#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ppp s VAL 2 N 0.00 0.38 -0.06 1.61 0.11 -1.26 -0.89 120.40 120.28 2ppp s VAL 2 Ca 0.00 -0.13 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 2ppp s VAL 2 Cb 0.00 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2ppp s VAL 2 CO 0.00 0.14 -0.13 -1.10 -3.33 0.00 0.00 175.10 170.69 2ppp s GLN 3 N 0.34 2.64 -0.14 1.54 -0.21 -0.27 -4.97 119.66 118.59 2ppp s GLN 3 Ca -0.04 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.68 2ppp s GLN 3 Cb -0.07 -2.44 -0.01 0.00 1.00 0.00 0.00 33.01 31.48 2ppp s GLN 3 CO -0.00 0.59 -0.14 0.08 -2.12 0.00 0.00 175.29 173.70 2ppp s VAL 4 N -0.64 2.89 -0.11 1.09 1.01 -1.26 -0.90 120.40 122.49 2ppp s VAL 4 Ca 0.09 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2ppp s VAL 4 Cb -0.11 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2ppp s VAL 4 CO 0.01 0.52 -0.19 -0.70 0.00 0.00 0.00 175.10 174.74 2ppp s GLU 5 N 0.52 2.62 0.06 2.72 2.12 0.07 -4.99 118.70 121.83 2ppp s GLU 5 Ca -0.09 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.22 2ppp s GLU 5 Cb -0.16 -2.09 -0.05 0.00 0.26 0.00 0.00 34.13 32.10 2ppp s GLU 5 CO 0.04 0.05 1.05 0.99 -0.54 0.00 0.00 175.26 176.84 2ppp s THR 6 N 0.67 4.45 -0.21 -1.70 2.01 -1.26 0.14 115.64 119.74 2ppp s THR 6 Ca -0.12 1.85 -0.13 0.00 0.31 0.00 0.00 61.69 63.60 2ppp s THR 6 Cb -0.16 -4.18 -0.19 0.00 0.01 0.00 0.00 72.50 67.98 2ppp s THR 6 CO 0.03 0.19 0.05 -0.38 -0.69 0.00 0.00 174.62 173.82 2ppp n ILE 7 N 3.48 1.59 -3.76 1.82 5.41 0.72 -4.88 119.36 123.74 2ppp n ILE 7 Ca 0.06 -0.35 -0.15 0.00 1.00 0.00 0.00 62.75 63.31 2ppp n ILE 7 Cb 0.49 -1.84 -0.16 0.00 -0.71 0.00 0.00 39.64 37.43 2ppp n ILE 7 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2ppp s SER 8 N -7.01 0.03 0.48 4.38 0.15 -0.57 -4.97 113.70 106.20 2ppp s SER 8 Ca -0.31 0.11 -0.23 0.00 0.70 0.00 0.00 55.95 56.23 2ppp s SER 8 Cb 0.09 -0.00 -0.07 0.00 -1.71 0.00 0.00 66.02 64.33 2ppp s SER 8 CO 0.61 -0.14 1.23 -2.16 1.20 0.00 0.00 173.24 173.98 2ppp s PRO 9 N 1.12 3.62 0.00 5.44 0.04 -1.26 -0.83 135.00 143.12 2ppp s PRO 9 Ca -0.09 1.92 0.00 0.00 0.04 0.00 0.00 61.00 62.88 2ppp s PRO 9 Cb -0.13 -2.40 0.00 0.00 0.04 0.00 0.00 34.50 32.01 2ppp s PRO 9 CO -0.04 -0.71 0.00 0.41 0.04 0.00 0.00 177.00 176.70 2ppp n GLY 10 N 0.54 0.92 0.03 0.56 0.00 -1.26 -4.34 105.19 101.64 2ppp n GLY 10 Ca 0.08 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.44 2ppp n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2ppp n ASP 11 N 0.00 0.19 -0.91 1.61 3.85 -0.52 -4.84 116.55 115.93 2ppp n ASP 11 Ca 0.00 0.52 -0.12 0.00 -0.71 0.00 0.00 54.79 54.48 2ppp n ASP 11 Cb 0.00 -0.57 -0.05 0.00 -1.35 0.00 0.00 41.12 39.15 2ppp n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ppp n GLY 12 N 1.30 1.22 0.00 6.12 0.00 -1.26 -4.76 105.19 107.81 2ppp n GLY 12 Ca 0.06 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ppp n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppp n ARG 13 N -1.78 3.23 -3.76 1.61 5.12 -1.26 -5.01 116.66 114.80 2ppp n ARG 13 Ca -0.12 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.44 2ppp n ARG 13 Cb 0.50 -0.54 -0.11 0.00 -1.16 0.00 0.00 32.46 31.15 2ppp n ARG 13 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 2ppp s THR 14 N -0.56 3.41 0.08 0.55 2.01 -1.26 -5.05 115.64 114.82 2ppp s THR 14 Ca 0.00 -2.37 0.04 0.00 0.31 0.00 0.00 61.69 59.67 2ppp s THR 14 Cb 0.00 -3.30 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2ppp s THR 14 CO 0.00 -0.75 0.03 -0.36 -0.69 0.00 0.00 174.62 172.85 2ppp s PHE 15 N 0.73 3.08 0.53 4.92 0.08 -1.26 -0.95 117.98 125.11 2ppp s PHE 15 Ca 0.11 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.96 2ppp s PHE 15 Cb -0.22 -1.58 -0.05 0.00 -0.57 0.00 0.00 43.02 40.59 2ppp s PHE 15 CO -0.04 0.50 1.39 -2.14 -0.10 0.00 0.00 175.22 174.82 2ppp s PRO 16 N -2.28 3.21 0.10 0.24 0.02 -1.26 -5.03 135.00 130.00 2ppp s PRO 16 Ca 0.27 2.30 0.07 0.00 0.02 0.00 0.00 61.00 63.66 2ppp s PRO 16 Cb -0.12 -2.33 -0.04 0.00 0.02 0.00 0.00 34.50 32.03 2ppp s PRO 16 CO 0.19 -1.16 -0.10 0.15 -0.33 0.00 0.00 177.00 175.75 2ppp s LYS 17 N -2.83 2.14 0.12 5.54 1.02 -1.26 -4.96 119.74 119.50 2ppp s LYS 17 Ca 0.70 -1.01 -0.35 0.00 0.02 0.00 0.00 55.97 55.33 2ppp s LYS 17 Cb -0.42 -2.30 -0.16 0.00 -0.52 0.00 0.00 37.83 34.43 2ppp s LYS 17 CO 0.50 0.51 1.30 0.54 -0.92 0.00 0.00 175.35 177.28 2ppp n ARG 18 N 0.79 1.22 0.00 1.68 5.12 -1.26 -1.38 116.66 122.82 2ppp n ARG 18 Ca -0.14 0.44 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 2ppp n ARG 18 Cb 0.52 -2.04 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2ppp n ARG 18 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2ppp n GLY 19 N 2.39 1.86 3.80 -0.13 0.00 0.35 -5.00 105.19 108.46 2ppp n GLY 19 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2ppp n GLY 19 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ppp s GLN 20 N -0.67 3.84 -0.29 1.61 -0.21 -0.48 -4.70 119.66 118.76 2ppp s GLN 20 Ca 0.00 1.35 -0.24 0.00 0.02 0.00 0.00 55.36 56.49 2ppp s GLN 20 Cb 0.00 -2.11 -0.00 0.00 1.00 0.00 0.00 33.01 31.90 2ppp s GLN 20 CO 0.00 -0.39 0.79 0.99 -2.12 0.00 0.00 175.29 174.56 2ppp s THR 21 N -1.98 4.81 -0.19 -0.19 2.01 -0.00 -1.22 115.64 118.88 2ppp s THR 21 Ca 0.67 1.27 -0.21 0.00 0.31 0.00 0.00 61.69 63.73 2ppp s THR 21 Cb -0.16 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.19 2ppp s THR 21 CO 0.20 -0.20 0.62 0.00 -0.69 0.00 0.00 174.62 174.54 2ppp s VAL 23 N 1.75 4.33 0.13 0.00 1.01 -0.46 -1.69 120.40 125.47 2ppp s VAL 23 Ca 0.29 -0.41 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2ppp s VAL 23 Cb -0.16 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 2ppp s VAL 23 CO 0.11 0.16 -0.12 0.68 0.00 0.00 0.00 175.10 175.92 2ppp s VAL 24 N 1.58 1.23 -0.08 2.92 -7.23 0.26 -0.49 120.40 118.60 2ppp s VAL 24 Ca 0.05 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 2ppp s VAL 24 Cb -0.16 -1.58 -0.03 0.00 0.56 0.00 0.00 36.38 35.17 2ppp s VAL 24 CO 0.04 -0.52 0.00 -1.00 -0.31 0.00 0.00 175.10 173.32 2ppp s HIS 25 N -2.48 3.16 0.05 2.82 3.76 -0.64 -0.62 115.29 121.34 2ppp s HIS 25 Ca 0.10 0.19 -0.13 0.00 -0.15 0.00 0.00 55.06 55.07 2ppp s HIS 25 Cb -0.03 -1.78 0.02 0.00 1.11 0.00 0.00 32.58 31.90 2ppp s HIS 25 CO 0.02 0.47 0.30 1.52 -0.85 0.00 0.00 174.74 176.20 2ppp s TYR 26 N -0.91 -0.09 -0.11 1.40 -0.85 -1.26 -0.46 117.35 115.07 2ppp s TYR 26 Ca 0.14 -0.08 -0.00 0.00 -0.52 0.00 0.00 57.07 56.61 2ppp s TYR 26 Cb -0.11 0.09 0.02 0.00 0.38 0.00 0.00 41.96 42.34 2ppp s TYR 26 CO 0.03 -0.51 -0.07 0.95 -1.52 0.00 0.00 175.55 174.43 2ppp s THR 27 N -2.69 0.99 -0.19 -3.49 -4.23 -0.28 -1.11 115.64 104.65 2ppp s THR 27 Ca -0.04 -0.28 -0.10 0.00 -1.18 0.00 0.00 61.69 60.09 2ppp s THR 27 Cb -0.00 -1.01 -0.05 0.00 1.34 0.00 0.00 72.50 72.78 2ppp s THR 27 CO -0.04 0.36 0.14 -0.83 -0.54 0.00 0.00 174.62 173.71 2ppp s GLY 28 N 1.64 2.07 0.11 3.99 0.00 0.11 -1.34 107.32 113.89 2ppp s GLY 28 Ca 0.03 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.12 2ppp s GLY 28 CO -0.07 0.09 -0.10 1.06 0.00 0.00 0.00 173.10 174.07 2ppp s MET 29 N 0.18 0.89 0.84 2.90 -1.94 0.38 -0.65 119.30 121.89 2ppp s MET 29 Ca 0.09 -1.21 -0.12 0.00 -1.71 0.00 0.00 55.69 52.74 2ppp s MET 29 Cb -0.11 -0.55 0.10 0.00 2.01 0.00 0.00 34.83 36.27 2ppp s MET 29 CO -0.01 0.08 1.15 -0.51 -0.01 0.00 0.00 175.02 175.73 2ppp s LEU 30 N -2.57 2.35 0.00 -0.03 1.43 -0.56 -1.18 118.68 118.11 2ppp s LEU 30 Ca 0.07 0.91 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 2ppp s LEU 30 Cb -0.02 -3.37 0.21 0.00 0.03 0.00 0.00 46.19 43.04 2ppp s LEU 30 CO 0.00 -2.12 0.74 1.21 0.23 0.00 0.00 176.35 176.41 2ppp n GLU 31 N -3.48 0.56 0.00 1.70 2.13 -1.12 -0.97 120.64 119.46 2ppp n GLU 31 Ca 0.07 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.98 2ppp n GLU 31 Cb 0.60 -1.10 0.03 0.00 0.27 0.00 0.00 31.44 31.24 2ppp n GLU 31 CO 0.00 0.00 0.00 -0.40 -0.41 0.00 0.00 177.13 176.32 2ppp n ASP 32 N -0.60 2.00 0.00 4.31 3.85 -1.26 -4.99 116.55 119.86 2ppp n ASP 32 Ca 0.03 -1.50 0.00 0.00 -0.71 0.00 0.00 54.79 52.60 2ppp n ASP 32 Cb 0.01 0.30 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 2ppp n ASP 32 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ppp n GLY 33 N 1.14 0.28 3.66 6.12 0.00 -0.15 -5.04 105.19 111.20 2ppp n GLY 33 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 2ppp n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppp s LYS 34 N -0.91 4.23 0.25 1.61 -0.14 -1.26 -4.79 119.74 118.74 2ppp s LYS 34 Ca 0.00 1.73 -0.30 0.00 -1.36 0.00 0.00 55.97 56.04 2ppp s LYS 34 Cb 0.00 -3.77 -0.10 0.00 -1.68 0.00 0.00 37.83 32.28 2ppp s LYS 34 CO 0.00 -0.70 1.36 0.15 -0.76 0.00 0.00 175.35 175.40 2ppp s LYS 35 N 3.45 4.33 -0.01 1.68 1.02 -1.26 -1.50 119.74 127.46 2ppp s LYS 35 Ca 0.57 2.20 0.07 0.00 0.02 0.00 0.00 55.97 58.82 2ppp s LYS 35 Cb -0.23 -3.13 -0.09 0.00 -0.52 0.00 0.00 37.83 33.86 2ppp s LYS 35 CO 0.17 -0.30 0.20 1.97 -0.92 0.00 0.00 175.35 176.46 2ppp n PHE 36 N 2.05 0.00 -3.63 3.18 -1.74 0.18 -4.93 117.46 112.57 2ppp n PHE 36 Ca 0.05 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.82 2ppp n PHE 36 Cb 0.41 -0.09 -0.07 0.00 1.52 0.00 0.00 39.48 41.25 2ppp n PHE 36 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 2ppp s ASP 37 N -2.32 -0.71 -0.24 5.98 2.15 -1.16 -5.02 116.67 115.35 2ppp s ASP 37 Ca -0.01 1.33 -0.11 0.00 0.43 0.00 0.00 52.55 54.19 2ppp s ASP 37 Cb 0.04 1.34 0.09 0.00 -0.30 0.00 0.00 42.92 44.09 2ppp s ASP 37 CO 0.27 -0.23 0.57 -0.55 -0.17 0.00 0.00 175.17 175.06 2ppp s SER 38 N 0.51 -0.77 0.33 -0.34 0.15 -1.26 0.03 113.70 112.35 2ppp s SER 38 Ca -0.01 1.29 0.12 0.00 0.70 0.00 0.00 55.95 58.06 2ppp s SER 38 Cb -0.05 1.45 0.55 0.00 -1.71 0.00 0.00 66.02 66.26 2ppp s SER 38 CO -0.03 -0.22 1.72 0.77 1.20 0.00 0.00 173.24 176.68 2ppp h SER 39 N 7.48 0.00 -0.43 5.45 4.64 -1.41 -3.07 113.55 126.21 2ppp h SER 39 Ca -0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.98 2ppp h SER 39 Cb 1.17 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.24 2ppp h SER 39 CO 0.17 0.49 -0.01 0.03 -0.87 0.00 0.00 176.83 176.64 2ppp h ARG 40 N 0.00 0.84 -0.61 4.77 3.08 -1.83 -0.98 114.38 119.65 2ppp h ARG 40 Ca -0.00 -0.24 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 2ppp h ARG 40 Cb 0.88 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.81 2ppp h ARG 40 CO 0.06 0.85 0.04 -0.44 -1.07 0.00 0.00 179.97 179.41 2ppp h ASP 41 N 0.78 1.01 0.67 7.04 5.19 -1.87 -2.28 116.42 126.95 2ppp h ASP 41 Ca 0.15 -0.26 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 2ppp h ASP 41 Cb 0.48 -0.27 0.00 0.00 0.18 0.00 0.00 39.33 39.73 2ppp h ASP 41 CO 0.02 1.04 0.00 0.54 -3.12 0.00 0.00 179.24 177.72 2ppp n ARG 42 N -4.20 0.16 -3.56 3.56 1.74 -0.96 -4.92 116.66 108.50 2ppp n ARG 42 Ca 0.03 0.40 -0.24 0.00 -0.77 0.00 0.00 57.85 57.27 2ppp n ARG 42 Cb 0.32 -1.81 0.07 0.00 -1.02 0.00 0.00 32.46 30.02 2ppp n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2ppp n ASN 43 N -2.12 -6.22 -3.66 0.55 3.02 -0.41 -5.00 115.26 101.41 2ppp n ASN 43 Ca 0.02 -0.53 -0.07 0.00 -0.03 0.00 0.00 54.58 53.98 2ppp n ASN 43 Cb 0.22 -4.92 -0.08 0.00 -0.61 0.00 0.00 39.78 34.39 2ppp n ASN 43 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2ppp s LYS 44 N -6.27 0.45 0.69 3.52 2.20 -0.96 -5.05 119.74 114.31 2ppp s LYS 44 Ca 0.56 1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 57.13 2ppp s LYS 44 Cb -0.25 0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2ppp s LYS 44 CO 0.69 -0.21 0.97 -2.30 -0.36 0.00 0.00 175.35 174.14 2ppp n PRO 45 N 5.08 0.63 -4.22 4.03 -0.02 -1.26 -4.67 135.00 134.57 2ppp n PRO 45 Ca -0.13 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.26 2ppp n PRO 45 Cb 0.51 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.70 2ppp n PRO 45 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2ppp s PHE 46 N -1.71 3.27 -0.06 6.00 2.19 0.21 -4.93 117.98 122.95 2ppp s PHE 46 Ca 0.74 0.24 0.03 0.00 0.33 0.00 0.00 56.93 58.28 2ppp s PHE 46 Cb -0.36 -1.86 -0.02 0.00 -1.31 0.00 0.00 43.02 39.46 2ppp s PHE 46 CO 0.49 0.48 -0.14 0.15 1.83 0.00 0.00 175.22 178.03 2ppp s LYS 47 N -0.73 2.59 -0.01 10.12 1.02 -1.26 -0.57 119.74 130.89 2ppp s LYS 47 Ca 0.12 -0.69 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 2ppp s LYS 47 Cb -0.12 -2.41 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 2ppp s LYS 47 CO 0.02 0.59 0.21 -0.59 -0.92 0.00 0.00 175.35 174.67 2ppp s PHE 48 N -0.64 -0.06 -0.20 3.18 -0.12 -0.68 -4.99 117.98 114.46 2ppp s PHE 48 Ca 0.09 0.07 -0.23 0.00 -0.05 0.00 0.00 56.93 56.81 2ppp s PHE 48 Cb -0.11 0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.28 2ppp s PHE 48 CO 0.01 -0.32 0.76 1.41 -0.05 0.00 0.00 175.22 177.03 2ppp s MET 49 N -1.28 4.22 0.00 1.99 -2.45 -1.26 -0.24 119.30 120.29 2ppp s MET 49 Ca -0.13 0.84 -0.30 0.00 -1.25 0.00 0.00 55.69 54.85 2ppp s MET 49 Cb -0.06 -3.60 -0.08 0.00 1.25 0.00 0.00 34.83 32.34 2ppp s MET 49 CO 0.03 -0.36 1.84 -1.17 1.05 0.00 0.00 175.02 176.41 2ppp s LEU 50 N 2.30 4.39 0.00 4.11 0.20 -0.36 -2.19 118.68 127.14 2ppp s LEU 50 Ca 0.34 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.66 2ppp s LEU 50 Cb -0.16 -3.53 0.00 0.00 -0.43 0.00 0.00 46.19 42.07 2ppp s LEU 50 CO 0.10 -1.00 0.00 0.61 -0.29 0.00 0.00 176.35 175.77 2ppp n GLY 51 N 4.38 2.36 3.77 7.98 0.00 -1.26 -0.49 105.19 121.93 2ppp n GLY 51 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2ppp n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ppp s LYS 52 N -0.29 3.52 -0.21 1.61 1.02 -0.93 -4.95 119.74 119.51 2ppp s LYS 52 Ca 0.00 1.65 0.05 0.00 0.02 0.00 0.00 55.97 57.69 2ppp s LYS 52 Cb 0.00 -2.15 0.44 0.00 -0.52 0.00 0.00 37.83 35.60 2ppp s LYS 52 CO 0.00 -0.72 1.41 0.00 -0.92 0.00 0.00 175.35 175.12 2ppp n GLN 53 N -1.00 2.44 -0.01 1.68 10.64 -1.26 -4.23 117.38 125.64 2ppp n GLN 53 Ca 0.10 -1.82 -0.17 0.00 -1.83 0.00 0.00 57.00 53.28 2ppp n GLN 53 Cb 0.50 -1.81 -0.11 0.00 -0.86 0.00 0.00 30.24 27.95 2ppp n GLN 53 CO 0.00 0.00 0.00 1.05 -1.83 0.00 0.00 177.06 176.28 2ppp h GLU 54 N 1.38 0.31 -6.05 2.61 4.11 -1.93 -3.46 114.58 111.54 2ppp h GLU 54 Ca 0.21 -0.34 -0.60 0.00 0.07 0.00 0.00 59.36 58.70 2ppp h GLU 54 Cb 1.79 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.09 2ppp h GLU 54 CO 0.50 1.04 -0.25 0.08 0.07 0.00 0.00 179.01 180.44 2ppp s VAL 55 N -3.12 5.10 0.60 -1.06 1.01 -1.26 -5.05 120.40 116.62 2ppp s VAL 55 Ca -0.14 0.54 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 2ppp s VAL 55 Cb 0.02 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2ppp s VAL 55 CO 0.79 0.39 1.09 2.30 0.00 0.00 0.00 175.10 179.67 2ppp n ILE 56 N 1.21 3.93 0.01 2.22 -5.35 -1.26 -4.79 119.36 115.34 2ppp n ILE 56 Ca -0.10 -0.50 0.02 0.00 -0.27 0.00 0.00 62.75 61.90 2ppp n ILE 56 Cb 0.52 -1.29 0.37 0.00 -1.74 0.00 0.00 39.64 37.50 2ppp n ILE 56 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 2ppp h ARG 57 N 0.67 0.50 -0.04 6.28 2.43 -1.82 -2.19 114.38 120.21 2ppp h ARG 57 Ca -0.49 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 58.42 2ppp h ARG 57 Cb 1.35 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.80 2ppp h ARG 57 CO 0.52 0.44 -0.80 0.78 -1.51 0.00 0.00 179.97 179.41 2ppp h GLY 58 N 0.69 0.36 0.66 2.80 0.00 -1.20 -2.01 103.07 104.37 2ppp h GLY 58 Ca 0.12 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 2ppp h GLY 58 CO -0.01 0.49 -0.08 -0.25 0.00 0.00 0.00 176.54 176.69 2ppp h TRP 59 N 0.20 0.26 -0.18 5.60 7.01 -1.65 0.04 115.95 127.24 2ppp h TRP 59 Ca -0.04 -0.08 0.02 0.00 2.11 0.00 0.00 58.89 60.90 2ppp h TRP 59 Cb 1.39 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 28.37 2ppp h TRP 59 CO 0.04 0.64 0.05 1.96 -2.79 0.00 0.00 178.44 178.34 2ppp h GLN 60 N -0.19 0.13 0.00 2.65 4.20 -1.51 -1.30 115.11 119.10 2ppp h GLN 60 Ca 0.02 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 2ppp h GLN 60 Cb 0.59 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 2ppp h GLN 60 CO 0.02 0.09 -0.42 0.93 -0.67 0.00 0.00 178.83 178.78 2ppp h GLU 61 N 0.14 0.00 -0.13 1.46 5.08 -1.34 -0.26 114.58 119.53 2ppp h GLU 61 Ca 0.08 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2ppp h GLU 61 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2ppp h GLU 61 CO -0.09 0.42 -0.04 0.78 -1.00 0.00 0.00 179.01 179.08 2ppp h GLY 62 N 2.06 0.28 1.55 -3.84 0.00 -0.87 -3.21 103.07 99.04 2ppp h GLY 62 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2ppp h GLY 62 CO 0.05 0.22 -0.02 -2.08 0.00 0.00 0.00 176.54 174.71 2ppp h VAL 63 N -0.07 1.21 -0.01 4.60 2.07 -0.80 -1.94 116.25 121.31 2ppp h VAL 63 Ca 0.03 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.70 2ppp h VAL 63 Cb 0.48 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2ppp h VAL 63 CO 0.01 0.29 0.01 0.00 0.02 0.00 0.00 177.57 177.91 2ppp h ALA 64 N 1.45 1.55 0.00 1.67 0.00 -1.08 -0.75 119.26 122.10 2ppp h ALA 64 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ppp h ALA 64 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2ppp h ALA 64 CO 0.01 -0.02 -0.13 1.04 0.00 0.00 0.00 179.25 180.16 2ppp n GLN 65 N -3.86 0.05 -3.78 0.00 6.02 -0.73 -4.40 117.38 110.68 2ppp n GLN 65 Ca -0.03 0.03 -0.32 0.00 -0.01 0.00 0.00 57.00 56.68 2ppp n GLN 65 Cb 0.09 -1.55 -0.05 0.00 1.02 0.00 0.00 30.24 29.76 2ppp n GLN 65 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 2ppp s MET 66 N -3.02 3.55 0.23 -1.09 -1.94 -0.29 -5.07 119.30 111.66 2ppp s MET 66 Ca 0.13 -0.22 0.05 0.00 -1.71 0.00 0.00 55.69 53.94 2ppp s MET 66 Cb 0.18 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 34.03 2ppp s MET 66 CO 0.58 0.55 0.29 -1.54 -0.01 0.00 0.00 175.02 174.89 2ppp s SER 67 N -2.35 6.06 0.16 3.03 1.04 -1.26 -4.12 113.70 116.25 2ppp s SER 67 Ca 0.37 -0.02 -0.33 0.00 0.48 0.00 0.00 55.95 56.45 2ppp s SER 67 Cb -0.13 -1.72 -0.13 0.00 0.10 0.00 0.00 66.02 64.15 2ppp s SER 67 CO 0.25 -0.04 1.64 0.52 0.98 0.00 0.00 173.24 176.59 2ppp n VAL 68 N -1.17 0.05 0.00 5.02 0.31 -0.12 -1.17 118.33 121.25 2ppp n VAL 68 Ca -0.08 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2ppp n VAL 68 Cb 0.57 -1.68 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2ppp n VAL 68 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ppp n GLY 69 N 3.63 0.88 3.76 2.92 0.00 0.34 -1.43 105.19 115.28 2ppp n GLY 69 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2ppp n GLY 69 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2ppp s GLN 70 N -0.88 4.73 -0.08 1.61 0.74 -0.31 -4.13 119.66 121.34 2ppp s GLN 70 Ca 0.00 1.41 0.04 0.00 0.05 0.00 0.00 55.36 56.86 2ppp s GLN 70 Cb 0.00 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 31.03 2ppp s GLN 70 CO 0.00 0.41 -0.20 0.50 -0.55 0.00 0.00 175.29 175.46 2ppp s ARG 71 N -1.57 2.77 0.02 1.67 3.52 -0.01 -1.03 118.95 124.32 2ppp s ARG 71 Ca 0.45 -0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 55.12 2ppp s ARG 71 Cb -0.23 -2.33 0.02 0.00 -1.56 0.00 0.00 34.95 30.85 2ppp s ARG 71 CO 0.28 0.38 0.26 0.00 -0.81 0.00 0.00 175.30 175.42 2ppp s ALA 72 N -0.13 -0.60 -0.13 6.12 0.00 0.39 -0.20 121.76 127.20 2ppp s ALA 72 Ca -0.03 0.01 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 2ppp s ALA 72 Cb -0.14 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.17 2ppp s ALA 72 CO 0.04 -0.34 0.60 0.21 0.00 0.00 0.00 175.76 176.26 2ppp s LYS 73 N -2.13 4.32 -0.29 0.00 2.20 0.12 -0.73 119.74 123.22 2ppp s LYS 73 Ca -0.08 0.63 -0.05 0.00 -0.36 0.00 0.00 55.97 56.11 2ppp s LYS 73 Cb -0.03 -3.49 0.02 0.00 -1.51 0.00 0.00 37.83 32.83 2ppp s LYS 73 CO -0.01 -0.01 0.05 -0.51 -0.36 0.00 0.00 175.35 174.50 2ppp s LEU 74 N 1.14 3.81 -0.35 5.43 1.02 0.10 -0.75 118.68 129.08 2ppp s LEU 74 Ca 0.30 -0.90 -0.15 0.00 0.02 0.00 0.00 54.13 53.40 2ppp s LEU 74 Cb -0.16 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 2ppp s LEU 74 CO 0.13 -0.21 0.37 -0.89 0.02 0.00 0.00 176.35 175.76 2ppp s THR 75 N 1.41 5.16 -0.20 5.49 2.01 -0.08 -0.80 115.64 128.63 2ppp s THR 75 Ca 0.00 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2ppp s THR 75 Cb -0.18 -3.84 0.01 0.00 0.01 0.00 0.00 72.50 68.50 2ppp s THR 75 CO 0.01 -0.11 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.08 2ppp s ILE 76 N 2.03 2.75 0.66 1.82 1.01 0.68 -1.12 121.20 129.03 2ppp s ILE 76 Ca 0.12 -0.74 -0.17 0.00 0.00 0.00 0.00 60.65 59.86 2ppp s ILE 76 Cb -0.17 -2.23 -0.00 0.00 0.01 0.00 0.00 42.46 40.07 2ppp s ILE 76 CO 0.12 0.45 1.24 -0.55 0.00 0.00 0.00 174.94 176.20 2ppp s SER 77 N 1.38 4.68 0.54 3.58 0.15 -0.07 -1.02 113.70 122.95 2ppp s SER 77 Ca 0.05 2.45 0.25 0.00 0.70 0.00 0.00 55.95 59.40 2ppp s SER 77 Cb -0.14 -2.60 1.42 0.00 -1.71 0.00 0.00 66.02 62.99 2ppp s SER 77 CO -0.08 -1.94 2.03 1.55 1.20 0.00 0.00 173.24 176.00 2ppp h PRO 78 N 0.39 0.00 -0.22 5.44 0.13 -1.81 -0.09 132.00 135.84 2ppp h PRO 78 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.67 2ppp h PRO 78 Cb 1.31 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 2ppp h PRO 78 CO 0.53 0.00 0.15 -0.44 -0.23 0.00 0.00 178.00 178.01 2ppp h ASP 79 N 0.00 0.10 -0.40 1.44 3.45 -1.90 0.67 116.42 119.78 2ppp h ASP 79 Ca 0.19 -0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.65 2ppp h ASP 79 Cb 0.79 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 39.54 2ppp h ASP 79 CO -0.00 0.07 0.00 -1.22 -1.57 0.00 0.00 179.24 176.52 2ppp n TYR 80 N -4.49 1.00 0.00 4.55 4.02 -0.08 -4.83 117.16 117.32 2ppp n TYR 80 Ca 0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 2ppp n TYR 80 Cb 0.21 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2ppp n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2ppp n ALA 81 N 0.28 0.00 0.11 -0.72 0.00 -0.54 -0.62 120.51 119.02 2ppp n ALA 81 Ca 0.20 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.70 2ppp n ALA 81 Cb 0.77 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.34 2ppp n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2ppp n TYR 82 N 0.00 0.30 -4.92 0.00 4.02 -1.18 -4.78 117.16 110.59 2ppp n TYR 82 Ca 0.00 -0.29 0.00 0.00 -0.01 0.00 0.00 57.90 57.60 2ppp n TYR 82 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 2ppp n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ppp n GLY 83 N 0.67 0.94 0.25 2.72 0.00 0.12 -1.51 105.19 108.38 2ppp n GLY 83 Ca 0.11 -0.64 -0.03 0.00 0.00 0.00 0.00 46.02 45.46 2ppp n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ppp h ALA 84 N -0.92 1.17 0.07 4.61 0.00 -1.95 -0.41 119.26 121.83 2ppp h ALA 84 Ca 0.00 -0.30 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 2ppp h ALA 84 Cb 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.66 2ppp h ALA 84 CO 0.00 0.53 -1.11 1.79 0.00 0.00 0.00 179.25 180.46 2ppp h THR 85 N 0.48 1.42 -0.33 0.00 1.35 -1.92 -3.34 112.91 110.58 2ppp h THR 85 Ca 0.08 -2.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 2ppp h THR 85 Cb 0.56 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.65 2ppp h THR 85 CO 0.04 0.80 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 2ppp n GLY 86 N 1.24 0.66 2.65 5.82 0.00 -0.57 -4.36 105.19 110.62 2ppp n GLY 86 Ca -0.08 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 2ppp n GLY 86 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2ppp s HIS 87 N 0.00 1.74 0.09 1.61 5.04 0.34 -4.93 115.29 119.18 2ppp s HIS 87 Ca 0.00 -2.31 -0.37 0.00 -1.54 0.00 0.00 55.06 50.85 2ppp s HIS 87 Cb 0.00 -1.66 -0.17 0.00 0.04 0.00 0.00 32.58 30.80 2ppp s HIS 87 CO 0.00 -0.78 1.36 -2.30 -2.34 0.00 0.00 174.74 170.68 2ppp n PRO 88 N 3.50 1.21 0.00 2.88 -0.02 -1.25 -0.78 135.00 140.54 2ppp n PRO 88 Ca 0.12 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2ppp n PRO 88 Cb 0.36 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2ppp n PRO 88 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ppp n GLY 89 N 2.60 2.61 1.01 -1.23 0.00 -1.26 -4.79 105.19 104.12 2ppp n GLY 89 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2ppp n GLY 89 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2ppp n ILE 90 N -0.09 0.60 -4.08 -0.61 2.08 -0.18 -5.02 119.36 112.06 2ppp n ILE 90 Ca 0.00 0.19 -0.33 0.00 0.56 0.00 0.00 62.75 63.17 2ppp n ILE 90 Cb 0.00 -1.55 -0.15 0.00 -0.75 0.00 0.00 39.64 37.19 2ppp n ILE 90 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 2ppp s ILE 91 N -2.01 2.22 0.96 1.39 -1.09 0.04 -4.98 121.20 117.73 2ppp s ILE 91 Ca -0.00 -1.18 -0.12 0.00 -2.23 0.00 0.00 60.65 57.11 2ppp s ILE 91 Cb 0.00 -2.09 0.17 0.00 -1.58 0.00 0.00 42.46 38.96 2ppp s ILE 91 CO 0.01 0.30 1.09 -2.84 -1.23 0.00 0.00 174.94 172.27 2ppp s PRO 92 N 1.23 0.74 0.40 2.79 0.02 -1.26 -0.50 135.00 138.42 2ppp s PRO 92 Ca -0.00 0.65 -0.27 0.00 0.02 0.00 0.00 61.00 61.40 2ppp s PRO 92 Cb -0.16 -1.76 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 2ppp s PRO 92 CO -0.09 -2.55 1.38 -2.30 -0.33 0.00 0.00 177.00 173.11 2ppp n PRO 93 N -4.07 2.28 -3.57 5.54 -0.02 -1.26 -3.22 135.00 130.68 2ppp n PRO 93 Ca 0.06 0.80 -0.26 0.00 -2.02 0.00 0.00 63.50 62.08 2ppp n PRO 93 Cb 0.56 -2.53 0.02 0.00 -0.02 0.00 0.00 33.50 31.54 2ppp n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2ppp n HIS 94 N 0.07 -2.13 -2.71 6.00 8.25 -0.17 -4.94 115.22 119.59 2ppp n HIS 94 Ca 0.04 0.72 -0.42 0.00 -0.26 0.00 0.00 57.72 57.80 2ppp n HIS 94 Cb 0.39 -3.86 -0.03 0.00 1.12 0.00 0.00 29.99 27.62 2ppp n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2ppp s ALA 95 N -3.17 3.16 0.04 -1.41 0.00 -1.20 -4.68 121.76 114.50 2ppp s ALA 95 Ca 0.52 0.54 -0.29 0.00 0.00 0.00 0.00 51.96 52.73 2ppp s ALA 95 Cb -0.26 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 2ppp s ALA 95 CO 0.64 -0.23 0.93 0.99 0.00 0.00 0.00 175.76 178.10 2ppp s THR 96 N 0.98 4.75 0.13 0.00 2.01 -1.26 -3.00 115.64 119.25 2ppp s THR 96 Ca 0.52 1.98 0.08 0.00 0.31 0.00 0.00 61.69 64.57 2ppp s THR 96 Cb -0.21 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 67.98 2ppp s THR 96 CO 0.28 0.24 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 2ppp s LEU 97 N 0.56 3.00 -0.13 4.42 1.43 -0.18 -2.79 118.68 124.98 2ppp s LEU 97 Ca 0.48 -0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.12 2ppp s LEU 97 Cb -0.21 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.27 2ppp s LEU 97 CO 0.27 0.15 -0.14 -0.69 0.23 0.00 0.00 176.35 176.17 2ppp s VAL 98 N -1.40 1.50 -0.14 -1.59 1.01 -0.33 -0.23 120.40 119.23 2ppp s VAL 98 Ca 0.22 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2ppp s VAL 98 Cb -0.10 -1.40 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 2ppp s VAL 98 CO 0.14 0.44 -0.14 -0.36 0.00 0.00 0.00 175.10 175.18 2ppp s PHE 99 N 1.26 2.78 -0.41 5.22 0.40 0.02 -0.47 117.98 126.79 2ppp s PHE 99 Ca -0.01 -0.79 -0.18 0.00 -0.60 0.00 0.00 56.93 55.35 2ppp s PHE 99 Cb -0.14 -1.85 0.02 0.00 0.51 0.00 0.00 43.02 41.56 2ppp s PHE 99 CO -0.06 -0.31 0.49 0.34 0.70 0.00 0.00 175.22 176.38 2ppp s ASP 100 N 0.50 6.24 -0.04 1.36 -1.08 -0.45 0.00 116.67 123.21 2ppp s ASP 100 Ca -0.10 -0.48 0.05 0.00 -0.52 0.00 0.00 52.55 51.50 2ppp s ASP 100 Cb -0.16 -2.25 -0.01 0.00 -1.46 0.00 0.00 42.92 39.04 2ppp s ASP 100 CO 0.04 -0.60 -0.19 -0.69 0.52 0.00 0.00 175.17 174.25 2ppp s VAL 101 N 2.32 1.57 -0.16 1.11 1.01 0.09 -1.12 120.40 125.22 2ppp s VAL 101 Ca 0.15 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2ppp s VAL 101 Cb -0.16 -1.34 0.01 0.00 0.00 0.00 0.00 36.38 34.89 2ppp s VAL 101 CO 0.15 0.45 -0.18 -0.70 0.00 0.00 0.00 175.10 174.81 2ppp s GLU 102 N -0.10 3.10 -0.54 2.72 2.12 0.39 -0.46 118.70 125.93 2ppp s GLU 102 Ca -0.02 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.26 2ppp s GLU 102 Cb -0.11 -2.55 0.04 0.00 0.26 0.00 0.00 34.13 31.76 2ppp s GLU 102 CO 0.02 -0.05 1.01 -1.17 -0.54 0.00 0.00 175.26 174.52 2ppp s LEU 103 N 0.94 3.92 -0.09 2.70 2.96 -0.20 -1.62 118.68 127.29 2ppp s LEU 103 Ca -0.03 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.49 2ppp s LEU 103 Cb -0.15 -2.98 -0.29 0.00 0.50 0.00 0.00 46.19 43.27 2ppp s LEU 103 CO -0.04 -1.26 0.79 -0.07 -1.32 0.00 0.00 176.35 174.45 2ppp h LEU 104 N 11.15 0.30 -7.45 -0.68 3.38 -1.10 0.97 115.31 121.88 2ppp h LEU 104 Ca -0.25 -0.94 0.18 0.00 0.09 0.00 0.00 57.88 56.96 2ppp h LEU 104 Cb 1.07 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.62 2ppp h LEU 104 CO 1.10 1.31 0.53 -1.59 0.09 0.00 0.00 178.44 179.89 2ppp s LYS 105 N -2.37 1.00 -0.01 1.13 -2.85 -1.17 -4.48 119.74 110.98 2ppp s LYS 105 Ca -0.17 -0.52 0.06 0.00 -1.00 0.00 0.00 55.97 54.35 2ppp s LYS 105 Cb 0.00 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.11 2ppp s LYS 105 CO 0.77 -0.45 -0.20 -0.51 0.10 0.00 0.00 175.35 175.05 2ppp s LEU 106 N -2.82 2.40 0.00 2.77 1.43 -1.26 -1.36 118.68 119.84 2ppp s LEU 106 Ca 0.11 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2ppp s LEU 106 Cb -0.01 -1.44 0.00 0.00 0.03 0.00 0.00 46.19 44.77 2ppp s LEU 106 CO -0.01 0.31 0.00 -1.84 0.23 0.00 0.00 176.35 175.04