE 43 Cb -0.11 -4.08 -0.19 0.00 -1.58 0.00 0.00 42.46 36.50 1x4d s ILE 43 CO 0.24 -0.43 0.15 -1.20 -1.23 0.00 0.00 174.94 172.47 1x4d n SER 44 N 5.89 1.90 -3.60 3.58 7.64 -0.53 -4.89 113.62 123.61 1x4d n SER 44 Ca -0.04 0.39 -0.01 0.00 1.01 0.00 0.00 58.87 60.21 1x4d n SER 44 Cb 0.48 -0.94 -0.06 0.00 -1.01 0.00 0.00 64.21 62.68 1x4d n SER 44 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1x4d s ASN 45 N -6.95 -0.51 0.34 6.43 0.01 -0.93 -5.01 114.94 108.32 1x4d s ASN 45 Ca -0.30 0.79 0.09 0.00 -0.71 0.00 0.00 52.86 52.73 1x4d s ASN 45 Cb 0.07 1.30 -0.05 0.00 0.41 0.00 0.00 41.25 42.97 1x4d s ASN 45 CO 0.60 -0.12 0.00 -1.38 -1.51 0.00 0.00 177.10 174.69 1x4d s HIS 46 N 1.56 2.54 -0.14 2.20 -3.43 -1.26 0.84 115.29 117.59 1x4d s HIS 46 Ca -0.08 -0.44 -0.07 0.00 -0.80 0.00 0.00 55.06 53.68 1x4d s HIS 46 Cb -0.04 -1.47 0.06 0.00 -1.43 0.00 0.00 32.58 29.70 1x4d s HIS 46 CO -0.15 0.49 0.33 -1.17 -2.00 0.00 0.00 174.74 172.23 1x4d s LEU 47 N -3.71 0.06 -0.34 5.38 0.20 0.66 -4.37 118.68 116.56 1x4d s LEU 47 Ca 0.34 0.71 0.01 0.00 0.69 0.00 0.00 54.13 55.88 1x4d s LEU 47 Cb -0.00 1.02 0.11 0.00 -0.43 0.00 0.00 46.19 46.89 1x4d s LEU 47 CO 0.19 -0.19 0.11 -0.63 -0.29 0.00 0.00 176.35 175.55 1x4d s ILE 48 N 1.53 1.24 0.29 6.68 1.01 -1.26 -0.85 121.20 129.84 1x4d s ILE 48 Ca -0.08 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.49 1x4d s ILE 48 Cb -0.10 -1.92 -0.13 0.00 0.01 0.00 0.00 42.46 40.33 1x4d s ILE 48 CO -0.11 -0.70 1.41 0.18 0.00 0.00 0.00 174.94 175.72 1x4d n LEU 49 N 4.50 3.60 -2.31 2.97 4.77 -1.17 -4.89 117.00 124.47 1x4d n LEU 49 Ca 0.01 1.17 -0.31 0.00 -0.03 0.00 0.00 56.01 56.85 1x4d n LEU 49 Cb 0.41 -1.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.06 1x4d n LEU 49 CO 0.16 -0.33 1.42 0.59 -1.33 0.00 0.00 177.39 177.90 1x4d n ASN 50 N 1.59 7.32 0.00 -1.43 3.02 -1.26 -4.21 115.26 120.29 1x4d n ASN 50 Ca 0.08 -3.58 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 1x4d n ASN 50 Cb 0.34 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.49 1x4d n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x4d n LYS 51 N -0.45 0.00 -3.61 3.52 5.02 -1.26 -5.13 118.16 116.25 1x4d n LYS 51 Ca 0.53 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.66 1x4d n LYS 51 Cb 0.58 -0.47 -0.05 0.00 -0.02 0.00 0.00 35.03 35.07 1x4d n LYS 51 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1x4d n ILE 52 N -2.35 0.00 -1.38 -0.18 -0.00 -1.26 -5.04 119.36 109.16 1x4d n ILE 52 Ca 0.00 -1.62 -0.24 0.00 -0.00 0.00 0.00 62.75 60.89 1x4d n ILE 52 Cb 0.23 0.62 -0.08 0.00 -0.00 0.00 0.00 39.64 40.41 1x4d n ILE 52 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 1x4d n ASN 53 N -1.77 6.20 -4.24 7.28 3.02 -1.26 -4.77 115.26 119.72 1x4d n ASN 53 Ca -0.02 -3.05 -0.30 0.00 -0.03 0.00 0.00 54.58 51.18 1x4d n ASN 53 Cb 0.41 -1.27 -0.16 0.00 -0.61 0.00 0.00 39.78 38.15 1x4d n ASN 53 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1x4d s GLU 54 N -1.13 2.37 0.06 3.52 2.02 -1.26 -3.66 118.70 120.63 1x4d s GLU 54 Ca 0.60 -0.85 -0.09 0.00 0.02 0.00 0.00 54.97 54.66 1x4d s GLU 54 Cb 0.37 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.57 1x4d s GLU 54 CO -0.17 0.36 0.19 0.00 0.02 0.00 0.00 175.26 175.66 1x4d s ALA 55 N -0.14 -0.30 -0.05 5.21 0.00 -0.84 -3.05 121.76 122.60 1x4d s ALA 55 Ca -0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 51.96 51.49 1x4d s ALA 55 Cb -0.13 0.35 0.04 0.00 0.00 0.00 0.00 23.12 23.38 1x4d s ALA 55 CO 0.03 -0.41 0.10 -0.06 0.00 0.00 0.00 175.76 175.42 1x4d s PHE 56 N -3.04 -0.07 -0.07 0.00 0.08 -0.02 -0.94 117.98 113.91 1x4d s PHE 56 Ca -0.01 0.36 0.01 0.00 0.12 0.00 0.00 56.93 57.41 1x4d s PHE 56 Cb 0.01 -0.22 -0.03 0.00 -0.57 0.00 0.00 43.02 42.21 1x4d s PHE 56 CO -0.06 -0.16 -0.10 0.42 -0.10 0.00 0.00 175.22 175.21 1x4d s ILE 57 N 1.49 3.42 -0.18 0.64 1.01 -0.92 -0.24 121.20 126.42 1x4d s ILE 57 Ca -0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1x4d s ILE 57 Cb -0.12 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1x4d s ILE 57 CO -0.05 0.58 -0.04 -0.70 0.00 0.00 0.00 174.94 174.74 1x4d s GLU 58 N -0.57 3.55 0.14 2.79 2.12 0.25 -0.95 118.70 126.02 1x4d s GLU 58 Ca 0.08 -0.56 0.01 0.00 0.36 0.00 0.00 54.97 54.86 1x4d s GLU 58 Cb -0.12 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 1x4d s GLU 58 CO 0.02 0.06 0.30 -1.64 -0.54 0.00 0.00 175.26 173.45 1x4d s MET 59 N 0.84 3.47 0.53 4.30 -1.94 -1.22 -1.45 119.30 123.83 1x4d s MET 59 Ca -0.01 -0.47 0.21 0.00 -1.71 0.00 0.00 55.69 53.72 1x4d s MET 59 Cb -0.15 -2.95 1.43 0.00 2.01 0.00 0.00 34.83 35.18 1x4d s MET 59 CO 0.02 0.51 2.16 0.00 -0.01 0.00 0.00 175.02 177.69 1x4d h ALA 60 N 2.38 1.74 -3.61 3.03 0.00 -1.90 -3.42 119.26 117.49 1x4d h ALA 60 Ca -0.47 -0.03 -0.33 0.00 0.00 0.00 0.00 54.91 54.07 1x4d h ALA 60 Cb 1.18 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 18.65 1x4d h ALA 60 CO 0.70 0.04 -0.75 0.95 0.00 0.00 0.00 179.25 180.20 1x4d s THR 61 N -4.79 0.24 0.66 0.00 -4.23 -1.26 -5.01 115.64 101.24 1x4d s THR 61 Ca -0.05 -0.01 0.34 0.00 -1.18 0.00 0.00 61.69 60.79 1x4d s THR 61 Cb 0.16 -0.28 0.35 0.00 1.34 0.00 0.00 72.50 74.06 1x4d s THR 61 CO 0.63 0.13 2.06 0.00 -0.54 0.00 0.00 174.62 176.89 1x4d h THR 62 N 5.86 0.06 -0.06 3.99 1.03 -1.85 0.92 112.91 122.87 1x4d h THR 62 Ca -0.37 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.97 1x4d h THR 62 Cb 1.16 0.77 -0.01 0.00 -1.07 0.00 0.00 68.15 68.99 1x4d h THR 62 CO 0.49 0.00 -0.22 -0.33 -0.01 0.00 0.00 175.52 175.45 1x4d h GLU 63 N 0.00 0.09 0.02 0.00 4.39 -1.95 -1.76 114.58 115.37 1x4d h GLU 63 Ca 0.02 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1x4d h GLU 63 Cb 0.50 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1x4d h GLU 63 CO -0.00 0.31 -0.01 -0.44 -1.16 0.00 0.00 179.01 177.71 1x4d h ASP 64 N 0.09 -0.02 -0.73 1.42 3.32 -1.06 -2.97 116.42 116.46 1x4d h ASP 64 Ca 0.02 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.21 1x4d h ASP 64 Cb 0.43 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 39.85 1x4d h ASP 64 CO 0.03 0.23 -0.18 0.00 -1.72 0.00 0.00 179.24 177.60 1x4d h ALA 65 N -1.50 0.49 -0.96 3.45 0.00 -1.62 0.33 119.26 119.46 1x4d h ALA 65 Ca -0.00 0.28 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1x4d h ALA 65 Cb 0.02 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.31 1x4d h ALA 65 CO 0.00 -0.41 0.62 1.96 0.00 0.00 0.00 179.25 181.42 1x4d h GLN 66 N 0.00 1.13 0.12 0.00 4.20 -1.48 -2.69 115.11 116.38 1x4d h GLN 66 Ca 0.35 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 1x4d h GLN 66 Cb 0.54 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.07 1x4d h GLN 66 CO -0.75 0.75 -0.06 0.00 -0.67 0.00 0.00 178.83 178.10 1x4d h ALA 67 N 1.41 -0.16 -1.22 3.87 0.00 -0.26 -2.62 119.26 120.29 1x4d h ALA 67 Ca 0.40 -0.10 0.35 0.00 0.00 0.00 0.00 54.91 55.56 1x4d h ALA 67 Cb 0.08 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.84 1x4d h ALA 67 CO -0.14 -0.51 0.82 0.00 0.00 0.00 0.00 179.25 179.42 1x4d h ALA 68 N 0.56 2.76 -0.05 0.00 0.00 -0.74 0.71 119.26 122.50 1x4d h ALA 68 Ca -0.02 0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.72 1x4d h ALA 68 Cb 0.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1x4d h ALA 68 CO 0.03 -1.20 -0.80 0.28 0.00 0.00 0.00 179.25 177.55 1x4d h VAL 69 N 0.16 1.38 0.00 0.00 2.07 -1.32 -3.00 116.25 115.55 1x4d h VAL 69 Ca 0.65 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.93 1x4d h VAL 69 Cb 2.15 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 1x4d h VAL 69 CO -0.20 0.67 0.00 -0.78 0.02 0.00 0.00 177.57 177.28 1x4d h ASP 70 N 0.27 0.00 1.06 0.57 1.82 0.68 -2.31 116.42 118.51 1x4d h ASP 70 Ca -0.05 0.00 -0.18 0.00 -0.39 0.00 0.00 57.03 56.42 1x4d h ASP 70 Cb 1.40 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.39 1x4d h ASP 70 CO 0.14 0.00 -0.99 0.22 -1.61 0.00 0.00 179.24 177.00 1x4d h TYR 71 N 0.00 0.00 0.00 0.28 3.20 -1.26 -3.21 116.97 115.97 1x4d h TYR 71 Ca 0.00 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1x4d h TYR 71 Cb 0.33 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.59 1x4d h TYR 71 CO 0.00 0.75 -0.22 -0.92 -1.64 0.00 0.00 178.16 176.13 1x4d h TYR 72 N 0.00 0.00 0.00 -3.82 5.03 -1.44 0.18 116.97 116.92 1x4d h TYR 72 Ca -0.07 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.12 1x4d h TYR 72 Cb 1.63 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.89 1x4d h TYR 72 CO 0.00 0.22 -0.82 0.00 -1.32 0.00 0.00 178.16 176.24 1x4d h THR 73 N 0.00 0.67 -0.00 1.81 1.03 -1.60 -3.31 112.91 111.50 1x4d h THR 73 Ca -0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 66.41 64.36 1x4d h THR 73 Cb 0.92 2.23 0.00 0.00 -1.07 0.00 0.00 68.15 70.23 1x4d h THR 73 CO 0.03 0.38 -0.71 0.35 -0.01 0.00 0.00 175.52 175.55 1x4d n THR 74 N -3.08 0.00 -3.72 0.00 -2.24 -1.16 -4.97 114.28 99.12 1x4d n THR 74 Ca -0.02 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1x4d n THR 74 Cb 0.75 1.03 -0.10 0.00 -2.10 0.00 0.00 70.33 69.91 1x4d n THR 74 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1x4d s THR 75 N -2.47 -0.00 -0.06 4.28 2.01 0.61 -5.08 115.64 114.92 1x4d s THR 75 Ca 0.07 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1x4d s THR 75 Cb 0.13 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.96 1x4d s THR 75 CO 0.64 0.00 1.50 -2.16 -0.69 0.00 0.00 174.62 173.91 1x4d s PRO 76 N 0.35 4.22 -1.03 4.92 0.04 -1.26 -3.89 135.00 138.35 1x4d s PRO 76 Ca -0.01 2.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.87 1x4d s PRO 76 Cb -0.04 -3.81 0.14 0.00 0.04 0.00 0.00 34.50 30.84 1x4d s PRO 76 CO -0.01 -0.74 1.23 0.00 0.04 0.00 0.00 177.00 177.53 1x4d s ALA 77 N 3.44 3.58 -0.49 8.56 0.00 -1.26 -4.99 121.76 130.60 1x4d s ALA 77 Ca 0.67 -2.97 -0.25 0.00 0.00 0.00 0.00 51.96 49.41 1x4d s ALA 77 Cb -0.30 -4.08 0.03 0.00 0.00 0.00 0.00 23.12 18.77 1x4d s ALA 77 CO 0.25 -2.92 0.92 -0.51 0.00 0.00 0.00 175.76 173.50 1x4d s LEU 78 N 2.33 4.06 -0.24 0.00 1.43 -1.26 -2.33 118.68 122.66 1x4d s LEU 78 Ca 0.36 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.24 1x4d s LEU 78 Cb -0.04 -3.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 1x4d s LEU 78 CO -0.06 -1.10 0.42 -0.69 0.23 0.00 0.00 176.35 175.15 1x4d s VAL 79 N 3.78 5.16 0.00 -1.59 1.01 0.42 -4.05 120.40 125.12 1x4d s VAL 79 Ca 0.34 0.70 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1x4d s VAL 79 Cb -0.11 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1x4d s VAL 79 CO 0.24 0.17 0.00 0.49 0.00 0.00 0.00 175.10 176.00 1x4d n PHE 80 N 5.07 0.00 0.00 5.22 3.72 -1.26 -1.46 117.46 128.75 1x4d n PHE 80 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1x4d n PHE 80 Cb 0.51 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 1x4d n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1x4d n GLY 81 N -1.05 2.14 3.68 1.37 0.00 -1.26 -5.10 105.19 104.97 1x4d n GLY 81 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1x4d n GLY 81 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4d s LYS 82 N -0.17 2.49 0.45 1.61 0.00 -0.53 -4.97 119.74 118.62 1x4d s LYS 82 Ca 0.00 -0.90 -0.23 0.00 0.00 0.00 0.00 55.97 54.84 1x4d s LYS 82 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 37.83 35.26 1x4d s LYS 82 CO 0.00 0.52 1.17 -1.25 0.00 0.00 0.00 175.35 175.79 1x4d s PRO 83 N -2.43 3.79 0.02 1.78 0.04 -1.26 0.16 135.00 137.09 1x4d s PRO 83 Ca 0.26 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1x4d s PRO 83 Cb -0.11 -2.44 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 1x4d s PRO 83 CO 0.18 -0.53 0.01 1.33 0.04 0.00 0.00 177.00 178.03 1x4d n VAL 84 N -0.42 0.00 -4.82 -0.36 0.24 -0.99 -4.80 118.33 107.18 1x4d n VAL 84 Ca 0.07 -0.12 -0.28 0.00 -2.04 0.00 0.00 64.34 61.97 1x4d n VAL 84 Cb 0.48 0.05 -0.17 0.00 -1.47 0.00 0.00 33.84 32.73 1x4d n VAL 84 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1x4d s ARG 85 N -2.08 2.28 -0.18 7.34 0.52 -0.56 -4.82 118.95 121.45 1x4d s ARG 85 Ca 0.01 -0.61 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1x4d s ARG 85 Cb 0.00 -1.80 0.04 0.00 0.52 0.00 0.00 34.95 33.71 1x4d s ARG 85 CO 0.01 0.08 -0.12 0.08 0.02 0.00 0.00 175.30 175.37 1x4d s VAL 86 N 0.56 1.66 0.09 3.52 1.01 -1.26 -1.25 120.40 124.73 1x4d s VAL 86 Ca -0.16 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1x4d s VAL 86 Cb -0.17 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1x4d s VAL 86 CO 0.05 0.28 -0.06 -1.00 0.00 0.00 0.00 175.10 174.37 1x4d s HIS 87 N 1.41 0.82 -0.76 5.22 3.76 0.10 -4.91 115.29 120.93 1x4d s HIS 87 Ca 0.01 -0.87 -0.16 0.00 -0.15 0.00 0.00 55.06 53.88 1x4d s HIS 87 Cb -0.15 -0.48 0.16 0.00 1.11 0.00 0.00 32.58 33.22 1x4d s HIS 87 CO -0.09 -0.17 0.80 -1.17 -0.85 0.00 0.00 174.74 173.26 1x4d s LEU 88 N -2.83 6.00 0.58 0.89 1.98 -1.26 0.12 118.68 124.16 1x4d s LEU 88 Ca 0.08 -2.14 0.36 0.00 -2.89 0.00 0.00 54.13 49.54 1x4d s LEU 88 Cb 0.03 -2.27 1.37 0.00 0.66 0.00 0.00 46.19 45.98 1x4d s LEU 88 CO -0.05 -0.84 1.56 -1.28 -1.89 0.00 0.00 176.35 173.85 1x4d h SER 89 N 8.48 0.00 -1.04 3.68 0.87 -1.03 -3.43 113.55 121.08 1x4d h SER 89 Ca -0.03 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.27 1x4d h SER 89 Cb 1.06 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 62.91 1x4d h SER 89 CO 0.95 0.00 -0.23 0.00 -0.53 0.00 0.00 176.83 177.01 1x4d n GLN 90 N -3.69 -1.45 -1.94 2.24 6.02 -1.22 -4.82 117.38 112.52 1x4d n GLN 90 Ca 0.28 0.81 -0.03 0.00 -0.01 0.00 0.00 57.00 58.05 1x4d n GLN 90 Cb 1.51 -5.04 0.01 0.00 1.02 0.00 0.00 30.24 27.74 1x4d n GLN 90 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1x4d n LYS 91 N -1.53 0.36 0.00 -1.09 -0.00 -1.26 -4.70 118.16 109.93 1x4d n LYS 91 Ca -0.13 -0.70 0.00 0.00 -0.00 0.00 0.00 58.31 57.48 1x4d n LYS 91 Cb 0.48 0.89 0.00 0.00 -0.00 0.00 0.00 35.03 36.39 1x4d n LYS 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 1x4d n TYR 92 N -0.18 0.00 0.00 5.58 9.36 -1.26 -4.60 117.16 126.05 1x4d n TYR 92 Ca -0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1x4d n TYR 92 Cb 0.19 -0.38 0.00 0.00 -0.63 0.00 0.00 39.34 38.53 1x4d n TYR 92 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1x4d n LYS 93 N -1.45 0.00 -1.51 2.98 0.00 -1.26 -4.90 118.16 112.02 1x4d n LYS 93 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 58.31 58.13 1x4d n LYS 93 Cb 0.00 -0.19 -0.17 0.00 0.00 0.00 0.00 35.03 34.68 1x4d n LYS 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1x4d n ARG 94 N -1.42 0.20 -3.83 1.64 5.12 -1.26 -4.82 116.66 112.29 1x4d n ARG 94 Ca 0.00 -0.33 -0.13 0.00 -1.93 0.00 0.00 57.85 55.46 1x4d n ARG 94 Cb 0.00 -2.01 -0.14 0.00 -1.16 0.00 0.00 32.46 29.15 1x4d n ARG 94 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1x4d s ILE 95 N 5.57 -0.02 -0.14 0.55 1.01 -1.26 -5.01 121.20 121.90 1x4d s ILE 95 Ca 1.14 0.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.80 1x4d s ILE 95 Cb -0.56 -0.08 0.02 0.00 0.01 0.00 0.00 42.46 41.85 1x4d s ILE 95 CO 0.37 0.03 0.12 1.17 0.00 0.00 0.00 174.94 176.63 1x4d n LYS 96 N 3.45 -3.12 -3.20 2.79 0.00 -1.26 -5.00 118.16 111.81 1x4d n LYS 96 Ca -0.17 2.50 0.04 0.00 0.00 0.00 0.00 58.31 60.68 1x4d n LYS 96 Cb 0.57 -3.60 -0.02 0.00 0.00 0.00 0.00 35.03 31.98 1x4d n LYS 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x4d s SER 97 N -0.70 -0.88 0.00 3.14 0.15 -1.26 -5.15 113.70 109.00 1x4d s SER 97 Ca -0.14 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1x4d s SER 97 Cb 0.01 1.78 0.00 0.00 -1.71 0.00 0.00 66.02 66.10 1x4d s SER 97 CO 0.51 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.39 1x4d n GLY 98 N 5.40 6.19 3.72 9.45 0.00 -1.26 -5.12 105.19 123.57 1x4d n GLY 98 Ca -0.05 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1x4d n GLY 98 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4d s PRO 99 N 0.39 4.35 -0.24 1.61 0.04 -1.26 -5.02 135.00 134.88 1x4d s PRO 99 Ca 0.00 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.08 1x4d s PRO 99 Cb 0.00 -3.24 0.03 0.00 0.04 0.00 0.00 34.50 31.33 1x4d s PRO 99 CO 0.00 -0.36 -0.10 0.45 0.04 0.00 0.00 177.00 177.03 1x4d s SER 100 N 0.85 4.09 0.17 6.66 0.15 -1.26 -4.96 113.70 119.40 1x4d s SER 100 Ca 0.61 -0.96 0.00 0.00 0.70 0.00 0.00 55.95 56.31 1x4d s SER 100 Cb -0.36 -1.60 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 1x4d s SER 100 CO 0.33 -0.12 0.00 -0.24 1.20 0.00 0.00 173.24 174.41 1x4d n SER 101 N 4.60 -8.15 0.00 5.45 2.88 -1.26 -5.35 113.62 111.79 1x4d n SER 101 Ca -0.17 1.24 0.15 0.00 -1.33 0.00 0.00 58.87 58.77 1x4d n SER 101 Cb 0.46 -4.58 0.89 0.00 -0.75 0.00 0.00 64.21 60.24 1x4d n SER 101 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42