#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp n LYS 2 N 0.00 -1.49 -4.08 2.12 5.02 -1.26 -5.01 118.16 113.46 2kpp n LYS 2 Ca 0.00 1.42 -0.35 0.00 -2.02 0.00 0.00 58.31 57.36 2kpp n LYS 2 Cb 0.00 -4.98 -0.14 0.00 -0.02 0.00 0.00 35.03 29.89 2kpp n LYS 2 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2kpp s ASN 3 N -2.92 4.35 -0.10 4.39 -0.87 -1.26 -5.11 114.94 113.43 2kpp s ASN 3 Ca 0.04 -0.34 -0.03 0.00 -1.57 0.00 0.00 52.86 50.96 2kpp s ASN 3 Cb -0.01 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.45 2kpp s ASN 3 CO 0.78 0.03 0.02 -0.89 -2.57 0.00 0.00 177.10 174.47 2kpp s THR 4 N 1.18 4.45 -0.05 1.60 2.01 -1.26 -5.05 115.64 118.52 2kpp s THR 4 Ca 0.02 -0.19 -0.00 0.00 0.31 0.00 0.00 61.69 61.83 2kpp s THR 4 Cb -0.14 -2.89 -0.00 0.00 0.01 0.00 0.00 72.50 69.48 2kpp s THR 4 CO -0.01 0.59 -0.00 1.23 -0.69 0.00 0.00 174.62 175.74 2kpp h GLY 5 N 5.29 0.00 -3.79 4.40 0.00 -2.04 -3.48 103.07 103.45 2kpp h GLY 5 Ca -0.50 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.24 2kpp h GLY 5 CO 0.56 0.00 -0.83 0.51 0.00 0.00 0.00 176.54 176.78 2kpp s ASP 6 N -4.33 2.88 -0.13 0.19 1.47 -1.26 -5.15 116.67 110.34 2kpp s ASP 6 Ca -0.00 -0.76 0.02 0.00 1.18 0.00 0.00 52.55 52.98 2kpp s ASP 6 Cb 0.00 -0.18 0.01 0.00 -0.34 0.00 0.00 42.92 42.42 2kpp s ASP 6 CO 0.01 0.08 -0.18 -1.61 0.68 0.00 0.00 175.17 174.14 2kpp s GLU 7 N -2.24 2.60 0.16 2.11 2.02 -1.26 -4.95 118.70 117.15 2kpp s GLU 7 Ca 0.12 -0.70 0.09 0.00 0.02 0.00 0.00 54.97 54.51 2kpp s GLU 7 Cb -0.09 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.92 2kpp s GLU 7 CO 0.06 -0.07 -0.15 0.14 0.02 0.00 0.00 175.26 175.25 2kpp s VAL 8 N 1.00 2.93 0.08 2.63 -7.23 -1.26 -1.50 120.40 117.04 2kpp s VAL 8 Ca -0.05 -1.66 0.07 0.00 -1.81 0.00 0.00 61.98 58.54 2kpp s VAL 8 Cb -0.15 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.36 2kpp s VAL 8 CO -0.04 -0.03 -0.18 0.68 -0.31 0.00 0.00 175.10 175.22 2kpp s VAL 9 N -1.49 1.48 -0.32 1.32 -7.23 0.21 -1.99 120.40 112.38 2kpp s VAL 9 Ca 0.22 -1.35 -0.11 0.00 -1.81 0.00 0.00 61.98 58.93 2kpp s VAL 9 Cb -0.09 -1.35 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 2kpp s VAL 9 CO 0.12 -0.04 0.19 0.00 -0.31 0.00 0.00 175.10 175.06 2kpp s ALA 10 N -1.08 3.36 -0.32 1.32 0.00 0.30 -1.05 121.76 124.29 2kpp s ALA 10 Ca 0.04 -1.39 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 2kpp s ALA 10 Cb -0.09 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.51 2kpp s ALA 10 CO 0.03 -0.93 0.22 0.42 0.00 0.00 0.00 175.76 175.50 2kpp s ILE 11 N 1.65 5.23 -0.20 0.00 -1.09 0.17 -1.58 121.20 125.39 2kpp s ILE 11 Ca 0.05 -0.14 -0.13 0.00 -2.23 0.00 0.00 60.65 58.20 2kpp s ILE 11 Cb -0.17 -3.64 -0.05 0.00 -1.58 0.00 0.00 42.46 37.03 2kpp s ILE 11 CO 0.08 0.06 0.25 -0.63 -1.23 0.00 0.00 174.94 173.47 2kpp s ILE 12 N 1.72 5.32 0.14 2.92 1.09 0.60 -0.95 121.20 132.04 2kpp s ILE 12 Ca 0.06 0.41 0.09 0.00 -1.10 0.00 0.00 60.65 60.11 2kpp s ILE 12 Cb -0.17 -3.58 -0.04 0.00 -1.06 0.00 0.00 42.46 37.61 2kpp s ILE 12 CO 0.10 0.35 -0.20 -0.94 -0.10 0.00 0.00 174.94 174.16 2kpp s SER 13 N 0.76 2.73 -0.03 3.58 1.04 0.67 -0.90 113.70 121.56 2kpp s SER 13 Ca 0.13 -0.80 -0.01 0.00 0.48 0.00 0.00 55.95 55.76 2kpp s SER 13 Cb -0.13 -0.16 0.03 0.00 0.10 0.00 0.00 66.02 65.86 2kpp s SER 13 CO 0.04 0.02 0.04 -1.58 0.98 0.00 0.00 173.24 172.74 2kpp s GLN 14 N -2.44 -0.01 -1.47 4.02 0.74 0.77 -1.05 119.66 120.22 2kpp s GLN 14 Ca 0.13 0.23 0.00 0.00 0.05 0.00 0.00 55.36 55.77 2kpp s GLN 14 Cb -0.08 -0.35 0.00 0.00 1.10 0.00 0.00 33.01 33.68 2kpp s GLN 14 CO 0.06 -0.21 0.00 0.09 -0.55 0.00 0.00 175.29 174.68 2kpp n ASN 15 N 4.51 -5.52 0.00 6.67 5.03 -0.07 -2.17 115.26 123.71 2kpp n ASN 15 Ca -0.21 0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.59 2kpp n ASN 15 Cb 0.50 -4.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.02 2kpp n ASN 15 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2kpp n GLY 16 N -0.14 1.36 3.90 7.41 0.00 -1.26 -5.09 105.19 111.36 2kpp n GLY 16 Ca -0.14 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 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 3.51 0.20 1.61 -2.85 -0.92 -5.05 119.74 116.24 2kpp s LYS 17 Ca 0.00 -0.24 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 2kpp s LYS 17 Cb 0.00 -3.03 -0.09 0.00 -2.06 0.00 0.00 37.83 32.66 2kpp s LYS 17 CO 0.00 0.61 1.29 0.08 0.10 0.00 0.00 175.35 177.42 2kpp s VAL 18 N -1.44 3.26 0.00 1.79 1.01 -1.26 -0.16 120.40 123.60 2kpp s VAL 18 Ca 0.32 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.36 2kpp s VAL 18 Cb -0.13 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2kpp s VAL 18 CO 0.22 0.16 0.00 2.30 0.00 0.00 0.00 175.10 177.78 2kpp n ILE 19 N 2.52 0.00 -3.71 2.22 -5.35 -0.07 -4.88 119.36 110.09 2kpp n ILE 19 Ca 0.05 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.40 2kpp n ILE 19 Cb 0.43 -0.97 -0.09 0.00 -1.74 0.00 0.00 39.64 37.27 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 -2.00 0.57 -0.08 6.28 6.06 -1.05 -5.05 118.95 123.69 2kpp s ARG 20 Ca 0.00 0.58 0.01 0.00 -2.50 0.00 0.00 55.73 53.81 2kpp s ARG 20 Cb 0.00 0.28 0.02 0.00 0.06 0.00 0.00 34.95 35.31 2kpp s ARG 20 CO 0.00 -0.08 -0.07 -1.21 -2.50 0.00 0.00 175.30 171.44 2kpp s GLU 21 N 0.09 1.28 -0.12 5.12 2.02 -1.26 -0.30 118.70 125.54 2kpp s GLU 21 Ca -0.01 -0.21 0.01 0.00 0.02 0.00 0.00 54.97 54.78 2kpp s GLU 21 Cb -0.03 -1.28 0.02 0.00 0.10 0.00 0.00 34.13 32.94 2kpp s GLU 21 CO 0.01 -0.15 -0.15 0.42 0.02 0.00 0.00 175.26 175.41 2kpp s ILE 22 N 1.28 1.55 -0.14 -1.63 1.09 -0.61 -5.02 121.20 117.71 2kpp s ILE 22 Ca -0.04 -0.66 -0.29 0.00 -1.10 0.00 0.00 60.65 58.56 2kpp s ILE 22 Cb -0.14 -1.42 -0.02 0.00 -1.06 0.00 0.00 42.46 39.82 2kpp s ILE 22 CO -0.03 0.45 1.38 -2.16 -0.10 0.00 0.00 174.94 174.48 2kpp s PRO 23 N 1.07 4.19 -0.07 2.79 0.04 -1.26 -0.54 135.00 141.22 2kpp s PRO 23 Ca -0.04 1.78 -0.01 0.00 0.04 0.00 0.00 61.00 62.77 2kpp s PRO 23 Cb -0.15 -3.84 -0.00 0.00 0.04 0.00 0.00 34.50 30.56 2kpp s PRO 23 CO -0.03 -0.78 -0.01 -0.07 0.04 0.00 0.00 177.00 176.14 2kpp h LEU 24 N 9.98 0.00 -9.41 -3.56 3.38 -1.73 -3.38 115.31 110.59 2kpp h LEU 24 Ca -0.30 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.14 2kpp h LEU 24 Cb 1.12 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.90 2kpp h LEU 24 CO 0.97 0.36 1.19 0.41 0.09 0.00 0.00 178.44 181.47 2kpp n THR 25 N -3.93 0.64 -0.56 0.22 -1.04 -1.10 -1.21 114.28 107.30 2kpp n THR 25 Ca -0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.89 2kpp n THR 25 Cb 0.02 -2.25 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 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 4.45 0.76 3.71 3.41 0.00 -1.26 -4.82 105.19 111.44 2kpp n GLY 26 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.79 3.52 -0.05 1.61 5.04 -0.35 -5.04 115.29 117.24 2kpp s HIS 27 Ca 0.00 1.50 -0.14 0.00 -1.54 0.00 0.00 55.06 54.88 2kpp s HIS 27 Cb 0.00 -3.26 -0.05 0.00 0.04 0.00 0.00 32.58 29.31 2kpp s HIS 27 CO 0.00 -0.60 0.37 -1.59 -2.34 0.00 0.00 174.74 170.58 2kpp s LYS 28 N 1.24 3.96 1.50 2.88 -2.85 -1.26 -4.25 119.74 120.95 2kpp s LYS 28 Ca 0.54 0.31 0.00 0.00 -1.00 0.00 0.00 55.97 55.82 2kpp s LYS 28 Cb -0.24 -3.27 0.00 0.00 -2.06 0.00 0.00 37.83 32.26 2kpp s LYS 28 CO 0.27 0.58 0.00 0.41 0.10 0.00 0.00 175.35 176.71 2kpp n GLY 29 N 2.21 -1.61 3.18 0.59 0.00 -1.26 -4.83 105.19 103.47 2kpp n GLY 29 Ca -0.14 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.25 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 3.32 -0.04 1.61 3.84 -1.26 -0.99 114.94 117.42 2kpp s ASN 30 Ca 0.00 -0.58 0.06 0.00 0.21 0.00 0.00 52.86 52.54 2kpp s ASN 30 Cb 0.00 -1.51 -0.02 0.00 -0.55 0.00 0.00 41.25 39.17 2kpp s ASN 30 CO 0.00 0.04 -0.20 -0.70 -2.79 0.00 0.00 177.10 173.45 2kpp s GLU 31 N 1.08 2.34 -0.06 0.43 2.56 0.09 -4.96 118.70 120.19 2kpp s GLU 31 Ca -0.00 -0.81 0.02 0.00 0.00 0.00 0.00 54.97 54.17 2kpp s GLU 31 Cb -0.14 -2.22 0.02 0.00 2.00 0.00 0.00 34.13 33.78 2kpp s GLU 31 CO -0.07 0.58 -0.09 -0.65 -0.56 0.00 0.00 175.26 174.47 2kpp s GLN 32 N -0.63 1.34 0.00 4.30 -0.21 -1.26 -0.24 119.66 122.96 2kpp s GLN 32 Ca 0.10 -0.28 0.00 0.00 0.02 0.00 0.00 55.36 55.20 2kpp s GLN 32 Cb -0.11 -1.18 -0.00 0.00 1.00 0.00 0.00 33.01 32.72 2kpp s GLN 32 CO 0.00 -0.03 -0.02 -0.59 -2.12 0.00 0.00 175.29 172.53 2kpp s PHE 33 N 0.80 0.17 -0.29 0.91 -0.71 -0.74 -5.00 117.98 113.13 2kpp s PHE 33 Ca -0.12 -0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 55.51 2kpp s PHE 33 Cb -0.15 -0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2kpp s PHE 33 CO 0.02 -0.03 0.31 0.99 -1.34 0.00 0.00 175.22 175.16 2kpp s THR 34 N -0.30 5.22 -0.31 -4.49 2.01 -1.26 -1.26 115.64 115.25 2kpp s THR 34 Ca -0.02 0.33 -0.28 0.00 0.31 0.00 0.00 61.69 62.03 2kpp s THR 34 Cb -0.02 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.83 2kpp s THR 34 CO -0.00 0.14 1.00 -0.63 -0.69 0.00 0.00 174.62 174.44 2kpp s ILE 35 N 1.95 4.59 -0.16 1.82 1.01 0.50 -4.91 121.20 126.00 2kpp s ILE 35 Ca 0.12 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.10 2kpp s ILE 35 Cb -0.16 -4.34 -0.00 0.00 0.01 0.00 0.00 42.46 37.96 2kpp s ILE 35 CO 0.11 -0.40 1.00 -0.54 0.00 0.00 0.00 174.94 175.11 2kpp s LYS 36 N 3.44 4.35 0.00 2.79 1.02 -1.26 -1.56 119.74 128.52 2kpp s LYS 36 Ca 0.42 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.76 2kpp s LYS 36 Cb -0.13 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.60 2kpp s LYS 36 CO 0.14 -0.44 0.00 0.41 -0.92 0.00 0.00 175.35 174.54 2kpp n GLY 37 N 3.21 4.49 3.68 -3.33 0.00 0.10 -4.96 105.19 108.38 2kpp n GLY 37 Ca 0.10 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.61 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 0.63 4.24 4.52 1.61 -0.14 -1.26 -4.56 119.74 124.79 2kpp s LYS 38 Ca 0.00 2.01 0.00 0.00 -1.36 0.00 0.00 55.97 56.62 2kpp s LYS 38 Cb 0.00 -3.70 0.00 0.00 -1.68 0.00 0.00 37.83 32.45 2kpp s LYS 38 CO 0.00 -0.67 0.00 0.41 -0.76 0.00 0.00 175.35 174.33 2kpp n GLY 39 N 3.79 0.69 0.46 -3.33 0.00 -1.26 -1.44 105.19 104.10 2kpp n GLY 39 Ca 0.14 0.57 0.12 0.00 0.00 0.00 0.00 46.02 46.86 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 8.68 3.15 -2.25 4.61 0.00 -1.26 -4.95 120.51 128.50 2kpp n ALA 40 Ca 0.00 -0.54 -0.41 0.00 0.00 0.00 0.00 53.44 52.48 2kpp n ALA 40 Cb 0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2kpp n ALA 40 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2kpp s GLN 41 N -2.38 4.56 0.20 0.00 -1.52 -0.52 -4.91 119.66 115.08 2kpp s GLN 41 Ca 0.24 1.67 -0.20 0.00 -1.95 0.00 0.00 55.36 55.12 2kpp s GLN 41 Cb 0.19 -3.32 0.04 0.00 -0.22 0.00 0.00 33.01 29.70 2kpp s GLN 41 CO 0.50 -0.01 0.59 1.52 -0.25 0.00 0.00 175.29 177.63 2kpp s TYR 42 N 0.26 -0.30 -0.12 0.91 1.13 -1.26 0.01 117.35 117.98 2kpp s TYR 42 Ca 0.52 -0.02 -0.03 0.00 -1.41 0.00 0.00 57.07 56.14 2kpp s TYR 42 Cb -0.28 0.52 0.04 0.00 -1.10 0.00 0.00 41.96 41.15 2kpp s TYR 42 CO 0.32 -0.95 0.04 -0.80 -2.51 0.00 0.00 175.55 171.65 2kpp s ASN 43 N -2.83 2.01 -0.59 -0.18 -0.87 -0.60 -3.81 114.94 108.07 2kpp s ASN 43 Ca 0.06 -0.36 -0.23 0.00 -1.57 0.00 0.00 52.86 50.76 2kpp s ASN 43 Cb -0.02 -0.39 0.06 0.00 -0.02 0.00 0.00 41.25 40.88 2kpp s ASN 43 CO -0.05 -0.27 0.92 -0.22 -2.57 0.00 0.00 177.10 174.91 2kpp s LEU 44 N 2.01 4.31 0.09 0.60 2.96 0.27 -0.37 118.68 128.56 2kpp s LEU 44 Ca 0.03 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.14 2kpp s LEU 44 Cb -0.14 -2.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.87 2kpp s LEU 44 CO -0.06 -1.28 0.45 -0.04 -1.32 0.00 0.00 176.35 174.09 2kpp s MET 45 N 3.85 3.84 -0.08 1.98 -1.94 -0.39 -1.42 119.30 125.15 2kpp s MET 45 Ca 0.25 0.29 0.01 0.00 -1.71 0.00 0.00 55.69 54.54 2kpp s MET 45 Cb -0.15 -2.99 0.02 0.00 2.01 0.00 0.00 34.83 33.72 2kpp s MET 45 CO 0.15 0.54 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.61 2kpp s GLU 46 N -1.87 1.46 -0.36 2.03 2.12 -0.05 -1.78 118.70 120.26 2kpp s GLU 46 Ca 0.34 -0.30 -0.06 0.00 0.36 0.00 0.00 54.97 55.31 2kpp s GLU 46 Cb -0.14 -1.35 0.06 0.00 0.26 0.00 0.00 34.13 32.96 2kpp s GLU 46 CO 0.18 -0.09 0.14 0.08 -0.54 0.00 0.00 175.26 175.03 2kpp s VAL 47 N 1.05 3.72 -0.36 3.70 1.01 0.66 -1.35 120.40 128.84 2kpp s VAL 47 Ca -0.08 -1.34 -0.08 0.00 0.00 0.00 0.00 61.98 60.49 2kpp s VAL 47 Cb -0.14 -3.20 0.04 0.00 0.00 0.00 0.00 36.38 33.08 2kpp s VAL 47 CO -0.01 -0.30 0.15 -0.62 0.00 0.00 0.00 175.10 174.31 2kpp s ASP 48 N 1.59 5.45 1.78 3.32 2.15 0.10 -0.73 116.67 130.34 2kpp s ASP 48 Ca 0.00 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 51.83 2kpp s ASP 48 Cb -0.21 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2kpp s ASP 48 CO 0.01 -0.36 0.00 0.61 -0.17 0.00 0.00 175.17 175.26 2kpp n GLY 49 N 4.87 1.46 0.91 2.66 0.00 -0.16 -1.27 105.19 113.66 2kpp n GLY 49 Ca -0.12 0.42 0.08 0.00 0.00 0.00 0.00 46.02 46.40 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 0.50 3.03 -4.24 1.61 1.02 -1.26 -3.98 120.64 117.33 2kpp n GLU 50 Ca 0.00 -2.72 -0.18 0.00 -0.02 0.00 0.00 57.16 54.24 2kpp n GLU 50 Cb 0.00 -1.76 -0.13 0.00 -0.02 0.00 0.00 31.44 29.53 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 -2.47 0.78 0.06 3.49 1.70 -0.40 -4.46 118.95 117.65 2kpp s ARG 51 Ca 0.40 -0.75 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 2kpp s ARG 51 Cb 0.31 -0.74 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 2kpp s ARG 51 CO 0.11 0.17 -0.14 -1.50 -1.08 0.00 0.00 175.30 172.86 2kpp s ILE 52 N -0.99 1.11 0.23 4.99 2.07 0.17 0.03 121.20 128.81 2kpp s ILE 52 Ca -0.01 -1.16 -0.22 0.00 -1.41 0.00 0.00 60.65 57.85 2kpp s ILE 52 Cb -0.08 -1.04 0.04 0.00 0.13 0.00 0.00 42.46 41.51 2kpp s ILE 52 CO 0.01 -0.11 0.66 0.00 -1.91 0.00 0.00 174.94 173.59 2kpp s ARG 53 N -1.45 1.56 -0.25 3.50 1.04 -0.46 -1.29 118.95 121.61 2kpp s ARG 53 Ca -0.00 -0.76 -0.20 0.00 -1.04 0.00 0.00 55.73 53.73 2kpp s ARG 53 Cb -0.09 0.60 -0.02 0.00 -2.04 0.00 0.00 34.95 33.40 2kpp s ARG 53 CO 0.02 -0.70 0.62 0.42 -0.04 0.00 0.00 175.30 175.61 2kpp s ILE 54 N -3.85 5.00 -0.01 4.99 1.01 -1.26 -0.87 121.20 126.22 2kpp s ILE 54 Ca 0.07 1.11 0.09 0.00 0.00 0.00 0.00 60.65 61.91 2kpp s ILE 54 Cb -0.04 -3.92 -0.23 0.00 0.01 0.00 0.00 42.46 38.28 2kpp s ILE 54 CO -0.02 0.04 0.79 0.50 0.00 0.00 0.00 174.94 176.26 2kpp h LYS 55 N 7.86 0.04 -1.60 2.79 3.64 -1.58 -3.38 116.57 124.34 2kpp h LYS 55 Ca -0.28 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.10 2kpp h LYS 55 Cb 1.13 0.03 -0.26 0.00 -0.41 0.00 0.00 32.23 32.71 2kpp h LYS 55 CO 0.77 0.71 0.44 -2.00 -2.27 0.00 0.00 179.45 177.09 2kpp s GLU 56 N -2.62 0.50 0.31 1.90 2.12 -1.21 -5.04 118.70 114.66 2kpp s GLU 56 Ca -0.05 0.62 -0.13 0.00 0.36 0.00 0.00 54.97 55.77 2kpp s GLU 56 Cb 0.08 0.23 0.05 0.00 0.26 0.00 0.00 34.13 34.75 2kpp s GLU 56 CO 0.82 -0.06 0.68 -0.40 -0.54 0.00 0.00 175.26 175.76 2kpp n ASP 57 N 2.38 -1.85 -2.20 -1.70 5.75 -1.26 -0.56 116.55 117.10 2kpp n ASP 57 Ca -0.13 -2.25 -0.27 0.00 -0.01 0.00 0.00 54.79 52.13 2kpp n ASP 57 Cb 0.56 3.07 0.03 0.00 -1.03 0.00 0.00 41.12 43.75 2kpp n ASP 57 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2kpp n ASN 58 N -1.41 5.58 -4.73 -1.12 6.94 -1.25 -5.01 115.26 114.26 2kpp n ASN 58 Ca -0.07 -3.76 -0.39 0.00 -0.02 0.00 0.00 54.58 50.34 2kpp n ASN 58 Cb 0.49 -0.52 -0.05 0.00 -2.36 0.00 0.00 39.78 37.33 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2kpp s SER 59 N -3.11 6.95 0.28 0.53 0.01 -1.26 -4.96 113.70 112.14 2kpp s SER 59 Ca 0.53 1.13 0.02 0.00 1.31 0.00 0.00 55.95 58.95 2kpp s SER 59 Cb 0.43 -2.38 0.61 0.00 0.21 0.00 0.00 66.02 64.89 2kpp s SER 59 CO -0.03 -0.02 1.79 1.55 0.41 0.00 0.00 173.24 176.94 2kpp h PRO 60 N 6.35 0.76 0.00 12.44 0.13 -1.98 -1.05 132.00 148.66 2kpp h PRO 60 Ca -0.42 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kpp h PRO 60 Cb 1.20 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2kpp h PRO 60 CO 0.73 0.51 -0.80 -0.25 -0.23 0.00 0.00 178.00 177.96 2kpp n ASP 61 N -4.76 0.63 -3.87 1.44 9.92 -1.26 -5.01 116.55 113.64 2kpp n ASP 61 Ca 0.20 -0.17 -0.30 0.00 -0.53 0.00 0.00 54.79 53.99 2kpp n ASP 61 Cb 0.46 0.51 0.00 0.00 -0.64 0.00 0.00 41.12 41.45 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kpp n GLN 62 N -1.87 -1.27 -0.03 -1.24 6.02 -0.40 -4.91 117.38 113.68 2kpp n GLN 62 Ca 0.03 0.60 -0.15 0.00 -0.01 0.00 0.00 57.00 57.47 2kpp n GLN 62 Cb 0.41 -2.26 -0.10 0.00 1.02 0.00 0.00 30.24 29.31 2kpp n GLN 62 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2kpp h VAL 63 N -0.79 1.47 -0.70 5.09 2.07 -1.87 -3.22 116.25 118.30 2kpp h VAL 63 Ca -0.66 -1.77 0.07 0.00 0.82 0.00 0.00 66.70 65.15 2kpp h VAL 63 Cb 1.41 2.49 -0.06 0.00 -1.52 0.00 0.00 31.29 33.61 2kpp h VAL 63 CO 0.40 0.50 0.39 1.23 0.02 0.00 0.00 177.57 180.11 2kpp h GLY 64 N -0.32 1.04 1.21 2.17 0.00 -1.91 -1.64 103.07 103.63 2kpp h GLY 64 Ca -0.02 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2kpp h GLY 64 CO 0.05 0.15 0.40 -2.08 0.00 0.00 0.00 176.54 175.07 2kpp h VAL 65 N 0.70 1.22 0.00 4.60 2.07 -1.75 -2.64 116.25 120.45 2kpp h VAL 65 Ca 0.32 -0.56 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 2kpp h VAL 65 Cb 0.23 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 2kpp h VAL 65 CO -0.20 0.25 -0.47 0.11 0.02 0.00 0.00 177.57 177.28 2kpp h LYS 66 N 1.04 0.00 -0.24 1.57 1.57 -1.34 -2.98 116.57 116.19 2kpp h LYS 66 Ca 0.26 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 59.11 2kpp h LYS 66 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 2kpp h LYS 66 CO -0.04 0.47 0.19 0.52 -0.57 0.00 0.00 179.45 180.01 2kpp h MET 67 N 0.00 0.00 0.00 3.15 2.86 -0.94 -3.48 114.93 116.52 2kpp h MET 67 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kpp h MET 67 Cb 0.92 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.58 2kpp h MET 67 CO 0.06 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.44 2kpp n GLY 68 N -1.54 -0.99 3.65 8.32 0.00 -1.13 -4.79 105.19 108.71 2kpp n GLY 68 Ca 0.03 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 3.30 0.12 1.61 0.52 -1.26 -4.62 118.94 118.61 2kpp s TRP 69 Ca 0.00 1.26 0.07 0.00 0.02 0.00 0.00 56.10 57.45 2kpp s TRP 69 Cb 0.00 -3.22 -0.04 0.00 -1.15 0.00 0.00 33.47 29.06 2kpp s TRP 69 CO 0.00 -0.48 -0.05 0.15 0.02 0.00 0.00 176.95 176.59 2kpp s LYS 70 N 3.08 2.29 0.00 4.98 -0.14 -0.41 -4.96 119.74 124.58 2kpp s LYS 70 Ca 0.40 -1.00 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 2kpp s LYS 70 Cb -0.15 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.63 2kpp s LYS 70 CO 0.08 0.50 0.00 -1.13 -0.76 0.00 0.00 175.35 174.04 2kpp n SER 71 N 0.48 0.00 -4.31 2.83 3.41 -1.26 -0.66 113.62 114.11 2kpp n SER 71 Ca -0.12 -0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 57.69 2kpp n SER 71 Cb 0.53 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.36 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 1.20 -0.51 4.33 -0.14 -1.26 -4.93 119.74 118.44 2kpp s LYS 72 Ca 0.00 -1.28 -0.26 0.00 -1.36 0.00 0.00 55.97 53.07 2kpp s LYS 72 Cb 0.00 -1.37 -0.07 0.00 -1.68 0.00 0.00 37.83 34.70 2kpp s LYS 72 CO 0.00 0.30 2.43 0.00 -0.76 0.00 0.00 175.35 177.32 2kpp n ALA 73 N 0.71 0.76 0.00 5.17 0.00 -1.26 -1.42 120.51 124.47 2kpp n ALA 73 Ca -0.16 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.35 2kpp n ALA 73 Cb 0.55 -3.19 0.00 0.00 0.00 0.00 0.00 19.45 16.81 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 6.03 0.94 3.73 0.00 0.00 -0.16 -4.91 105.19 110.81 2kpp n GLY 74 Ca 0.38 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.99 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 7.31 0.04 1.61 1.01 -0.51 -4.91 116.67 121.22 2kpp s ASP 75 Ca 0.00 2.00 0.02 0.00 0.71 0.00 0.00 52.55 55.28 2kpp s ASP 75 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.31 2kpp s ASP 75 CO 0.00 -0.21 -0.08 0.42 0.21 0.00 0.00 175.17 175.51 2kpp s THR 76 N -0.00 0.57 -0.14 -1.27 -4.23 -1.26 -0.52 115.64 108.78 2kpp s THR 76 Ca 0.50 -1.11 0.01 0.00 -1.18 0.00 0.00 61.69 59.91 2kpp s THR 76 Cb -0.28 -0.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 2kpp s THR 76 CO 0.33 -0.38 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.24 2kpp s ILE 77 N -1.42 2.73 -0.22 2.99 -1.09 0.50 -4.97 121.20 119.73 2kpp s ILE 77 Ca -0.09 -0.76 -0.02 0.00 -2.23 0.00 0.00 60.65 57.55 2kpp s ILE 77 Cb -0.10 -2.14 0.01 0.00 -1.58 0.00 0.00 42.46 38.65 2kpp s ILE 77 CO 0.00 0.52 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.45 2kpp s VAL 78 N 0.62 2.85 -0.66 2.92 1.01 -1.26 -0.97 120.40 124.90 2kpp s VAL 78 Ca -0.09 -0.77 0.05 0.00 0.00 0.00 0.00 61.98 61.18 2kpp s VAL 78 Cb -0.16 -2.32 0.20 0.00 0.00 0.00 0.00 36.38 34.11 2kpp s VAL 78 CO 0.03 0.39 0.59 0.00 0.00 0.00 0.00 175.10 176.11 2kpp h LEU 80 N 4.87 -0.29 -1.81 0.00 3.38 -1.95 0.49 115.31 119.98 2kpp h LEU 80 Ca 0.17 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kpp h LEU 80 Cb 0.73 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2kpp h LEU 80 CO 0.74 -0.12 0.13 -0.65 0.09 0.00 0.00 178.44 178.63 2kpp h PRO 81 N -0.07 0.00 -0.00 1.13 0.11 -1.96 -0.51 132.00 130.70 2kpp h PRO 81 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2kpp h PRO 81 Cb 0.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.33 2kpp h PRO 81 CO -0.23 0.00 -0.11 0.72 -0.21 0.00 0.00 178.00 178.17 2kpp n HIS 82 N -2.54 0.00 -2.44 0.65 8.25 -0.71 -5.01 115.22 113.41 2kpp n HIS 82 Ca -0.02 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.24 2kpp n HIS 82 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.25 -1.92 -4.58 -0.41 5.02 0.08 -4.82 118.16 111.28 2kpp n LYS 83 Ca 0.03 0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 56.92 2kpp n LYS 83 Cb 0.13 -5.55 -0.11 0.00 -0.02 0.00 0.00 35.03 29.48 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 -3.00 3.77 -0.02 -0.18 1.01 -0.81 -0.89 120.40 120.29 2kpp s VAL 84 Ca 0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.57 2kpp s VAL 84 Cb -0.01 -2.56 0.02 0.00 0.00 0.00 0.00 36.38 33.83 2kpp s VAL 84 CO 0.04 0.59 0.01 0.12 0.00 0.00 0.00 175.10 175.86 2kpp s PHE 85 N -0.67 0.13 -0.06 5.22 5.36 -0.22 -0.86 117.98 126.87 2kpp s PHE 85 Ca 0.10 0.05 0.05 0.00 -0.96 0.00 0.00 56.93 56.18 2kpp s PHE 85 Cb -0.11 -0.24 -0.01 0.00 -0.34 0.00 0.00 43.02 42.32 2kpp s PHE 85 CO 0.02 -0.08 -0.23 0.08 -1.46 0.00 0.00 175.22 173.55 2kpp s VAL 86 N 0.76 1.92 -0.11 3.12 1.01 -0.15 -0.24 120.40 126.72 2kpp s VAL 86 Ca -0.07 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.95 2kpp s VAL 86 Cb -0.10 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.66 2kpp s VAL 86 CO -0.02 0.54 -0.18 -1.83 0.00 0.00 0.00 175.10 173.61 2kpp s GLU 87 N -0.02 2.47 -0.32 2.72 -1.05 -0.12 -0.37 118.70 122.01 2kpp s GLU 87 Ca -0.06 -0.66 -0.16 0.00 -0.15 0.00 0.00 54.97 53.94 2kpp s GLU 87 Cb -0.14 -2.03 -0.02 0.00 -0.44 0.00 0.00 34.13 31.50 2kpp s GLU 87 CO 0.04 -0.01 0.41 0.42 0.95 0.00 0.00 175.26 177.07 2kpp s ILE 88 N 0.83 5.12 0.20 1.83 1.01 0.32 -0.65 121.20 129.86 2kpp s ILE 88 Ca -0.09 0.31 0.07 0.00 0.00 0.00 0.00 60.65 60.94 2kpp s ILE 88 Cb -0.16 -3.83 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 2kpp s ILE 88 CO 0.00 -0.05 -0.12 -1.59 0.00 0.00 0.00 174.94 173.18 2kpp s LYS 89 N 2.15 1.29 0.27 2.79 -2.85 -0.21 -0.99 119.74 122.18 2kpp s LYS 89 Ca 0.15 -1.58 -0.14 0.00 -1.00 0.00 0.00 55.97 53.41 2kpp s LYS 89 Cb -0.16 -0.99 -0.08 0.00 -2.06 0.00 0.00 37.83 34.53 2kpp s LYS 89 CO 0.12 0.14 0.67 0.45 0.10 0.00 0.00 175.35 176.82 2kpp s SER 90 N -3.29 6.76 0.13 0.03 0.15 -1.26 -0.62 113.70 115.60 2kpp s SER 90 Ca 0.22 1.17 0.24 0.00 0.70 0.00 0.00 55.95 58.28 2kpp s SER 90 Cb 0.01 -2.33 0.31 0.00 -1.71 0.00 0.00 66.02 62.30 2kpp s SER 90 CO 0.06 -0.12 1.30 0.71 1.20 0.00 0.00 173.24 176.39 2kpp h THR 91 N 2.10 0.00 -5.70 6.45 1.35 -1.64 -3.47 112.91 112.00 2kpp h THR 91 Ca -0.48 -0.55 -0.47 0.00 -0.55 0.00 0.00 66.41 64.36 2kpp h THR 91 Cb 1.18 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.70 2kpp h THR 91 CO 0.66 0.00 -0.20 0.00 -0.25 0.00 0.00 175.52 175.74 2kpp n GLN 92 N -2.19 0.77 -2.83 4.72 6.02 -1.26 -5.08 117.38 117.52 2kpp n GLN 92 Ca 0.03 -2.87 -0.42 0.00 -0.01 0.00 0.00 57.00 53.74 2kpp n GLN 92 Cb 0.45 0.21 -0.04 0.00 1.02 0.00 0.00 30.24 31.88 2kpp n GLN 92 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 2kpp s LYS 93 N -3.98 4.37 0.27 -1.09 1.02 -1.26 -5.03 119.74 114.04 2kpp s LYS 93 Ca 0.32 1.14 -0.21 0.00 0.02 0.00 0.00 55.97 57.24 2kpp s LYS 93 Cb -0.03 -3.54 0.04 0.00 -0.52 0.00 0.00 37.83 33.79 2kpp s LYS 93 CO 0.20 -0.25 0.81 0.16 -0.92 0.00 0.00 175.35 175.35 2kpp s ASP 94 N 1.08 -0.17 -0.45 2.83 -4.77 -1.26 -5.14 116.67 108.79 2kpp s ASP 94 Ca 0.42 -0.68 -0.22 0.00 -3.30 0.00 0.00 52.55 48.77 2kpp s ASP 94 Cb -0.18 0.68 0.03 0.00 -1.09 0.00 0.00 42.92 42.36 2kpp s ASP 94 CO 0.16 -1.29 0.75 -0.94 0.70 0.00 0.00 175.17 174.55 2kpp s SER 95 N -2.99 6.39 0.21 2.11 1.04 -1.26 -5.03 113.70 114.17 2kpp s SER 95 Ca 0.13 -0.18 -0.03 0.00 0.48 0.00 0.00 55.95 56.35 2kpp s SER 95 Cb -0.04 -2.37 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 2kpp s SER 95 CO 0.07 -0.88 0.18 -0.54 0.98 0.00 0.00 173.24 173.04 2kpp s LYS 96 N 3.17 1.26 -0.38 4.02 1.02 -1.26 -5.13 119.74 122.44 2kpp s LYS 96 Ca 0.28 -1.58 -0.14 0.00 0.02 0.00 0.00 55.97 54.55 2kpp s LYS 96 Cb -0.13 0.30 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 2kpp s LYS 96 CO 0.22 -0.43 0.28 -0.51 -0.92 0.00 0.00 175.35 173.98 2kpp s ASP 97 N -3.14 6.07 0.57 2.83 1.11 -1.26 -4.96 116.67 117.90 2kpp s ASP 97 Ca 0.37 -0.75 0.36 0.00 0.18 0.00 0.00 52.55 52.71 2kpp s ASP 97 Cb 0.06 -2.15 1.60 0.00 1.07 0.00 0.00 42.92 43.50 2kpp s ASP 97 CO 0.12 -0.38 2.07 -0.65 1.18 0.00 0.00 175.17 177.52 2kpp h PRO 98 N 8.57 0.00 -5.37 8.23 0.11 -2.02 -3.42 132.00 138.11 2kpp h PRO 98 Ca -0.28 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.19 2kpp h PRO 98 Cb 1.13 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.92 2kpp h PRO 98 CO 0.70 0.01 -0.86 0.34 -0.21 0.00 0.00 178.00 177.97 2kpp s ASP 99 N -5.61 2.73 -0.21 -2.05 -1.08 -1.26 -5.12 116.67 104.07 2kpp s ASP 99 Ca -0.00 -0.47 -0.08 0.00 -0.52 0.00 0.00 52.55 51.47 2kpp s ASP 99 Cb 0.10 -1.06 0.09 0.00 -1.46 0.00 0.00 42.92 40.59 2kpp s ASP 99 CO 0.52 0.16 0.46 -0.89 0.52 0.00 0.00 175.17 175.94 2kpp s THR 100 N 0.23 -0.49 -0.16 1.71 2.01 -1.26 -5.15 115.64 112.53 2kpp s THR 100 Ca -0.12 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 61.87 2kpp s THR 100 Cb -0.16 -0.71 0.05 0.00 0.01 0.00 0.00 72.50 71.69 2kpp s THR 100 CO 0.06 0.05 0.41 1.51 -0.69 0.00 0.00 174.62 175.96 2kpp s ASP 101 N 2.28 -0.46 -0.45 3.53 1.47 -1.26 -5.11 116.67 116.66 2kpp s ASP 101 Ca -0.05 0.86 0.06 0.00 1.18 0.00 0.00 52.55 54.60 2kpp s ASP 101 Cb -0.11 0.82 0.18 0.00 -0.34 0.00 0.00 42.92 43.47 2kpp s ASP 101 CO -0.14 -0.16 0.56 -0.22 0.68 0.00 0.00 175.17 175.89 2kpp s LEU 102 N 0.67 -0.58 -0.56 2.11 2.96 -1.26 -5.11 118.68 116.91 2kpp s LEU 102 Ca -0.04 -1.83 -0.25 0.00 -0.22 0.00 0.00 54.13 51.79 2kpp s LEU 102 Cb -0.05 1.15 0.04 0.00 0.50 0.00 0.00 46.19 47.83 2kpp s LEU 102 CO -0.04 -0.14 1.02 -0.63 -1.32 0.00 0.00 176.35 175.23 2kpp s ILE 103 N 0.97 4.28 0.23 6.68 1.01 -1.26 -5.03 121.20 128.07 2kpp s ILE 103 Ca 0.26 0.45 -0.29 0.00 0.00 0.00 0.00 60.65 61.06 2kpp s ILE 103 Cb -0.03 -4.60 -0.09 0.00 0.01 0.00 0.00 42.46 37.75 2kpp s ILE 103 CO -0.08 -1.19 0.92 0.68 0.00 0.00 0.00 174.94 175.27 2kpp s VAL 104 N 4.25 4.12 0.52 2.92 -7.23 -1.26 -5.04 120.40 118.69 2kpp s VAL 104 Ca 0.34 2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 62.32 2kpp s VAL 104 Cb -0.11 -4.30 -0.06 0.00 0.56 0.00 0.00 36.38 32.47 2kpp s VAL 104 CO 0.21 0.50 1.34 -2.84 -0.31 0.00 0.00 175.10 174.00 2kpp s PRO 105 N -1.15 3.31 0.20 4.82 0.02 -1.26 -5.04 135.00 135.90 2kpp s PRO 105 Ca 0.40 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.52 2kpp s PRO 105 Cb -0.26 -2.34 -0.01 0.00 0.02 0.00 0.00 34.50 31.92 2kpp s PRO 105 CO 0.31 -1.04 0.36 0.54 -0.33 0.00 0.00 177.00 176.84 2kpp s ASN 106 N -0.94 -0.02 0.11 2.53 2.20 -1.26 -5.14 114.94 112.41 2kpp s ASN 106 Ca 0.69 -0.89 -0.31 0.00 -0.94 0.00 0.00 52.86 51.41 2kpp s ASN 106 Cb -0.39 0.49 -0.07 0.00 -2.00 0.00 0.00 41.25 39.28 2kpp s ASN 106 CO 0.47 -0.98 1.28 -0.22 -2.94 0.00 0.00 177.10 174.71 2kpp s LEU 107 N -2.99 4.38 -0.08 3.54 0.20 -1.26 -4.99 118.68 117.48 2kpp s LEU 107 Ca 0.20 2.20 -0.30 0.00 0.69 0.00 0.00 54.13 56.92 2kpp s LEU 107 Cb 0.02 -3.59 -0.04 0.00 -0.43 0.00 0.00 46.19 42.15 2kpp s LEU 107 CO 0.03 -0.53 1.43 -1.83 -0.29 0.00 0.00 176.35 175.16 2kpp s GLU 108 N 0.80 4.23 -0.61 1.98 -1.05 -1.26 -4.98 118.70 117.81 2kpp s GLU 108 Ca 0.60 1.92 -0.23 0.00 -0.15 0.00 0.00 54.97 57.10 2kpp s GLU 108 Cb -0.33 -3.78 0.05 0.00 -0.44 0.00 0.00 34.13 29.64 2kpp s GLU 108 CO 0.31 -0.71 0.97 -3.38 0.95 0.00 0.00 175.26 173.40 2kpp s HIS 109 N 3.32 2.71 0.05 4.83 -3.43 -1.26 -5.02 115.29 116.49 2kpp s HIS 109 Ca 0.63 -0.29 0.08 0.00 -0.80 0.00 0.00 55.06 54.69 2kpp s HIS 109 Cb -0.28 -4.20 -0.03 0.00 -1.43 0.00 0.00 32.58 26.64 2kpp s HIS 109 CO 0.23 -1.53 -0.23 -3.38 -2.00 0.00 0.00 174.74 167.83 2kpp s HIS 110 N 4.08 2.01 0.08 0.38 -3.43 -1.26 -5.13 115.29 112.01 2kpp s HIS 110 Ca 0.26 -0.39 -0.21 0.00 -0.80 0.00 0.00 55.06 53.92 2kpp s HIS 110 Cb -0.14 -1.18 -0.07 0.00 -1.43 0.00 0.00 32.58 29.76 2kpp s HIS 110 CO 0.14 0.13 0.64 -1.01 -2.00 0.00 0.00 174.74 172.64 2kpp s HIS 111 N -0.84 3.80 -0.14 0.38 3.76 -1.26 -5.06 115.29 115.93 2kpp s HIS 111 Ca 0.09 1.36 -0.15 0.00 -0.15 0.00 0.00 55.06 56.21 2kpp s HIS 111 Cb -0.09 -2.61 -0.05 0.00 1.11 0.00 0.00 32.58 30.95 2kpp s HIS 111 CO 0.02 0.50 0.36 -1.01 -0.85 0.00 0.00 174.74 173.76 2kpp s HIS 112 N -0.85 3.49 -0.21 1.40 3.76 -1.26 -4.97 115.29 116.65 2kpp s HIS 112 Ca 0.32 0.71 -0.01 0.00 -0.15 0.00 0.00 55.06 55.93 2kpp s HIS 112 Cb -0.20 -2.41 -0.13 0.00 1.11 0.00 0.00 32.58 30.96 2kpp s HIS 112 CO 0.21 0.24 -0.20 0.72 -0.85 0.00 0.00 174.74 174.85 2kpp n HIS 113 N 3.50 0.00 -1.53 1.40 8.25 -1.26 -5.37 115.22 120.21 2kpp n HIS 113 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2kpp n HIS 113 Cb 0.52 -0.79 0.00 0.00 1.12 0.00 0.00 29.99 30.84 2kpp n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56