#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 0.00 -6.23 0.03 1.57 -2.08 -3.46 116.57 106.41 2kpp h LYS 2 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 2kpp h LYS 2 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2kpp h LYS 2 CO 0.00 0.78 1.02 1.21 -0.57 0.00 0.00 179.45 181.90 2kpp s ASN 3 N -6.50 6.72 -1.01 0.86 3.84 -1.26 -4.96 114.94 112.63 2kpp s ASN 3 Ca -0.23 1.91 -0.16 0.00 0.21 0.00 0.00 52.86 54.59 2kpp s ASN 3 Cb 0.03 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.37 2kpp s ASN 3 CO 0.52 -0.93 1.16 -0.89 -2.79 0.00 0.00 177.10 174.17 2kpp s THR 4 N 4.05 5.05 0.00 -5.21 2.01 -1.26 -4.93 115.64 115.35 2kpp s THR 4 Ca 0.66 -2.17 0.00 0.00 0.31 0.00 0.00 61.69 60.49 2kpp s THR 4 Cb -0.27 -4.76 0.00 0.00 0.01 0.00 0.00 72.50 67.48 2kpp s THR 4 CO 0.24 -1.44 0.01 0.61 -0.69 0.00 0.00 174.62 173.34 2kpp n GLY 5 N 4.64 1.63 2.75 4.40 0.00 -1.26 -4.90 105.19 112.46 2kpp n GLY 5 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 2kpp n GLY 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kpp s ASP 6 N -1.05 3.88 -0.32 1.61 1.11 -1.26 -5.10 116.67 115.54 2kpp s ASP 6 Ca 0.00 -2.33 -0.25 0.00 0.18 0.00 0.00 52.55 50.15 2kpp s ASP 6 Cb 0.00 -1.06 0.01 0.00 1.07 0.00 0.00 42.92 42.93 2kpp s ASP 6 CO 0.00 -0.32 0.88 -1.61 1.18 0.00 0.00 175.17 175.30 2kpp s GLU 7 N 0.72 3.96 0.03 8.23 2.02 -1.26 -4.76 118.70 127.65 2kpp s GLU 7 Ca 0.15 0.70 0.08 0.00 0.02 0.00 0.00 54.97 55.91 2kpp s GLU 7 Cb -0.22 -3.74 -0.02 0.00 0.10 0.00 0.00 34.13 30.24 2kpp s GLU 7 CO -0.07 -0.78 -0.22 0.14 0.02 0.00 0.00 175.26 174.35 2kpp s VAL 8 N 3.20 1.77 0.01 2.63 -7.23 -1.26 -1.16 120.40 118.36 2kpp s VAL 8 Ca 0.36 -1.19 0.06 0.00 -1.81 0.00 0.00 61.98 59.41 2kpp s VAL 8 Cb -0.13 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.27 2kpp s VAL 8 CO 0.14 0.29 -0.20 0.68 -0.31 0.00 0.00 175.10 175.70 2kpp s VAL 9 N -0.75 1.56 -0.27 1.32 -7.23 -0.06 -1.83 120.40 113.14 2kpp s VAL 9 Ca 0.08 -0.96 -0.14 0.00 -1.81 0.00 0.00 61.98 59.16 2kpp s VAL 9 Cb -0.09 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.49 2kpp s VAL 9 CO 0.01 0.34 0.33 0.00 -0.31 0.00 0.00 175.10 175.47 2kpp s ALA 10 N -0.59 3.56 -0.40 1.32 0.00 0.01 -1.77 121.76 123.89 2kpp s ALA 10 Ca 0.07 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2kpp s ALA 10 Cb -0.08 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.41 2kpp s ALA 10 CO 0.00 -0.60 0.30 0.42 0.00 0.00 0.00 175.76 175.88 2kpp s ILE 11 N 1.92 5.26 -0.28 0.00 -1.09 0.30 -1.52 121.20 125.79 2kpp s ILE 11 Ca 0.13 -0.58 -0.15 0.00 -2.23 0.00 0.00 60.65 57.82 2kpp s ILE 11 Cb -0.16 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2kpp s ILE 11 CO 0.10 -0.27 0.38 -0.63 -1.23 0.00 0.00 174.94 173.30 2kpp s ILE 12 N 1.70 5.16 -0.03 2.92 1.09 0.11 -1.91 121.20 130.24 2kpp s ILE 12 Ca 0.05 0.53 0.07 0.00 -1.10 0.00 0.00 60.65 60.20 2kpp s ILE 12 Cb -0.19 -3.73 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 2kpp s ILE 12 CO 0.10 0.12 -0.24 -0.55 -0.10 0.00 0.00 174.94 174.27 2kpp s SER 13 N 1.65 2.86 -0.20 3.58 0.15 0.39 -1.05 113.70 121.08 2kpp s SER 13 Ca 0.15 -0.45 0.01 0.00 0.70 0.00 0.00 55.95 56.37 2kpp s SER 13 Cb -0.16 -0.41 0.03 0.00 -1.71 0.00 0.00 66.02 63.78 2kpp s SER 13 CO 0.10 0.29 -0.16 -1.58 1.20 0.00 0.00 173.24 173.09 2kpp s GLN 14 N -0.49 2.59 0.00 5.44 0.74 0.34 -1.14 119.66 127.14 2kpp s GLN 14 Ca 0.07 -0.91 0.00 0.00 0.05 0.00 0.00 55.36 54.57 2kpp s GLN 14 Cb -0.10 -2.56 0.00 0.00 1.10 0.00 0.00 33.01 31.45 2kpp s GLN 14 CO -0.00 -0.33 0.00 0.09 -0.55 0.00 0.00 175.29 174.50 2kpp n ASN 15 N 4.61 -1.49 0.00 6.67 3.02 0.37 -1.73 115.26 126.70 2kpp n ASN 15 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2kpp n ASN 15 Cb 0.48 -2.53 0.00 0.00 -0.61 0.00 0.00 39.78 37.12 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 -1.31 1.07 3.46 7.41 0.00 -1.26 -5.10 105.19 109.46 2kpp n GLY 16 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.63 -0.30 1.61 -2.85 -0.70 -5.07 119.74 116.05 2kpp s LYS 17 Ca 0.00 -0.52 -0.29 0.00 -1.00 0.00 0.00 55.97 54.16 2kpp s LYS 17 Cb 0.00 -3.01 -0.01 0.00 -2.06 0.00 0.00 37.83 32.74 2kpp s LYS 17 CO 0.00 0.09 1.62 0.08 0.10 0.00 0.00 175.35 177.24 2kpp s VAL 18 N 0.77 3.68 -0.08 1.79 1.01 -1.26 -0.51 120.40 125.81 2kpp s VAL 18 Ca -0.00 0.73 0.18 0.00 0.00 0.00 0.00 61.98 62.89 2kpp s VAL 18 Cb -0.14 -3.81 -0.27 0.00 0.00 0.00 0.00 36.38 32.15 2kpp s VAL 18 CO 0.02 -0.45 0.30 2.30 0.00 0.00 0.00 175.10 177.27 2kpp n ILE 19 N 6.92 0.42 -3.71 2.22 -5.35 -0.22 -4.97 119.36 114.67 2kpp n ILE 19 Ca 0.20 -0.55 -0.12 0.00 -0.27 0.00 0.00 62.75 62.01 2kpp n ILE 19 Cb 0.46 -0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 38.13 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 -3.02 0.49 -0.16 6.28 6.06 -1.13 -5.05 118.95 122.42 2kpp s ARG 20 Ca -0.08 0.70 -0.01 0.00 -2.50 0.00 0.00 55.73 53.85 2kpp s ARG 20 Cb 0.10 0.16 0.04 0.00 0.06 0.00 0.00 34.95 35.32 2kpp s ARG 20 CO 0.77 -0.10 -0.03 -1.21 -2.50 0.00 0.00 175.30 172.24 2kpp s GLU 21 N 0.66 1.21 -0.17 5.12 2.02 -1.26 0.06 118.70 126.35 2kpp s GLU 21 Ca -0.03 -0.43 -0.01 0.00 0.02 0.00 0.00 54.97 54.52 2kpp s GLU 21 Cb -0.05 -1.90 -0.00 0.00 0.10 0.00 0.00 34.13 32.28 2kpp s GLU 21 CO -0.04 -0.45 -0.13 0.42 0.02 0.00 0.00 175.26 175.08 2kpp s ILE 22 N 1.71 2.82 -0.32 -1.63 1.01 -0.58 -4.97 121.20 119.23 2kpp s ILE 22 Ca 0.01 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.66 2kpp s ILE 22 Cb -0.15 -2.21 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 2kpp s ILE 22 CO -0.07 0.50 1.50 -2.16 0.00 0.00 0.00 174.94 174.71 2kpp s PRO 23 N 0.93 3.67 -0.09 2.79 0.04 -1.26 -0.81 135.00 140.27 2kpp s PRO 23 Ca -0.03 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 2kpp s PRO 23 Cb -0.15 -4.02 -0.09 0.00 0.04 0.00 0.00 34.50 30.28 2kpp s PRO 23 CO -0.01 -1.45 0.42 -0.07 0.04 0.00 0.00 177.00 175.93 2kpp h LEU 24 N 12.02 -0.11 -9.41 -3.56 3.38 -1.71 -3.36 115.31 112.56 2kpp h LEU 24 Ca -0.30 -0.25 -0.53 0.00 0.09 0.00 0.00 57.88 56.89 2kpp h LEU 24 Cb 1.13 0.03 0.02 0.00 0.09 0.00 0.00 40.66 41.93 2kpp h LEU 24 CO 1.04 0.47 1.12 -0.89 0.09 0.00 0.00 178.44 180.27 2kpp s THR 25 N -2.34 2.96 0.00 0.22 2.01 -1.13 -1.08 115.64 116.29 2kpp s THR 25 Ca -0.07 0.25 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2kpp s THR 25 Cb -0.00 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.35 2kpp s THR 25 CO 0.26 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.79 2kpp n GLY 26 N 4.25 1.55 3.71 4.40 0.00 -1.26 -4.85 105.19 113.00 2kpp n GLY 26 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2kpp n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2kpp s HIS 27 N -2.36 3.09 -0.05 1.61 5.04 -0.24 -5.01 115.29 117.37 2kpp s HIS 27 Ca 0.00 0.81 0.06 0.00 -1.54 0.00 0.00 55.06 54.39 2kpp s HIS 27 Cb 0.00 -3.76 -0.01 0.00 0.04 0.00 0.00 32.58 28.85 2kpp s HIS 27 CO 0.00 -2.76 -0.25 0.15 -2.34 0.00 0.00 174.74 169.54 2kpp s LYS 28 N 1.39 2.47 0.26 2.88 -0.14 -1.26 -3.64 119.74 121.69 2kpp s LYS 28 Ca 0.67 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 2kpp s LYS 28 Cb -0.38 -2.14 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 2kpp s LYS 28 CO 0.30 0.42 0.00 0.41 -0.76 0.00 0.00 175.35 175.72 2kpp n GLY 29 N 2.85 -2.23 3.27 -3.33 0.00 -1.26 -4.89 105.19 99.59 2kpp n GLY 29 Ca -0.17 -1.87 -0.33 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.27 3.57 -0.18 1.61 3.84 -1.26 -0.31 114.94 118.95 2kpp s ASN 30 Ca 0.00 -0.47 0.01 0.00 0.21 0.00 0.00 52.86 52.61 2kpp s ASN 30 Cb 0.00 -1.53 0.03 0.00 -0.55 0.00 0.00 41.25 39.20 2kpp s ASN 30 CO 0.00 0.12 -0.12 -0.70 -2.79 0.00 0.00 177.10 173.61 2kpp s GLU 31 N 0.61 2.12 -0.08 0.43 2.12 0.54 -4.97 118.70 119.47 2kpp s GLU 31 Ca -0.10 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.56 2kpp s GLU 31 Cb -0.16 -2.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.95 2kpp s GLU 31 CO 0.03 -0.34 -0.16 -0.65 -0.54 0.00 0.00 175.26 173.60 2kpp s GLN 32 N 1.45 2.87 -0.07 4.30 -0.21 -1.26 -0.24 119.66 126.50 2kpp s GLN 32 Ca 0.02 -0.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.60 2kpp s GLN 32 Cb -0.15 -2.44 0.02 0.00 1.00 0.00 0.00 33.01 31.45 2kpp s GLN 32 CO -0.09 0.41 0.19 -0.59 -2.12 0.00 0.00 175.29 173.08 2kpp s PHE 33 N -0.18 -0.20 -0.39 0.91 -0.71 -0.32 -5.01 117.98 112.08 2kpp s PHE 33 Ca -0.01 0.49 -0.11 0.00 -1.04 0.00 0.00 56.93 56.26 2kpp s PHE 33 Cb -0.13 0.07 0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2kpp s PHE 33 CO 0.03 -0.10 0.23 0.99 -1.34 0.00 0.00 175.22 175.03 2kpp s THR 34 N 0.06 4.62 -0.81 -4.49 2.01 -1.26 -0.78 115.64 114.99 2kpp s THR 34 Ca -0.00 -0.92 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 2kpp s THR 34 Cb -0.01 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.92 2kpp s THR 34 CO 0.00 -0.29 1.31 -0.63 -0.69 0.00 0.00 174.62 174.32 2kpp s ILE 35 N 1.55 3.81 -0.61 1.82 1.01 0.11 -4.85 121.20 124.04 2kpp s ILE 35 Ca 0.02 0.06 -0.26 0.00 0.00 0.00 0.00 60.65 60.47 2kpp s ILE 35 Cb -0.20 -4.94 0.04 0.00 0.01 0.00 0.00 42.46 37.37 2kpp s ILE 35 CO 0.07 -1.86 1.11 -0.54 0.00 0.00 0.00 174.94 173.72 2kpp s LYS 36 N 5.43 3.34 0.00 2.79 1.02 -1.26 -0.09 119.74 130.98 2kpp s LYS 36 Ca 0.37 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.23 2kpp s LYS 36 Cb -0.06 -4.09 0.00 0.00 -0.52 0.00 0.00 37.83 33.16 2kpp s LYS 36 CO 0.08 -1.74 0.00 0.41 -0.92 0.00 0.00 175.35 173.18 2kpp n GLY 37 N 5.18 0.65 3.59 -3.33 0.00 0.21 -4.93 105.19 106.56 2kpp n GLY 37 Ca 0.04 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 2kpp n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kpp s LYS 38 N 0.00 3.52 6.39 1.61 1.02 -1.26 -4.71 119.74 126.31 2kpp s LYS 38 Ca 0.00 0.73 0.00 0.00 0.02 0.00 0.00 55.97 56.72 2kpp s LYS 38 Cb 0.00 -4.03 0.00 0.00 -0.52 0.00 0.00 37.83 33.28 2kpp s LYS 38 CO 0.00 -1.64 0.00 0.41 -0.92 0.00 0.00 175.35 173.20 2kpp n GLY 39 N 5.09 0.84 0.11 -3.33 0.00 -1.26 -3.34 105.19 103.30 2kpp n GLY 39 Ca 0.14 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.65 2kpp n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kpp n ALA 40 N 10.19 2.59 -2.09 4.61 0.00 -1.26 -4.64 120.51 129.92 2kpp n ALA 40 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 53.44 52.82 2kpp n ALA 40 Cb 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.20 2kpp n ALA 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kpp n GLN 41 N -0.56 3.03 -3.07 0.00 1.13 -1.21 -4.74 117.38 111.96 2kpp n GLN 41 Ca 0.14 -2.92 -0.29 0.00 -1.94 0.00 0.00 57.00 51.99 2kpp n GLN 41 Cb 0.12 -3.33 -0.03 0.00 0.11 0.00 0.00 30.24 27.11 2kpp n GLN 41 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2kpp s TYR 42 N 3.31 3.49 -0.20 1.08 1.13 -1.26 -0.62 117.35 124.27 2kpp s TYR 42 Ca 0.49 0.79 -0.02 0.00 -1.41 0.00 0.00 57.07 56.92 2kpp s TYR 42 Cb 0.10 -2.24 0.06 0.00 -1.10 0.00 0.00 41.96 38.78 2kpp s TYR 42 CO -0.03 0.00 0.01 -0.80 -2.51 0.00 0.00 175.55 172.23 2kpp s ASN 43 N -3.37 3.15 -0.63 -0.18 -0.87 0.87 -2.95 114.94 110.96 2kpp s ASN 43 Ca 0.47 -0.91 -0.26 0.00 -1.57 0.00 0.00 52.86 50.59 2kpp s ASN 43 Cb -0.10 -0.75 0.04 0.00 -0.02 0.00 0.00 41.25 40.41 2kpp s ASN 43 CO 0.33 -0.28 1.10 -0.22 -2.57 0.00 0.00 177.10 175.46 2kpp s LEU 44 N 1.73 3.74 -0.03 0.60 2.96 0.87 0.08 118.68 128.63 2kpp s LEU 44 Ca -0.02 -0.38 -0.13 0.00 -0.22 0.00 0.00 54.13 53.37 2kpp s LEU 44 Cb -0.17 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.70 2kpp s LEU 44 CO -0.07 -1.50 0.35 -0.04 -1.32 0.00 0.00 176.35 173.77 2kpp s MET 45 N 4.71 3.82 -0.08 1.98 -1.94 0.04 -0.47 119.30 127.36 2kpp s MET 45 Ca 0.33 0.29 -0.02 0.00 -1.71 0.00 0.00 55.69 54.58 2kpp s MET 45 Cb -0.11 -3.22 0.03 0.00 2.01 0.00 0.00 34.83 33.54 2kpp s MET 45 CO 0.18 0.70 0.02 -2.00 -0.01 0.00 0.00 175.02 173.91 2kpp s GLU 46 N -1.02 0.42 -0.37 2.03 2.12 0.26 -1.17 118.70 120.97 2kpp s GLU 46 Ca 0.22 0.13 -0.13 0.00 0.36 0.00 0.00 54.97 55.55 2kpp s GLU 46 Cb -0.16 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.27 2kpp s GLU 46 CO 0.11 -0.35 0.25 0.08 -0.54 0.00 0.00 175.26 174.82 2kpp s VAL 47 N 2.02 5.15 -0.45 3.70 1.01 0.67 -0.69 120.40 131.80 2kpp s VAL 47 Ca 0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 2kpp s VAL 47 Cb -0.13 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.62 2kpp s VAL 47 CO -0.05 -0.14 0.31 -0.62 0.00 0.00 0.00 175.10 174.60 2kpp s ASP 48 N 1.68 5.61 1.46 3.32 2.15 0.76 -0.34 116.67 131.31 2kpp s ASP 48 Ca 0.05 -1.91 0.00 0.00 0.43 0.00 0.00 52.55 51.12 2kpp s ASP 48 Cb -0.18 -1.97 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 2kpp s ASP 48 CO 0.10 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 175.05 2kpp n GLY 49 N 4.85 1.60 1.39 2.66 0.00 0.57 -3.03 105.19 113.22 2kpp n GLY 49 Ca -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.68 2.29 -3.80 1.61 1.02 -1.24 -4.18 120.64 117.02 2kpp n GLU 50 Ca 0.00 -3.46 -0.12 0.00 -0.02 0.00 0.00 57.16 53.56 2kpp n GLU 50 Cb 0.00 -1.94 -0.09 0.00 -0.02 0.00 0.00 31.44 29.39 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 -3.39 0.58 0.09 3.49 1.70 -1.17 -4.53 118.95 115.72 2kpp s ARG 51 Ca 0.47 -0.24 0.09 0.00 -0.47 0.00 0.00 55.73 55.57 2kpp s ARG 51 Cb 0.41 0.25 -0.03 0.00 -0.57 0.00 0.00 34.95 35.01 2kpp s ARG 51 CO -0.01 -0.15 -0.23 -1.50 -1.08 0.00 0.00 175.30 172.34 2kpp s ILE 52 N -1.27 1.88 0.23 4.99 2.07 -0.23 -0.17 121.20 128.69 2kpp s ILE 52 Ca -0.13 -1.51 -0.13 0.00 -1.41 0.00 0.00 60.65 57.47 2kpp s ILE 52 Cb -0.06 -1.67 -0.00 0.00 0.13 0.00 0.00 42.46 40.86 2kpp s ILE 52 CO 0.03 0.07 0.45 0.00 -1.91 0.00 0.00 174.94 173.58 2kpp s ARG 53 N -1.74 1.47 -0.28 3.50 1.70 0.14 -0.45 118.95 123.29 2kpp s ARG 53 Ca 0.09 -1.21 -0.09 0.00 -0.47 0.00 0.00 55.73 54.06 2kpp s ARG 53 Cb -0.10 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 2kpp s ARG 53 CO 0.04 -0.60 0.12 0.42 -1.08 0.00 0.00 175.30 174.20 2kpp s ILE 54 N -4.00 4.55 0.02 4.99 1.01 -1.26 -0.58 121.20 125.94 2kpp s ILE 54 Ca 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 2kpp s ILE 54 Cb 0.00 -3.21 -0.27 0.00 0.01 0.00 0.00 42.46 38.99 2kpp s ILE 54 CO 0.07 0.22 0.93 0.50 0.00 0.00 0.00 174.94 176.66 2kpp h LYS 55 N 8.30 0.23 -1.91 2.79 3.64 -1.12 -3.36 116.57 125.14 2kpp h LYS 55 Ca -0.36 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 58.62 2kpp h LYS 55 Cb 1.17 0.15 -0.22 0.00 -0.41 0.00 0.00 32.23 32.91 2kpp h LYS 55 CO 0.59 1.10 0.19 -2.00 -2.27 0.00 0.00 179.45 177.06 2kpp s GLU 56 N -2.63 0.75 0.32 1.90 2.12 -1.22 -4.92 118.70 115.02 2kpp s GLU 56 Ca -0.07 0.94 0.06 0.00 0.36 0.00 0.00 54.97 56.26 2kpp s GLU 56 Cb 0.07 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.77 2kpp s GLU 56 CO 0.86 -0.10 0.29 0.16 -0.54 0.00 0.00 175.26 175.93 2kpp s ASP 57 N 0.53 1.49 -0.35 -1.70 1.47 -1.26 -0.09 116.67 116.75 2kpp s ASP 57 Ca -0.01 -1.70 0.07 0.00 1.18 0.00 0.00 52.55 52.08 2kpp s ASP 57 Cb -0.05 0.56 0.49 0.00 -0.34 0.00 0.00 42.92 43.58 2kpp s ASP 57 CO -0.03 -1.07 1.49 -3.20 0.68 0.00 0.00 175.17 173.03 2kpp n ASN 58 N -1.44 3.82 -4.85 2.11 2.85 -1.15 -4.98 115.26 111.61 2kpp n ASN 58 Ca 0.06 -3.79 -0.34 0.00 -0.11 0.00 0.00 54.58 50.41 2kpp n ASN 58 Cb 0.62 -0.62 -0.06 0.00 1.24 0.00 0.00 39.78 40.97 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2kpp s SER 59 N -2.69 6.79 0.39 1.20 0.01 -1.26 -4.91 113.70 113.24 2kpp s SER 59 Ca 0.49 1.08 0.09 0.00 1.31 0.00 0.00 55.95 58.93 2kpp s SER 59 Cb 0.42 -2.29 0.81 0.00 0.21 0.00 0.00 66.02 65.17 2kpp s SER 59 CO 0.01 0.03 1.95 1.55 0.41 0.00 0.00 173.24 177.19 2kpp h PRO 60 N 3.21 0.31 -0.00 12.44 0.13 -2.00 -2.35 132.00 143.74 2kpp h PRO 60 Ca -0.48 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kpp h PRO 60 Cb 1.19 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kpp h PRO 60 CO 0.66 0.37 -0.75 -0.25 -0.23 0.00 0.00 178.00 177.80 2kpp n ASP 61 N -4.33 0.95 -3.52 1.44 8.00 -1.26 -4.98 116.55 112.85 2kpp n ASP 61 Ca 0.00 -0.82 -0.25 0.00 0.71 0.00 0.00 54.79 54.43 2kpp n ASP 61 Cb 0.22 0.67 0.05 0.00 -0.02 0.00 0.00 41.12 42.04 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kpp n GLN 62 N -1.30 -6.31 -0.27 -1.24 1.13 -0.88 -4.88 117.38 103.62 2kpp n GLN 62 Ca 0.05 0.77 0.15 0.00 -1.94 0.00 0.00 57.00 56.03 2kpp n GLN 62 Cb 0.35 -5.71 0.43 0.00 0.11 0.00 0.00 30.24 25.41 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 -2.12 0.75 0.33 5.09 2.07 -1.92 -1.71 116.25 118.75 2kpp h VAL 63 Ca -0.55 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2kpp h VAL 63 Cb 1.37 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2kpp h VAL 63 CO 0.59 0.11 -0.22 1.23 0.02 0.00 0.00 177.57 179.30 2kpp h GLY 64 N 0.58 -0.55 0.97 2.17 0.00 -1.90 -2.17 103.07 102.18 2kpp h GLY 64 Ca 0.48 0.24 0.05 0.00 0.00 0.00 0.00 47.33 48.10 2kpp h GLY 64 CO -0.22 -0.22 0.56 -2.08 0.00 0.00 0.00 176.54 174.59 2kpp h VAL 65 N -0.53 1.10 0.00 4.60 2.07 -1.49 -2.09 116.25 119.91 2kpp h VAL 65 Ca -0.03 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 2kpp h VAL 65 Cb 0.45 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kpp h VAL 65 CO 0.03 0.19 -0.22 0.11 0.02 0.00 0.00 177.57 177.69 2kpp h LYS 66 N 1.02 0.00 -0.47 1.57 6.56 -1.15 -2.74 116.57 121.37 2kpp h LYS 66 Ca 0.35 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.94 2kpp h LYS 66 Cb 0.11 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.75 2kpp h LYS 66 CO -0.12 0.22 0.27 0.52 -2.06 0.00 0.00 179.45 178.28 2kpp h MET 67 N 0.00 0.63 0.00 3.15 2.86 -0.73 -3.48 114.93 117.36 2kpp h MET 67 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2kpp h MET 67 Cb 0.43 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.95 2kpp h MET 67 CO 0.03 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.86 2kpp n GLY 68 N -1.35 1.08 3.73 8.32 0.00 -1.04 -4.78 105.19 111.15 2kpp n GLY 68 Ca 0.04 -0.74 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 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 3.66 -0.04 1.61 0.52 -1.26 -4.18 118.94 119.25 2kpp s TRP 69 Ca 0.00 1.44 0.04 0.00 0.02 0.00 0.00 56.10 57.60 2kpp s TRP 69 Cb 0.00 -2.88 -0.00 0.00 -1.15 0.00 0.00 33.47 29.44 2kpp s TRP 69 CO 0.00 0.15 -0.16 0.15 0.02 0.00 0.00 176.95 177.11 2kpp s LYS 70 N 0.47 1.58 0.00 4.98 -0.14 0.41 -4.98 119.74 122.06 2kpp s LYS 70 Ca 0.41 -0.56 0.00 0.00 -1.36 0.00 0.00 55.97 54.46 2kpp s LYS 70 Cb -0.20 -1.41 0.00 0.00 -1.68 0.00 0.00 37.83 34.55 2kpp s LYS 70 CO 0.22 0.24 0.22 -1.13 -0.76 0.00 0.00 175.35 174.14 2kpp n SER 71 N 3.09 0.00 -4.53 2.83 3.41 -1.26 -1.07 113.62 116.09 2kpp n SER 71 Ca -0.18 -0.58 -0.29 0.00 -0.26 0.00 0.00 58.87 57.56 2kpp n SER 71 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 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 1.95 -0.26 4.33 -0.14 -1.26 -4.93 119.74 119.43 2kpp s LYS 72 Ca 0.00 -1.14 -0.28 0.00 -1.36 0.00 0.00 55.97 53.19 2kpp s LYS 72 Cb 0.00 -2.19 -0.06 0.00 -1.68 0.00 0.00 37.83 33.90 2kpp s LYS 72 CO 0.00 0.48 2.25 0.00 -0.76 0.00 0.00 175.35 177.32 2kpp n ALA 73 N 0.66 1.64 0.00 5.17 0.00 -1.26 -1.52 120.51 125.20 2kpp n ALA 73 Ca -0.14 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2kpp n ALA 73 Cb 0.53 -2.93 0.00 0.00 0.00 0.00 0.00 19.45 17.05 2kpp n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kpp n GLY 74 N 5.86 2.00 3.74 0.00 0.00 -0.48 -4.87 105.19 111.44 2kpp n GLY 74 Ca 0.32 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.97 6.48 0.04 1.61 1.01 -0.57 -4.81 116.67 118.45 2kpp s ASP 75 Ca 0.00 2.81 0.03 0.00 0.71 0.00 0.00 52.55 56.10 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 -0.85 -0.09 0.42 0.21 0.00 0.00 175.17 174.86 2kpp s THR 76 N 0.35 0.69 -0.19 -1.27 -4.23 -1.26 -0.60 115.64 109.12 2kpp s THR 76 Ca 0.65 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 60.21 2kpp s THR 76 Cb -0.46 -0.69 -0.00 0.00 1.34 0.00 0.00 72.50 72.69 2kpp s THR 76 CO 0.42 -0.20 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.56 2kpp s ILE 77 N -1.03 2.92 -0.19 2.99 -1.09 0.13 -4.97 121.20 119.97 2kpp s ILE 77 Ca -0.05 -0.66 0.01 0.00 -2.23 0.00 0.00 60.65 57.73 2kpp s ILE 77 Cb -0.08 -2.29 0.03 0.00 -1.58 0.00 0.00 42.46 38.54 2kpp s ILE 77 CO 0.01 0.48 -0.16 -0.69 -1.23 0.00 0.00 174.94 173.34 2kpp s VAL 78 N 1.22 1.93 -0.58 2.92 1.01 -1.26 -1.23 120.40 124.41 2kpp s VAL 78 Ca 0.02 -1.02 0.01 0.00 0.00 0.00 0.00 61.98 60.99 2kpp s VAL 78 Cb -0.14 -1.84 0.15 0.00 0.00 0.00 0.00 36.38 34.54 2kpp s VAL 78 CO -0.04 0.37 0.35 0.00 0.00 0.00 0.00 175.10 175.78 2kpp h LEU 80 N 6.73 -0.84 0.00 0.00 3.38 -1.96 0.42 115.31 123.03 2kpp h LEU 80 Ca -0.04 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2kpp h LEU 80 Cb 0.92 0.30 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2kpp h LEU 80 CO 0.70 -0.42 0.00 -2.65 0.09 0.00 0.00 178.44 176.16 2kpp n PRO 81 N -5.42 0.10 -0.00 1.13 -0.02 -1.26 -1.93 135.00 127.60 2kpp n PRO 81 Ca -0.08 0.23 0.03 0.00 -2.02 0.00 0.00 63.50 61.66 2kpp n PRO 81 Cb 0.32 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.27 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 -1.37 0.00 -2.63 6.00 8.25 -0.86 -4.98 115.22 119.64 2kpp n HIS 82 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.29 2kpp n HIS 82 Cb 0.10 -0.03 0.01 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.28 -2.81 -3.83 -0.41 5.02 0.14 -4.65 118.16 110.34 2kpp n LYS 83 Ca 0.00 0.95 -0.36 0.00 -2.02 0.00 0.00 58.31 56.88 2kpp n LYS 83 Cb 0.10 -5.68 -0.08 0.00 -0.02 0.00 0.00 35.03 29.36 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 -3.06 5.33 -0.04 -0.18 1.01 -0.99 -0.48 120.40 121.99 2kpp s VAL 84 Ca 0.11 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2kpp s VAL 84 Cb -0.05 -3.39 0.02 0.00 0.00 0.00 0.00 36.38 32.97 2kpp s VAL 84 CO 0.13 0.51 -0.02 0.12 0.00 0.00 0.00 175.10 175.83 2kpp s PHE 85 N -0.12 0.56 -0.17 5.22 5.36 -0.30 -0.94 117.98 127.59 2kpp s PHE 85 Ca 0.10 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2kpp s PHE 85 Cb -0.11 -0.56 0.05 0.00 -0.34 0.00 0.00 43.02 42.05 2kpp s PHE 85 CO 0.00 -0.17 -0.02 0.08 -1.46 0.00 0.00 175.22 173.66 2kpp s VAL 86 N 1.00 0.87 -0.08 3.12 1.01 -0.36 -0.46 120.40 125.50 2kpp s VAL 86 Ca -0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2kpp s VAL 86 Cb -0.14 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 2kpp s VAL 86 CO -0.01 0.01 -0.03 -1.83 0.00 0.00 0.00 175.10 173.25 2kpp s GLU 87 N 1.72 2.89 -0.25 2.72 1.03 -0.80 0.22 118.70 126.23 2kpp s GLU 87 Ca -0.00 -0.46 -0.07 0.00 0.03 0.00 0.00 54.97 54.47 2kpp s GLU 87 Cb -0.16 -2.71 -0.02 0.00 -0.80 0.00 0.00 34.13 30.43 2kpp s GLU 87 CO -0.07 0.69 0.06 0.42 -1.33 0.00 0.00 175.26 175.03 2kpp s ILE 88 N -0.85 4.22 0.31 1.83 1.01 0.23 -0.54 121.20 127.40 2kpp s ILE 88 Ca 0.13 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.64 2kpp s ILE 88 Cb -0.11 -2.99 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 2kpp s ILE 88 CO 0.02 0.32 -0.10 -1.59 0.00 0.00 0.00 174.94 173.59 2kpp s LYS 89 N 1.60 1.89 0.27 2.79 -2.85 -0.73 -1.38 119.74 121.32 2kpp s LYS 89 Ca 0.06 -1.76 -0.13 0.00 -1.00 0.00 0.00 55.97 53.14 2kpp s LYS 89 Cb -0.15 -1.84 -0.08 0.00 -2.06 0.00 0.00 37.83 33.70 2kpp s LYS 89 CO 0.03 0.24 0.64 0.45 0.10 0.00 0.00 175.35 176.82 2kpp s SER 90 N -3.60 6.72 0.00 0.03 0.15 -1.26 -0.89 113.70 114.85 2kpp s SER 90 Ca 0.32 1.12 0.29 0.00 0.70 0.00 0.00 55.95 58.38 2kpp s SER 90 Cb -0.02 -2.31 1.31 0.00 -1.71 0.00 0.00 66.02 63.30 2kpp s SER 90 CO 0.17 -0.12 1.90 0.35 1.20 0.00 0.00 173.24 176.74 2kpp n THR 91 N -0.17 0.00 -1.00 6.45 -2.24 -0.31 -4.79 114.28 112.22 2kpp n THR 91 Ca 0.02 -0.09 -0.16 0.00 -2.27 0.00 0.00 64.05 61.55 2kpp n THR 91 Cb 0.53 -0.03 0.13 0.00 -2.10 0.00 0.00 70.33 68.85 2kpp n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kpp n GLN 92 N -0.71 -1.73 -1.39 -0.78 10.64 -1.26 -4.84 117.38 117.31 2kpp n GLN 92 Ca 0.17 -0.99 -0.38 0.00 -1.83 0.00 0.00 57.00 53.98 2kpp n GLN 92 Cb 0.26 -0.84 -0.07 0.00 -0.86 0.00 0.00 30.24 28.74 2kpp n GLN 92 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2kpp n LYS 93 N -3.07 1.35 -1.49 2.61 4.76 -1.26 -4.74 118.16 116.32 2kpp n LYS 93 Ca 0.08 -1.96 0.00 0.00 -2.87 0.00 0.00 58.31 53.57 2kpp n LYS 93 Cb 0.31 -3.16 0.00 0.00 -1.84 0.00 0.00 35.03 30.34 2kpp n LYS 93 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2kpp n ASP 94 N 10.13 -8.06 -3.52 4.39 8.00 -1.26 -5.04 116.55 121.19 2kpp n ASP 94 Ca 0.48 1.13 -0.21 0.00 0.71 0.00 0.00 54.79 56.90 2kpp n ASP 94 Cb 0.43 -4.22 -0.14 0.00 -0.02 0.00 0.00 41.12 37.17 2kpp n ASP 94 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 2kpp s SER 95 N -2.78 1.82 -0.49 -2.24 0.15 -1.26 -5.09 113.70 103.82 2kpp s SER 95 Ca 0.00 -0.45 -0.17 0.00 0.70 0.00 0.00 55.95 56.03 2kpp s SER 95 Cb 0.00 0.17 0.07 0.00 -1.71 0.00 0.00 66.02 64.55 2kpp s SER 95 CO 0.00 -0.35 0.49 -0.54 1.20 0.00 0.00 173.24 174.05 2kpp s LYS 96 N 2.26 3.04 0.49 5.44 1.02 -1.26 -4.89 119.74 125.84 2kpp s LYS 96 Ca 0.06 -1.15 -0.05 0.00 0.02 0.00 0.00 55.97 54.85 2kpp s LYS 96 Cb -0.16 -4.12 -0.03 0.00 -0.52 0.00 0.00 37.83 33.01 2kpp s LYS 96 CO -0.15 -1.11 0.78 -0.51 -0.92 0.00 0.00 175.35 173.44 2kpp s ASP 97 N 2.63 6.14 0.10 2.83 1.01 -1.26 -5.03 116.67 123.09 2kpp s ASP 97 Ca 0.09 0.83 -0.30 0.00 0.71 0.00 0.00 52.55 53.87 2kpp s ASP 97 Cb -0.22 -2.11 -0.12 0.00 1.01 0.00 0.00 42.92 41.48 2kpp s ASP 97 CO 0.09 -0.64 1.49 -0.65 0.21 0.00 0.00 175.17 175.67 2kpp h PRO 98 N 0.21 -0.55 -7.12 8.23 0.11 -1.98 -3.44 132.00 127.47 2kpp h PRO 98 Ca -0.47 0.04 -0.49 0.00 0.11 0.00 0.00 66.00 65.19 2kpp h PRO 98 Cb 1.22 0.12 0.06 0.00 0.11 0.00 0.00 31.00 32.51 2kpp h PRO 98 CO 0.61 -0.36 0.40 0.16 -0.21 0.00 0.00 178.00 178.59 2kpp s ASP 99 N -4.52 5.90 0.42 -2.05 -4.77 -1.26 -5.07 116.67 105.32 2kpp s ASP 99 Ca -0.14 1.99 0.07 0.00 -3.30 0.00 0.00 52.55 51.17 2kpp s ASP 99 Cb 0.06 -2.56 -0.04 0.00 -1.09 0.00 0.00 42.92 39.29 2kpp s ASP 99 CO 0.54 -1.09 0.24 0.28 0.70 0.00 0.00 175.17 175.83 2kpp s THR 100 N -2.06 2.32 -0.38 2.11 -1.32 -1.26 -5.04 115.64 110.01 2kpp s THR 100 Ca 0.68 -1.61 -0.02 0.00 -1.21 0.00 0.00 61.69 59.53 2kpp s THR 100 Cb -0.19 -2.93 0.15 0.00 -1.51 0.00 0.00 72.50 68.02 2kpp s THR 100 CO 0.28 0.00 2.35 0.47 -2.21 0.00 0.00 174.62 175.51 2kpp n ASP 101 N -1.34 6.51 -4.68 8.08 8.00 -1.26 -4.96 116.55 126.89 2kpp n ASP 101 Ca -0.00 -3.15 -0.42 0.00 0.71 0.00 0.00 54.79 51.93 2kpp n ASP 101 Cb 0.64 -1.13 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 2kpp n ASP 101 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2kpp s LEU 102 N -2.03 4.29 -0.04 0.64 2.34 -1.26 -5.02 118.68 117.61 2kpp s LEU 102 Ca 0.44 2.01 -0.00 0.00 0.06 0.00 0.00 54.13 56.64 2kpp s LEU 102 Cb 0.31 -3.55 0.03 0.00 -0.56 0.00 0.00 46.19 42.42 2kpp s LEU 102 CO -0.09 -0.72 0.01 -0.63 -1.06 0.00 0.00 176.35 173.85 2kpp s ILE 103 N 2.68 0.16 -0.14 1.48 1.01 -1.26 -5.15 121.20 119.98 2kpp s ILE 103 Ca 0.62 0.14 -0.05 0.00 0.00 0.00 0.00 60.65 61.36 2kpp s ILE 103 Cb -0.29 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.86 2kpp s ILE 103 CO 0.24 0.16 0.03 0.54 0.00 0.00 0.00 174.94 175.92 2kpp s VAL 104 N 1.30 4.53 0.61 2.92 0.11 -1.26 -5.10 120.40 123.51 2kpp s VAL 104 Ca -0.06 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.66 2kpp s VAL 104 Cb -0.13 -2.98 -0.04 0.00 -1.53 0.00 0.00 36.38 31.70 2kpp s VAL 104 CO -0.02 0.53 1.09 -2.65 -3.33 0.00 0.00 175.10 170.72 2kpp n PRO 105 N 2.89 1.01 -4.20 1.54 -0.02 -1.26 -5.05 135.00 129.92 2kpp n PRO 105 Ca -0.18 0.39 -0.17 0.00 -2.02 0.00 0.00 63.50 61.52 2kpp n PRO 105 Cb 0.53 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.64 2kpp n PRO 105 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kpp s ASN 106 N -1.26 1.30 1.02 2.55 4.22 -1.26 -5.17 114.94 116.33 2kpp s ASN 106 Ca 0.78 -1.63 -0.13 0.00 -2.14 0.00 0.00 52.86 49.74 2kpp s ASN 106 Cb -0.41 0.60 0.20 0.00 1.28 0.00 0.00 41.25 42.92 2kpp s ASN 106 CO 0.45 -1.16 1.09 -0.76 -2.04 0.00 0.00 177.10 174.69 2kpp s LEU 107 N -3.31 1.48 0.15 3.54 1.43 -1.26 -5.09 118.68 115.62 2kpp s LEU 107 Ca 0.36 1.15 0.05 0.00 -1.03 0.00 0.00 54.13 54.66 2kpp s LEU 107 Cb 0.01 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.90 2kpp s LEU 107 CO 0.24 -3.25 -0.11 -1.83 0.23 0.00 0.00 176.35 171.63 2kpp s GLU 108 N -4.97 1.08 -0.41 1.70 1.03 -1.26 -5.13 118.70 110.75 2kpp s GLU 108 Ca 0.66 -1.44 -0.14 0.00 0.03 0.00 0.00 54.97 54.08 2kpp s GLU 108 Cb -0.19 -0.71 0.02 0.00 -0.80 0.00 0.00 34.13 32.46 2kpp s GLU 108 CO 0.58 0.10 0.29 -1.01 -1.33 0.00 0.00 175.26 173.88 2kpp s HIS 109 N -3.14 3.24 -0.12 4.83 3.76 -1.26 -5.07 115.29 117.53 2kpp s HIS 109 Ca 0.16 -0.64 -0.01 0.00 -0.15 0.00 0.00 55.06 54.43 2kpp s HIS 109 Cb 0.01 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 31.10 2kpp s HIS 109 CO 0.02 -0.60 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.63 2kpp s HIS 110 N 1.66 2.87 0.00 1.40 5.04 -1.26 -4.56 115.29 120.45 2kpp s HIS 110 Ca 0.05 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.17 2kpp s HIS 110 Cb -0.19 -1.83 0.00 0.00 0.04 0.00 0.00 32.58 30.60 2kpp s HIS 110 CO 0.10 -0.03 0.00 0.72 -2.34 0.00 0.00 174.74 173.18 2kpp n HIS 111 N 3.19 0.00 -1.53 3.88 8.25 -1.26 -4.91 115.22 122.84 2kpp n HIS 111 Ca -0.18 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 56.91 2kpp n HIS 111 Cb 0.53 -0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.56 2kpp n HIS 111 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2kpp n HIS 112 N -0.00 1.10 -1.85 4.41 -0.00 -1.26 -4.89 115.22 112.72 2kpp n HIS 112 Ca 0.00 0.21 -0.33 0.00 -0.00 0.00 0.00 57.72 57.60 2kpp n HIS 112 Cb 0.00 -2.52 0.04 0.00 -0.00 0.00 0.00 29.99 27.51 2kpp n HIS 112 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kpp s HIS 113 N 11.03 2.74 -2.08 1.57 -3.43 -1.26 -5.00 115.29 118.86 2kpp s HIS 113 Ca 1.12 1.54 0.31 0.00 -0.80 0.00 0.00 55.06 57.23 2kpp s HIS 113 Cb -0.56 -3.11 1.76 0.00 -1.43 0.00 0.00 32.58 29.24 2kpp s HIS 113 CO 0.34 -1.50 2.15 0.72 -2.00 0.00 0.00 174.74 174.45