#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp h LYS 2 N 0.00 0.36 -6.25 0.03 1.57 -1.98 -3.41 116.57 106.89 2kpp h LYS 2 Ca 0.00 -0.09 -0.56 0.00 -1.87 0.00 0.00 60.65 58.12 2kpp h LYS 2 Cb 0.00 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2kpp h LYS 2 CO 0.00 0.50 1.06 -0.80 -0.57 0.00 0.00 179.45 179.63 2kpp s ASN 3 N -6.82 6.59 -0.09 0.86 -0.87 -1.26 -4.81 114.94 108.55 2kpp s ASN 3 Ca -0.06 1.76 -0.35 0.00 -1.57 0.00 0.00 52.86 52.64 2kpp s ASN 3 Cb 0.15 -2.53 -0.13 0.00 -0.02 0.00 0.00 41.25 38.72 2kpp s ASN 3 CO 0.75 -1.06 1.80 0.35 -2.57 0.00 0.00 177.10 176.37 2kpp n THR 4 N 5.94 0.43 -3.43 1.60 -2.24 -1.26 -4.86 114.28 110.46 2kpp n THR 4 Ca 0.17 -0.08 -0.27 0.00 -2.27 0.00 0.00 64.05 61.61 2kpp n THR 4 Cb 0.45 -1.66 -0.08 0.00 -2.10 0.00 0.00 70.33 66.93 2kpp n THR 4 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kpp n GLY 5 N 4.16 4.35 3.16 3.38 0.00 -1.26 -5.00 105.19 114.00 2kpp n GLY 5 Ca 0.22 -2.52 -0.40 0.00 0.00 0.00 0.00 46.02 43.32 2kpp n GLY 5 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kpp n ASP 6 N 1.09 3.58 -4.06 1.61 9.92 -1.26 -4.18 116.55 123.25 2kpp n ASP 6 Ca 0.27 -2.79 -0.32 0.00 -0.53 0.00 0.00 54.79 51.43 2kpp n ASP 6 Cb 0.43 -1.53 -0.15 0.00 -0.64 0.00 0.00 41.12 39.22 2kpp n ASP 6 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2kpp s GLU 7 N 4.49 2.12 0.01 -1.24 2.02 -1.26 -4.89 118.70 119.95 2kpp s GLU 7 Ca 0.55 -1.42 0.03 0.00 0.02 0.00 0.00 54.97 54.15 2kpp s GLU 7 Cb 0.10 -2.93 -0.03 0.00 0.10 0.00 0.00 34.13 31.36 2kpp s GLU 7 CO 0.05 -0.62 -0.05 0.14 0.02 0.00 0.00 175.26 174.79 2kpp s VAL 8 N 1.08 3.79 -0.02 2.63 -7.23 -1.26 -0.37 120.40 119.01 2kpp s VAL 8 Ca -0.06 -0.76 0.06 0.00 -1.81 0.00 0.00 61.98 59.41 2kpp s VAL 8 Cb -0.20 -2.67 -0.01 0.00 0.56 0.00 0.00 36.38 34.06 2kpp s VAL 8 CO -0.05 0.37 -0.20 0.68 -0.31 0.00 0.00 175.10 175.58 2kpp s VAL 9 N -1.04 1.63 -0.27 1.32 -7.23 0.60 -1.44 120.40 113.97 2kpp s VAL 9 Ca 0.18 -0.87 -0.14 0.00 -1.81 0.00 0.00 61.98 59.35 2kpp s VAL 9 Cb -0.11 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2kpp s VAL 9 CO 0.09 0.46 0.32 0.00 -0.31 0.00 0.00 175.10 175.66 2kpp s ALA 10 N -0.38 3.55 -0.34 1.32 0.00 0.53 -1.68 121.76 124.77 2kpp s ALA 10 Ca 0.05 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.00 2kpp s ALA 10 Cb -0.09 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.40 2kpp s ALA 10 CO 0.00 -0.63 0.18 0.42 0.00 0.00 0.00 175.76 175.73 2kpp s ILE 11 N 1.97 4.61 -0.23 0.00 -1.09 -0.11 -1.05 121.20 125.31 2kpp s ILE 11 Ca 0.12 -0.60 -0.12 0.00 -2.23 0.00 0.00 60.65 57.83 2kpp s ILE 11 Cb -0.16 -3.44 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 2kpp s ILE 11 CO 0.10 -0.06 0.21 -0.63 -1.23 0.00 0.00 174.94 173.33 2kpp s ILE 12 N 1.59 5.33 0.11 2.92 1.09 0.13 -1.90 121.20 130.46 2kpp s ILE 12 Ca 0.04 0.30 0.06 0.00 -1.10 0.00 0.00 60.65 59.95 2kpp s ILE 12 Cb -0.18 -3.55 -0.03 0.00 -1.06 0.00 0.00 42.46 37.64 2kpp s ILE 12 CO 0.06 0.34 -0.15 -0.55 -0.10 0.00 0.00 174.94 174.54 2kpp s SER 13 N 0.97 2.03 -0.07 3.58 0.15 0.72 -0.73 113.70 120.36 2kpp s SER 13 Ca 0.10 -0.74 -0.09 0.00 0.70 0.00 0.00 55.95 55.92 2kpp s SER 13 Cb -0.13 -0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.12 2kpp s SER 13 CO 0.05 -0.09 0.24 -1.58 1.20 0.00 0.00 173.24 173.06 2kpp s GLN 14 N -2.29 0.37 -0.82 5.44 0.74 0.09 -0.84 119.66 122.35 2kpp s GLN 14 Ca 0.06 0.16 0.00 0.00 0.05 0.00 0.00 55.36 55.63 2kpp s GLN 14 Cb -0.07 0.17 0.00 0.00 1.10 0.00 0.00 33.01 34.21 2kpp s GLN 14 CO 0.03 -0.07 0.00 0.09 -0.55 0.00 0.00 175.29 174.80 2kpp n ASN 15 N 2.49 -5.57 0.00 6.67 3.02 -0.40 -1.25 115.26 120.22 2kpp n ASN 15 Ca -0.15 0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 2kpp n ASN 15 Cb 0.58 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 2kpp n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kpp n GLY 16 N 0.15 0.80 2.92 7.41 0.00 -1.26 -5.09 105.19 110.12 2kpp n GLY 16 Ca -0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 2kpp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 17 N -0.67 0.19 0.15 1.61 -2.85 -0.38 -5.13 119.74 112.66 2kpp s LYS 17 Ca 0.00 -0.13 -0.31 0.00 -1.00 0.00 0.00 55.97 54.53 2kpp s LYS 17 Cb 0.00 -0.15 -0.10 0.00 -2.06 0.00 0.00 37.83 35.52 2kpp s LYS 17 CO 0.00 0.04 1.66 0.08 0.10 0.00 0.00 175.35 177.22 2kpp s VAL 18 N -0.18 2.58 -0.10 1.79 1.01 -1.26 -0.73 120.40 123.51 2kpp s VAL 18 Ca -0.01 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.38 2kpp s VAL 18 Cb -0.02 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 33.02 2kpp s VAL 18 CO -0.00 0.02 0.06 2.30 0.00 0.00 0.00 175.10 177.48 2kpp n ILE 19 N 4.25 0.66 -3.63 2.22 -5.35 0.09 -4.89 119.36 112.70 2kpp n ILE 19 Ca 0.15 -0.44 -0.11 0.00 -0.27 0.00 0.00 62.75 62.08 2kpp n ILE 19 Cb 0.38 -0.59 -0.07 0.00 -1.74 0.00 0.00 39.64 37.62 2kpp n ILE 19 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2kpp s ARG 20 N -2.33 0.71 -0.15 6.28 6.06 -0.97 -5.06 118.95 123.49 2kpp s ARG 20 Ca -0.05 0.90 0.00 0.00 -2.50 0.00 0.00 55.73 54.08 2kpp s ARG 20 Cb 0.04 0.32 0.02 0.00 0.06 0.00 0.00 34.95 35.39 2kpp s ARG 20 CO 0.45 -0.09 -0.14 -1.21 -2.50 0.00 0.00 175.30 171.81 2kpp s GLU 21 N 0.53 2.27 -0.25 5.12 2.02 -1.26 -0.70 118.70 126.42 2kpp s GLU 21 Ca -0.01 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.36 2kpp s GLU 21 Cb -0.05 -2.14 0.01 0.00 0.10 0.00 0.00 34.13 32.06 2kpp s GLU 21 CO -0.04 -0.26 -0.02 0.42 0.02 0.00 0.00 175.26 175.38 2kpp s ILE 22 N 1.48 3.25 -0.26 -1.63 1.09 -0.21 -4.99 121.20 119.92 2kpp s ILE 22 Ca 0.04 -0.83 -0.29 0.00 -1.10 0.00 0.00 60.65 58.48 2kpp s ILE 22 Cb -0.13 -2.62 -0.02 0.00 -1.06 0.00 0.00 42.46 38.63 2kpp s ILE 22 CO -0.10 0.22 1.64 -2.16 -0.10 0.00 0.00 174.94 174.43 2kpp s PRO 23 N 1.40 3.66 -0.02 2.79 0.04 -1.26 -0.35 135.00 141.27 2kpp s PRO 23 Ca 0.02 1.54 -0.20 0.00 0.04 0.00 0.00 61.00 62.40 2kpp s PRO 23 Cb -0.16 -4.07 -0.12 0.00 0.04 0.00 0.00 34.50 30.18 2kpp s PRO 23 CO -0.03 -1.45 0.87 -0.07 0.04 0.00 0.00 177.00 176.36 2kpp h LEU 24 N 12.22 -0.52 -9.49 -3.56 3.38 -1.58 -3.38 115.31 112.38 2kpp h LEU 24 Ca -0.33 -0.05 -0.60 0.00 0.09 0.00 0.00 57.88 57.00 2kpp h LEU 24 Cb 1.15 0.13 0.06 0.00 0.09 0.00 0.00 40.66 42.10 2kpp h LEU 24 CO 1.02 -0.09 0.70 0.41 0.09 0.00 0.00 178.44 180.57 2kpp n THR 25 N -5.19 0.21 0.00 0.22 -1.04 -1.07 -1.31 114.28 106.10 2kpp n THR 25 Ca -0.09 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 2kpp n THR 25 Cb 0.27 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.37 2kpp n THR 25 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kpp n GLY 26 N 3.02 2.61 3.31 3.41 0.00 -1.26 -4.93 105.19 111.35 2kpp n GLY 26 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2kpp n GLY 26 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2kpp n HIS 27 N -2.00 3.58 -2.47 1.61 -0.00 -0.43 -4.90 115.22 110.61 2kpp n HIS 27 Ca 0.00 -2.42 -0.39 0.00 -0.00 0.00 0.00 57.72 54.90 2kpp n HIS 27 Cb 0.00 -2.48 -0.03 0.00 -0.00 0.00 0.00 29.99 27.47 2kpp n HIS 27 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2kpp s LYS 28 N 4.58 3.32 0.00 1.57 1.02 -1.26 -2.35 119.74 126.62 2kpp s LYS 28 Ca 0.56 -0.73 0.00 0.00 0.02 0.00 0.00 55.97 55.82 2kpp s LYS 28 Cb 0.07 -5.01 0.00 0.00 -0.52 0.00 0.00 37.83 32.37 2kpp s LYS 28 CO 0.06 -2.37 0.00 0.41 -0.92 0.00 0.00 175.35 172.53 2kpp n GLY 29 N 6.49 -0.33 3.44 -3.33 0.00 -1.26 -4.94 105.19 105.25 2kpp n GLY 29 Ca 0.26 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.50 2kpp n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kpp s ASN 30 N -4.00 3.61 -0.03 1.61 3.84 -1.26 -0.29 114.94 118.42 2kpp s ASN 30 Ca 0.00 -0.67 -0.14 0.00 0.21 0.00 0.00 52.86 52.26 2kpp s ASN 30 Cb 0.00 -0.38 0.02 0.00 -0.55 0.00 0.00 41.25 40.34 2kpp s ASN 30 CO 0.00 0.17 0.30 -0.70 -2.79 0.00 0.00 177.10 174.09 2kpp s GLU 31 N -2.16 0.61 -0.03 0.43 2.56 0.28 -4.96 118.70 115.43 2kpp s GLU 31 Ca 0.17 -0.09 0.00 0.00 0.00 0.00 0.00 54.97 55.04 2kpp s GLU 31 Cb -0.10 0.27 0.03 0.00 2.00 0.00 0.00 34.13 36.33 2kpp s GLU 31 CO 0.08 -0.16 0.01 -0.65 -0.56 0.00 0.00 175.26 173.99 2kpp s GLN 32 N -1.08 0.21 -0.09 4.30 -0.21 -1.26 -0.10 119.66 121.44 2kpp s GLN 32 Ca -0.11 0.11 -0.05 0.00 0.02 0.00 0.00 55.36 55.32 2kpp s GLN 32 Cb -0.05 -0.43 0.04 0.00 1.00 0.00 0.00 33.01 33.58 2kpp s GLN 32 CO 0.03 -0.15 0.22 -0.59 -2.12 0.00 0.00 175.29 172.69 2kpp s PHE 33 N 1.05 -0.28 -0.17 0.91 -0.71 -0.46 -5.02 117.98 113.30 2kpp s PHE 33 Ca -0.09 0.69 -0.06 0.00 -1.04 0.00 0.00 56.93 56.42 2kpp s PHE 33 Cb -0.13 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.67 2kpp s PHE 33 CO -0.02 -0.20 0.03 0.99 -1.34 0.00 0.00 175.22 174.68 2kpp s THR 34 N 1.03 4.49 -0.36 -4.49 2.01 -1.26 -1.40 115.64 115.66 2kpp s THR 34 Ca -0.08 -0.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.64 2kpp s THR 34 Cb -0.09 -3.00 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 2kpp s THR 34 CO -0.06 0.48 0.29 -0.63 -0.69 0.00 0.00 174.62 174.01 2kpp s ILE 35 N 0.27 5.24 -0.42 1.82 1.09 0.05 -4.90 121.20 124.34 2kpp s ILE 35 Ca 0.01 -0.24 -0.14 0.00 -1.10 0.00 0.00 60.65 59.19 2kpp s ILE 35 Cb -0.13 -3.79 0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2kpp s ILE 35 CO 0.01 -0.10 0.31 -0.54 -0.10 0.00 0.00 174.94 174.52 2kpp s LYS 36 N 1.81 2.91 0.00 2.79 1.02 -1.26 -0.29 119.74 126.72 2kpp s LYS 36 Ca 0.08 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.89 2kpp s LYS 36 Cb -0.17 -3.96 0.00 0.00 -0.52 0.00 0.00 37.83 33.17 2kpp s LYS 36 CO 0.11 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.10 2kpp n GLY 37 N 5.12 1.78 3.44 -3.33 0.00 -0.09 -4.74 105.19 107.37 2kpp n GLY 37 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.47 2kpp n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpp n LYS 38 N 0.00 3.22 0.00 1.61 5.02 -1.26 -4.88 118.16 121.88 2kpp n LYS 38 Ca 0.00 -3.36 0.00 0.00 -2.02 0.00 0.00 58.31 52.93 2kpp n LYS 38 Cb 0.00 -3.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.66 2kpp n LYS 38 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kpp n GLY 39 N 4.87 0.26 0.26 0.72 0.00 -1.26 -1.42 105.19 108.61 2kpp n GLY 39 Ca 0.46 0.47 0.15 0.00 0.00 0.00 0.00 46.02 47.10 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp h ALA 40 N -0.63 1.01 -0.30 4.61 0.00 -1.99 -3.37 119.26 118.59 2kpp h ALA 40 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.18 2kpp h ALA 40 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2kpp h ALA 40 CO 0.00 0.08 2.63 1.04 0.00 0.00 0.00 179.25 183.00 2kpp n GLN 41 N -3.18 2.73 -3.75 0.00 6.02 -0.51 -4.57 117.38 114.12 2kpp n GLN 41 Ca 0.01 -2.72 -0.20 0.00 -0.01 0.00 0.00 57.00 54.08 2kpp n GLN 41 Cb 0.36 -3.34 -0.01 0.00 1.02 0.00 0.00 30.24 28.26 2kpp n GLN 41 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 177.06 177.57 2kpp s TYR 42 N 4.21 3.26 -0.14 1.08 1.13 -1.26 -0.91 117.35 124.72 2kpp s TYR 42 Ca 0.52 -0.13 -0.03 0.00 -1.41 0.00 0.00 57.07 56.02 2kpp s TYR 42 Cb 0.10 -1.76 0.05 0.00 -1.10 0.00 0.00 41.96 39.25 2kpp s TYR 42 CO 0.00 0.23 0.04 -0.80 -2.51 0.00 0.00 175.55 172.51 2kpp s ASN 43 N -4.06 2.23 -0.58 -0.18 -0.87 0.60 -2.55 114.94 109.53 2kpp s ASN 43 Ca 0.39 -0.47 -0.22 0.00 -1.57 0.00 0.00 52.86 50.99 2kpp s ASN 43 Cb -0.09 -0.44 0.06 0.00 -0.02 0.00 0.00 41.25 40.76 2kpp s ASN 43 CO 0.30 -0.27 0.85 -0.22 -2.57 0.00 0.00 177.10 175.18 2kpp s LEU 44 N 1.98 4.53 -0.07 0.60 2.96 -0.23 -0.77 118.68 127.67 2kpp s LEU 44 Ca 0.02 -0.80 -0.11 0.00 -0.22 0.00 0.00 54.13 53.02 2kpp s LEU 44 Cb -0.15 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 43.94 2kpp s LEU 44 CO -0.07 -1.20 0.27 -0.04 -1.32 0.00 0.00 176.35 173.99 2kpp s MET 45 N 3.54 3.76 -0.08 1.98 -1.94 -0.50 -1.48 119.30 124.58 2kpp s MET 45 Ca 0.22 0.13 0.01 0.00 -1.71 0.00 0.00 55.69 54.34 2kpp s MET 45 Cb -0.17 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.46 2kpp s MET 45 CO 0.13 0.67 -0.10 -2.00 -0.01 0.00 0.00 175.02 173.71 2kpp s GLU 46 N -0.84 1.61 -0.28 2.03 2.12 0.00 -1.35 118.70 121.98 2kpp s GLU 46 Ca 0.19 -0.34 -0.05 0.00 0.36 0.00 0.00 54.97 55.12 2kpp s GLU 46 Cb -0.14 -1.45 0.01 0.00 0.26 0.00 0.00 34.13 32.81 2kpp s GLU 46 CO 0.08 -0.09 0.03 0.08 -0.54 0.00 0.00 175.26 174.82 2kpp s VAL 47 N 1.06 3.61 0.45 3.70 1.01 0.86 -1.05 120.40 130.04 2kpp s VAL 47 Ca -0.07 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.20 2kpp s VAL 47 Cb -0.15 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.38 2kpp s VAL 47 CO -0.01 0.13 0.36 -0.62 0.00 0.00 0.00 175.10 174.97 2kpp s ASP 48 N 1.45 4.86 -0.86 3.32 2.15 0.14 0.98 116.67 128.71 2kpp s ASP 48 Ca 0.02 -0.90 -0.08 0.00 0.43 0.00 0.00 52.55 52.01 2kpp s ASP 48 Cb -0.17 -0.34 -0.29 0.00 -0.30 0.00 0.00 42.92 41.83 2kpp s ASP 48 CO 0.00 -0.74 1.87 0.61 -0.17 0.00 0.00 175.17 176.74 2kpp n GLY 49 N -1.56 -0.43 2.42 2.66 0.00 0.60 -0.42 105.19 108.46 2kpp n GLY 49 Ca 0.02 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 2kpp n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kpp n GLU 50 N 4.85 -2.09 -3.62 1.61 1.02 -0.99 -4.93 120.64 116.48 2kpp n GLU 50 Ca 0.59 0.68 -0.15 0.00 -0.02 0.00 0.00 57.16 58.26 2kpp n GLU 50 Cb 0.12 -4.99 -0.07 0.00 -0.02 0.00 0.00 31.44 26.48 2kpp n GLU 50 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 2kpp s ARG 51 N -4.98 0.92 0.04 3.49 1.70 0.44 -4.72 118.95 115.84 2kpp s ARG 51 Ca 0.09 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.34 2kpp s ARG 51 Cb -0.04 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.74 2kpp s ARG 51 CO 0.11 -0.29 -0.07 -1.50 -1.08 0.00 0.00 175.30 172.47 2kpp s ILE 52 N -1.57 0.46 0.24 4.99 2.07 -0.08 0.26 121.20 127.58 2kpp s ILE 52 Ca -0.10 -1.08 -0.17 0.00 -1.41 0.00 0.00 60.65 57.88 2kpp s ILE 52 Cb -0.02 -0.59 0.01 0.00 0.13 0.00 0.00 42.46 42.00 2kpp s ILE 52 CO 0.05 -0.43 0.57 0.00 -1.91 0.00 0.00 174.94 173.22 2kpp s ARG 53 N -1.66 1.59 -0.28 3.50 1.70 -0.22 -0.61 118.95 122.97 2kpp s ARG 53 Ca -0.10 -1.06 -0.10 0.00 -0.47 0.00 0.00 55.73 54.00 2kpp s ARG 53 Cb -0.09 0.53 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 2kpp s ARG 53 CO -0.00 -0.69 0.15 0.42 -1.08 0.00 0.00 175.30 174.10 2kpp s ILE 54 N -3.95 4.92 0.07 4.99 1.01 -1.26 -0.82 121.20 126.16 2kpp s ILE 54 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 2kpp s ILE 54 Cb -0.03 -3.36 -0.29 0.00 0.01 0.00 0.00 42.46 38.80 2kpp s ILE 54 CO 0.05 0.25 1.12 0.11 0.00 0.00 0.00 174.94 176.47 2kpp h LYS 55 N 8.33 0.49 -1.52 2.79 1.57 -1.62 -3.37 116.57 123.25 2kpp h LYS 55 Ca -0.36 -0.71 0.08 0.00 -1.87 0.00 0.00 60.65 57.80 2kpp h LYS 55 Cb 1.18 0.25 -0.27 0.00 0.08 0.00 0.00 32.23 33.46 2kpp h LYS 55 CO 0.57 1.32 0.51 -2.00 -0.57 0.00 0.00 179.45 179.27 2kpp s GLU 56 N -2.86 0.43 0.09 3.15 2.12 -1.25 -4.96 118.70 115.42 2kpp s GLU 56 Ca -0.07 0.53 -0.04 0.00 0.36 0.00 0.00 54.97 55.75 2kpp s GLU 56 Cb 0.06 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.62 2kpp s GLU 56 CO 0.92 -0.05 0.07 0.16 -0.54 0.00 0.00 175.26 175.81 2kpp s ASP 57 N 0.34 0.32 -1.41 -1.70 -4.77 -1.26 -1.07 116.67 107.12 2kpp s ASP 57 Ca 0.02 -0.95 -0.10 0.00 -3.30 0.00 0.00 52.55 48.23 2kpp s ASP 57 Cb -0.05 0.27 0.07 0.00 -1.09 0.00 0.00 42.92 42.13 2kpp s ASP 57 CO -0.09 -0.68 2.28 -3.20 0.70 0.00 0.00 175.17 174.19 2kpp n ASN 58 N -0.00 5.96 -4.16 2.11 5.15 -1.06 -4.91 115.26 118.35 2kpp n ASN 58 Ca -0.12 -2.93 -0.21 0.00 -0.60 0.00 0.00 54.58 50.72 2kpp n ASN 58 Cb 0.62 -1.53 -0.13 0.00 -0.53 0.00 0.00 39.78 38.21 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2kpp s SER 59 N 1.71 1.82 0.22 1.20 0.15 -1.26 -4.80 113.70 112.75 2kpp s SER 59 Ca 0.50 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.66 2kpp s SER 59 Cb 0.14 -0.12 0.22 0.00 -1.71 0.00 0.00 66.02 64.55 2kpp s SER 59 CO -0.05 0.05 1.59 1.55 1.20 0.00 0.00 173.24 177.58 2kpp h PRO 60 N 4.89 0.55 0.06 5.44 0.13 -2.02 -3.30 132.00 137.76 2kpp h PRO 60 Ca -0.39 -0.28 -0.17 0.00 -0.87 0.00 0.00 66.00 64.28 2kpp h PRO 60 Cb 1.18 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.33 2kpp h PRO 60 CO 0.44 0.87 -0.71 0.38 -0.23 0.00 0.00 178.00 178.74 2kpp h ASP 61 N 0.46 0.52 -1.91 1.44 3.04 -1.98 -3.48 116.42 114.50 2kpp h ASP 61 Ca 0.04 -0.84 -0.35 0.00 -3.24 0.00 0.00 57.03 52.64 2kpp h ASP 61 Cb 0.91 -0.16 -0.06 0.00 -1.04 0.00 0.00 39.33 38.97 2kpp h ASP 61 CO 0.08 1.31 -0.40 0.00 -2.04 0.00 0.00 179.24 178.18 2kpp n GLN 62 N -4.16 -1.32 -0.32 4.15 1.13 -1.24 -4.89 117.38 110.72 2kpp n GLN 62 Ca -0.12 0.93 0.07 0.00 -1.94 0.00 0.00 57.00 55.95 2kpp n GLN 62 Cb 0.75 -5.32 0.23 0.00 0.11 0.00 0.00 30.24 26.01 2kpp n GLN 62 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2kpp h VAL 63 N 0.00 0.80 -0.88 5.09 2.07 -1.93 0.25 116.25 121.65 2kpp h VAL 63 Ca -0.39 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 66.91 2kpp h VAL 63 Cb 1.25 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2kpp h VAL 63 CO 0.50 0.14 0.58 1.23 0.02 0.00 0.00 177.57 180.03 2kpp h GLY 64 N 0.76 1.26 1.15 2.17 0.00 -1.91 -0.88 103.07 105.63 2kpp h GLY 64 Ca 0.47 -0.42 -0.19 0.00 0.00 0.00 0.00 47.33 47.19 2kpp h GLY 64 CO -0.32 0.35 -0.56 -2.08 0.00 0.00 0.00 176.54 173.93 2kpp h VAL 65 N 1.07 1.27 0.00 4.60 2.07 -1.16 -3.02 116.25 121.08 2kpp h VAL 65 Ca 0.36 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 2kpp h VAL 65 Cb 0.07 1.63 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 2kpp h VAL 65 CO -0.11 0.57 -0.13 0.11 0.02 0.00 0.00 177.57 178.02 2kpp h LYS 66 N 0.68 0.00 -0.51 1.57 6.56 -0.79 -2.82 116.57 121.26 2kpp h LYS 66 Ca 0.01 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.60 2kpp h LYS 66 Cb 1.17 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.80 2kpp h LYS 66 CO 0.12 0.13 0.29 0.52 -2.06 0.00 0.00 179.45 178.46 2kpp h MET 67 N 0.00 0.70 0.00 3.15 2.86 -1.04 -3.49 114.93 117.11 2kpp h MET 67 Ca -0.00 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2kpp h MET 67 Cb 0.23 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.75 2kpp h MET 67 CO 0.02 0.52 0.00 0.41 1.06 0.00 0.00 176.91 178.92 2kpp n GLY 68 N -1.07 -0.18 3.61 8.32 0.00 -1.07 -4.73 105.19 110.07 2kpp n GLY 68 Ca 0.02 -1.05 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2kpp n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpp s TRP 69 N 0.00 2.55 -0.03 1.61 0.52 -1.26 -4.40 118.94 117.93 2kpp s TRP 69 Ca 0.00 0.72 -0.02 0.00 0.02 0.00 0.00 56.10 56.82 2kpp s TRP 69 Cb 0.00 -4.27 -0.04 0.00 -1.15 0.00 0.00 33.47 28.01 2kpp s TRP 69 CO 0.00 -1.76 0.08 0.15 0.02 0.00 0.00 176.95 175.45 2kpp s LYS 70 N 4.69 3.13 0.00 4.98 -0.14 0.22 -4.92 119.74 127.70 2kpp s LYS 70 Ca 0.57 -0.41 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2kpp s LYS 70 Cb -0.13 -2.91 0.00 0.00 -1.68 0.00 0.00 37.83 33.11 2kpp s LYS 70 CO 0.31 0.68 0.24 -1.13 -0.76 0.00 0.00 175.35 174.68 2kpp n SER 71 N 1.44 0.00 -4.44 2.83 3.41 -1.26 -0.90 113.62 114.70 2kpp n SER 71 Ca -0.15 -0.54 -0.31 0.00 -0.26 0.00 0.00 58.87 57.62 2kpp n SER 71 Cb 0.53 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.35 2kpp n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 72 N 0.00 2.02 -0.73 4.33 3.01 -1.26 -4.98 119.74 122.14 2kpp s LYS 72 Ca 0.00 -1.00 -0.26 0.00 -1.01 0.00 0.00 55.97 53.70 2kpp s LYS 72 Cb 0.00 -2.15 -0.09 0.00 -1.01 0.00 0.00 37.83 34.58 2kpp s LYS 72 CO 0.00 0.54 2.23 0.00 0.51 0.00 0.00 175.35 178.63 2kpp s ALA 73 N -0.90 1.30 0.00 5.17 0.00 -1.26 -1.87 121.76 124.20 2kpp s ALA 73 Ca 0.14 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2kpp s ALA 73 Cb -0.10 -4.49 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2kpp s ALA 73 CO 0.05 -5.10 0.00 0.41 0.00 0.00 0.00 175.76 171.11 2kpp n GLY 74 N 6.51 0.70 3.75 0.00 0.00 -0.65 -4.93 105.19 110.57 2kpp n GLY 74 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 2kpp n GLY 74 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 75 N 0.00 6.71 0.03 1.61 1.01 -0.78 -4.84 116.67 120.41 2kpp s ASP 75 Ca 0.00 2.62 0.03 0.00 0.71 0.00 0.00 52.55 55.91 2kpp s ASP 75 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2kpp s ASP 75 CO 0.00 -0.66 -0.10 0.42 0.21 0.00 0.00 175.17 175.04 2kpp s THR 76 N -0.09 0.80 -0.11 -1.27 -4.23 -1.26 -0.65 115.64 108.83 2kpp s THR 76 Ca 0.58 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2kpp s THR 76 Cb -0.41 -0.76 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 2kpp s THR 76 CO 0.43 -0.09 -0.20 -0.63 -0.54 0.00 0.00 174.62 173.59 2kpp s ILE 77 N -0.87 2.44 -0.18 2.99 -1.09 0.80 -4.99 121.20 120.30 2kpp s ILE 77 Ca -0.02 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 2kpp s ILE 77 Cb -0.07 -1.97 0.03 0.00 -1.58 0.00 0.00 42.46 38.87 2kpp s ILE 77 CO 0.01 0.55 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.44 2kpp s VAL 78 N 0.35 1.67 -0.77 2.92 1.01 -1.26 -1.00 120.40 123.31 2kpp s VAL 78 Ca -0.16 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 60.98 2kpp s VAL 78 Cb -0.17 -1.64 0.19 0.00 0.00 0.00 0.00 36.38 34.75 2kpp s VAL 78 CO 0.08 0.32 0.60 0.00 0.00 0.00 0.00 175.10 176.10 2kpp h LEU 80 N 5.78 -0.62 -1.40 0.00 6.46 -1.97 -2.00 115.31 121.56 2kpp h LEU 80 Ca 0.13 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.97 2kpp h LEU 80 Cb 0.79 0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2kpp h LEU 80 CO 0.77 -0.30 0.00 -2.65 -0.62 0.00 0.00 178.44 175.65 2kpp n PRO 81 N -5.34 0.14 0.00 5.25 -0.02 -1.26 -1.11 135.00 132.66 2kpp n PRO 81 Ca -0.06 0.63 0.08 0.00 -2.02 0.00 0.00 63.50 62.14 2kpp n PRO 81 Cb 0.25 -1.95 0.01 0.00 -0.02 0.00 0.00 33.50 31.80 2kpp n PRO 81 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 2kpp n HIS 82 N -2.24 0.00 -1.69 6.00 8.25 -0.79 -4.97 115.22 119.79 2kpp n HIS 82 Ca -0.01 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2kpp n HIS 82 Cb 0.03 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.07 2kpp n HIS 82 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2kpp n LYS 83 N 0.14 -1.43 -4.03 -0.41 5.02 -0.26 -4.74 118.16 112.44 2kpp n LYS 83 Ca 0.08 1.18 -0.34 0.00 -2.02 0.00 0.00 58.31 57.20 2kpp n LYS 83 Cb 0.37 -5.57 -0.10 0.00 -0.02 0.00 0.00 35.03 29.71 2kpp n LYS 83 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kpp s VAL 84 N -2.78 4.73 -0.02 -0.18 1.01 -0.98 -1.28 120.40 120.91 2kpp s VAL 84 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 61.98 61.94 2kpp s VAL 84 Cb 0.00 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 33.26 2kpp s VAL 84 CO 0.00 0.47 -0.04 0.12 0.00 0.00 0.00 175.10 175.64 2kpp s PHE 85 N 0.34 0.50 0.03 5.22 5.36 -0.02 -1.15 117.98 128.26 2kpp s PHE 85 Ca 0.03 -0.10 0.05 0.00 -0.96 0.00 0.00 56.93 55.95 2kpp s PHE 85 Cb -0.12 -0.39 -0.02 0.00 -0.34 0.00 0.00 43.02 42.15 2kpp s PHE 85 CO 0.00 -0.06 -0.16 0.08 -1.46 0.00 0.00 175.22 173.63 2kpp s VAL 86 N 0.24 1.23 -0.02 3.12 1.01 -0.17 -0.20 120.40 125.61 2kpp s VAL 86 Ca -0.02 -0.97 -0.05 0.00 0.00 0.00 0.00 61.98 60.93 2kpp s VAL 86 Cb -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2kpp s VAL 86 CO -0.00 0.10 0.11 -1.83 0.00 0.00 0.00 175.10 173.48 2kpp s GLU 87 N -1.01 0.29 -0.34 2.72 -1.05 -0.80 -0.14 118.70 118.37 2kpp s GLU 87 Ca 0.04 -0.12 -0.09 0.00 -0.15 0.00 0.00 54.97 54.64 2kpp s GLU 87 Cb -0.08 0.12 0.02 0.00 -0.44 0.00 0.00 34.13 33.76 2kpp s GLU 87 CO 0.01 -0.06 0.16 0.42 0.95 0.00 0.00 175.26 176.74 2kpp s ILE 88 N -0.63 4.31 0.02 1.83 1.01 0.18 -0.93 121.20 126.98 2kpp s ILE 88 Ca -0.07 -0.83 0.08 0.00 0.00 0.00 0.00 60.65 59.83 2kpp s ILE 88 Cb -0.04 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.05 2kpp s ILE 88 CO 0.01 -0.13 -0.22 -1.59 0.00 0.00 0.00 174.94 173.01 2kpp s LYS 89 N 1.52 2.04 -0.19 2.79 -2.85 -0.68 -1.64 119.74 120.73 2kpp s LYS 89 Ca 0.02 -0.98 -0.24 0.00 -1.00 0.00 0.00 55.97 53.77 2kpp s LYS 89 Cb -0.19 -2.11 -0.01 0.00 -2.06 0.00 0.00 37.83 33.46 2kpp s LYS 89 CO 0.05 0.55 0.79 0.45 0.10 0.00 0.00 175.35 177.28 2kpp s SER 90 N -1.09 6.87 0.33 0.03 0.15 -1.26 -0.29 113.70 118.44 2kpp s SER 90 Ca 0.12 1.07 0.18 0.00 0.70 0.00 0.00 55.95 58.02 2kpp s SER 90 Cb -0.10 -2.43 0.29 0.00 -1.71 0.00 0.00 66.02 62.07 2kpp s SER 90 CO 0.02 -0.39 1.55 0.00 1.20 0.00 0.00 173.24 175.62 2kpp h THR 91 N 5.24 0.74 -2.98 6.45 1.03 -1.06 -3.45 112.91 118.87 2kpp h THR 91 Ca -0.28 -1.87 -0.64 0.00 -0.01 0.00 0.00 66.41 63.61 2kpp h THR 91 Cb 1.13 2.23 -0.16 0.00 -1.07 0.00 0.00 68.15 70.28 2kpp h THR 91 CO 0.83 0.39 -0.77 -1.10 -0.01 0.00 0.00 175.52 174.86 2kpp s GLN 92 N -3.15 1.78 -0.18 0.00 -1.52 -1.22 -5.07 119.66 110.29 2kpp s GLN 92 Ca 0.03 -1.45 -0.12 0.00 -1.95 0.00 0.00 55.36 51.87 2kpp s GLN 92 Cb 0.08 -1.97 -0.05 0.00 -0.22 0.00 0.00 33.01 30.85 2kpp s GLN 92 CO 0.71 0.40 0.23 0.15 -0.25 0.00 0.00 175.29 176.54 2kpp s LYS 93 N -2.86 4.21 0.62 2.91 -0.14 -1.26 -4.59 119.74 118.63 2kpp s LYS 93 Ca 0.24 -0.04 -0.09 0.00 -1.36 0.00 0.00 55.97 54.71 2kpp s LYS 93 Cb -0.08 -3.44 -0.02 0.00 -1.68 0.00 0.00 37.83 32.61 2kpp s LYS 93 CO 0.13 0.23 0.99 0.34 -0.76 0.00 0.00 175.35 176.28 2kpp s ASP 94 N 0.52 5.93 -0.03 2.83 2.15 -1.26 -4.01 116.67 122.80 2kpp s ASP 94 Ca 0.13 1.16 0.17 0.00 0.43 0.00 0.00 52.55 54.44 2kpp s ASP 94 Cb -0.12 -2.18 0.51 0.00 -0.30 0.00 0.00 42.92 40.83 2kpp s ASP 94 CO 0.02 -0.98 1.43 -0.24 -0.17 0.00 0.00 175.17 175.23 2kpp n SER 95 N -2.72 3.65 -4.38 -0.34 2.88 -1.26 -4.93 113.62 106.51 2kpp n SER 95 Ca 0.05 -2.13 -0.26 0.00 -1.33 0.00 0.00 58.87 55.20 2kpp n SER 95 Cb 0.56 -0.40 -0.12 0.00 -0.75 0.00 0.00 64.21 63.50 2kpp n SER 95 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2kpp s LYS 96 N -1.24 1.40 -0.02 -1.46 3.01 -1.26 -5.09 119.74 115.09 2kpp s LYS 96 Ca 0.38 -1.42 -0.19 0.00 -1.01 0.00 0.00 55.97 53.74 2kpp s LYS 96 Cb 0.22 -1.73 -0.05 0.00 -1.01 0.00 0.00 37.83 35.25 2kpp s LYS 96 CO 0.23 0.39 0.53 -0.51 0.51 0.00 0.00 175.35 176.50 2kpp s ASP 97 N -2.41 6.89 0.00 2.83 1.01 -1.26 -4.98 116.67 118.74 2kpp s ASP 97 Ca 0.16 1.06 0.16 0.00 0.71 0.00 0.00 52.55 54.64 2kpp s ASP 97 Cb -0.08 -2.32 0.80 0.00 1.01 0.00 0.00 42.92 42.32 2kpp s ASP 97 CO 0.08 0.14 1.44 -0.81 0.21 0.00 0.00 175.17 176.23 2kpp n PRO 98 N 2.65 0.24 -3.24 8.23 -0.04 -1.26 -4.49 135.00 137.09 2kpp n PRO 98 Ca -0.09 0.13 -0.46 0.00 -0.04 0.00 0.00 63.50 63.04 2kpp n PRO 98 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2kpp n PRO 98 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2kpp s ASP 99 N -2.54 6.37 -0.14 3.54 -1.08 -1.26 -5.04 116.67 116.52 2kpp s ASP 99 Ca 0.15 -1.97 -0.05 0.00 -0.52 0.00 0.00 52.55 50.17 2kpp s ASP 99 Cb 0.11 -2.25 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 2kpp s ASP 99 CO 0.24 -0.86 0.02 0.42 0.52 0.00 0.00 175.17 175.50 2kpp s THR 100 N 1.55 4.40 0.09 1.71 -4.23 -1.26 -5.11 115.64 112.78 2kpp s THR 100 Ca 0.11 -0.19 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 2kpp s THR 100 Cb -0.21 -2.93 -0.04 0.00 1.34 0.00 0.00 72.50 70.66 2kpp s THR 100 CO -0.00 0.52 0.02 1.51 -0.54 0.00 0.00 174.62 176.12 2kpp s ASP 101 N -0.04 0.40 -0.27 3.99 1.47 -1.26 -5.16 116.67 115.80 2kpp s ASP 101 Ca 0.04 -1.07 -0.04 0.00 1.18 0.00 0.00 52.55 52.66 2kpp s ASP 101 Cb -0.13 0.25 0.15 0.00 -0.34 0.00 0.00 42.92 42.85 2kpp s ASP 101 CO 0.02 -0.66 0.51 -1.48 0.68 0.00 0.00 175.17 174.24 2kpp s LEU 102 N -2.97 -1.02 -0.14 2.11 0.05 -1.26 -5.03 118.68 110.43 2kpp s LEU 102 Ca 0.14 0.81 -0.11 0.00 0.05 0.00 0.00 54.13 55.02 2kpp s LEU 102 Cb 0.08 1.76 -0.25 0.00 -2.05 0.00 0.00 46.19 45.73 2kpp s LEU 102 CO -0.05 -0.26 0.36 0.40 -0.55 0.00 0.00 176.35 176.25 2kpp h ILE 103 N 6.08 0.75 -3.79 1.48 1.08 -2.06 -3.45 117.51 117.61 2kpp h ILE 103 Ca -0.20 -2.32 -0.67 0.00 -0.39 0.00 0.00 64.86 61.28 2kpp h ILE 103 Cb 1.14 2.47 -0.37 0.00 -3.07 0.00 0.00 36.82 36.99 2kpp h ILE 103 CO 0.22 0.74 -0.75 0.68 -0.69 0.00 0.00 178.15 178.35 2kpp s VAL 104 N -2.51 2.44 -0.15 1.67 -7.23 -1.26 -5.09 120.40 108.27 2kpp s VAL 104 Ca -0.23 -1.76 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 2kpp s VAL 104 Cb 0.06 -2.53 -0.05 0.00 0.56 0.00 0.00 36.38 34.43 2kpp s VAL 104 CO 0.73 -0.21 1.81 -2.16 -0.31 0.00 0.00 175.10 174.96 2kpp s PRO 105 N 1.09 3.78 0.21 4.82 0.04 -1.26 -4.99 135.00 138.69 2kpp s PRO 105 Ca -0.03 1.98 0.08 0.00 0.04 0.00 0.00 61.00 63.08 2kpp s PRO 105 Cb -0.20 -4.12 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 2kpp s PRO 105 CO -0.05 -1.33 -0.15 1.21 0.04 0.00 0.00 177.00 176.72 2kpp s ASN 106 N 4.96 2.64 0.79 6.66 3.04 -1.26 -5.14 114.94 126.63 2kpp s ASN 106 Ca 0.81 -1.02 -0.10 0.00 0.04 0.00 0.00 52.86 52.59 2kpp s ASN 106 Cb -0.31 -0.15 0.07 0.00 -1.54 0.00 0.00 41.25 39.32 2kpp s ASN 106 CO 0.33 -0.15 1.10 -0.76 -3.04 0.00 0.00 177.10 174.58 2kpp s LEU 107 N -3.31 3.01 0.13 3.21 1.43 -1.26 -4.95 118.68 116.94 2kpp s LEU 107 Ca 0.23 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.89 2kpp s LEU 107 Cb -0.01 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.58 2kpp s LEU 107 CO 0.07 -2.18 1.66 -0.70 0.23 0.00 0.00 176.35 175.44 2kpp s GLU 108 N -4.86 4.19 0.00 1.70 -6.30 -1.26 -4.86 118.70 107.30 2kpp s GLU 108 Ca 0.62 2.42 0.00 0.00 -2.50 0.00 0.00 54.97 55.51 2kpp s GLU 108 Cb -0.18 -3.38 0.00 0.00 0.00 0.00 0.00 34.13 30.57 2kpp s GLU 108 CO 0.56 -0.71 0.83 0.72 0.02 0.00 0.00 175.26 176.69 2kpp n HIS 109 N 4.86 0.00 0.19 5.30 8.25 -1.26 -3.99 115.22 128.58 2kpp n HIS 109 Ca 0.15 -0.36 0.14 0.00 -0.26 0.00 0.00 57.72 57.39 2kpp n HIS 109 Cb 0.39 -0.21 0.72 0.00 1.12 0.00 0.00 29.99 32.01 2kpp n HIS 109 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kpp h HIS 110 N 0.08 0.00 -3.45 4.41 2.07 -2.04 -3.39 115.15 112.83 2kpp h HIS 110 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 2kpp h HIS 110 Cb 0.83 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.71 2kpp h HIS 110 CO 0.00 0.00 0.14 -1.58 -3.07 0.00 0.00 177.93 173.42 2kpp s HIS 111 N -4.92 3.33 0.07 6.12 5.65 -1.26 -5.07 115.29 119.21 2kpp s HIS 111 Ca -0.05 0.87 0.07 0.00 0.25 0.00 0.00 55.06 56.21 2kpp s HIS 111 Cb 0.17 -2.81 -0.03 0.00 -1.18 0.00 0.00 32.58 28.73 2kpp s HIS 111 CO 0.65 -0.24 -0.20 -1.01 -0.65 0.00 0.00 174.74 173.28 2kpp s HIS 112 N 2.18 1.76 -0.18 3.88 3.76 -1.26 -5.03 115.29 120.40 2kpp s HIS 112 Ca 0.27 -0.39 0.17 0.00 -0.15 0.00 0.00 55.06 54.96 2kpp s HIS 112 Cb -0.16 -1.01 0.52 0.00 1.11 0.00 0.00 32.58 33.05 2kpp s HIS 112 CO 0.09 0.14 1.42 1.58 -0.85 0.00 0.00 174.74 177.12 2kpp n HIS 113 N 1.52 0.92 1.40 1.40 -0.00 -1.26 -5.28 115.22 113.92 2kpp n HIS 113 Ca -0.18 -0.88 0.14 0.00 0.46 0.00 0.00 57.72 57.25 2kpp n HIS 113 Cb 0.53 -0.31 0.44 0.00 -0.12 0.00 0.00 29.99 30.54 2kpp n HIS 113 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38