#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 -1.12 -3.53 2.12 4.81 -1.26 -5.07 118.16 114.11 2kpp n LYS 2 Ca 0.00 1.33 -0.01 0.00 -0.87 0.00 0.00 58.31 58.76 2kpp n LYS 2 Cb 0.00 -4.84 -0.04 0.00 0.02 0.00 0.00 35.03 30.17 2kpp n LYS 2 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kpp s ASN 3 N -2.73 -1.05 -0.08 3.14 3.04 -1.26 -5.05 114.94 110.94 2kpp s ASN 3 Ca 0.02 1.31 -0.00 0.00 0.04 0.00 0.00 52.86 54.23 2kpp s ASN 3 Cb -0.01 2.13 -0.03 0.00 -1.54 0.00 0.00 41.25 41.80 2kpp s ASN 3 CO 0.59 -0.23 -0.05 0.28 -3.04 0.00 0.00 177.10 174.65 2kpp s THR 4 N 2.85 3.87 0.25 -5.21 -1.32 -1.26 -5.03 115.64 109.79 2kpp s THR 4 Ca 0.01 -0.41 0.16 0.00 -1.21 0.00 0.00 61.69 60.24 2kpp s THR 4 Cb -0.13 -2.61 0.09 0.00 -1.51 0.00 0.00 72.50 68.34 2kpp s THR 4 CO -0.19 0.59 1.74 1.23 -2.21 0.00 0.00 174.62 175.78 2kpp h GLY 5 N 5.44 0.00 -4.47 6.08 0.00 -2.05 -3.43 103.07 104.63 2kpp h GLY 5 Ca -0.47 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.32 2kpp h GLY 5 CO 0.54 0.00 0.17 0.51 0.00 0.00 0.00 176.54 177.76 2kpp s ASP 6 N -6.62 7.25 -0.30 0.19 1.47 -1.26 -5.06 116.67 112.35 2kpp s ASP 6 Ca -0.01 1.49 -0.05 0.00 1.18 0.00 0.00 52.55 55.16 2kpp s ASP 6 Cb 0.12 -2.48 0.03 0.00 -0.34 0.00 0.00 42.92 40.25 2kpp s ASP 6 CO 0.71 0.05 0.04 -1.61 0.68 0.00 0.00 175.17 175.04 2kpp s GLU 7 N -0.24 2.81 0.05 2.11 2.02 -1.26 -4.83 118.70 119.36 2kpp s GLU 7 Ca 0.38 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 54.42 2kpp s GLU 7 Cb -0.21 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.71 2kpp s GLU 7 CO 0.24 -0.52 -0.22 0.14 0.02 0.00 0.00 175.26 174.91 2kpp s VAL 8 N 1.40 1.81 0.01 2.63 -7.23 -1.26 -0.44 120.40 117.32 2kpp s VAL 8 Ca -0.00 -1.27 0.07 0.00 -1.81 0.00 0.00 61.98 58.97 2kpp s VAL 8 Cb -0.18 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 2kpp s VAL 8 CO 0.00 0.24 -0.22 0.68 -0.31 0.00 0.00 175.10 175.49 2kpp s VAL 9 N -0.82 1.79 -0.39 1.32 -7.23 0.52 -1.42 120.40 114.17 2kpp s VAL 9 Ca 0.09 -1.08 -0.19 0.00 -1.81 0.00 0.00 61.98 58.99 2kpp s VAL 9 Cb -0.09 -1.51 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2kpp s VAL 9 CO 0.02 0.40 0.54 0.00 -0.31 0.00 0.00 175.10 175.75 2kpp s ALA 10 N -0.64 3.43 -0.33 1.32 0.00 0.49 -0.93 121.76 125.10 2kpp s ALA 10 Ca 0.09 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.74 2kpp s ALA 10 Cb -0.09 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2kpp s ALA 10 CO 0.00 -1.45 0.43 0.42 0.00 0.00 0.00 175.76 175.16 2kpp s ILE 11 N 2.49 5.11 -0.29 0.00 -1.09 0.12 -1.62 121.20 125.92 2kpp s ILE 11 Ca 0.19 0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.77 2kpp s ILE 11 Cb -0.15 -3.86 -0.03 0.00 -1.58 0.00 0.00 42.46 36.83 2kpp s ILE 11 CO 0.15 -0.10 0.18 -0.63 -1.23 0.00 0.00 174.94 173.31 2kpp s ILE 12 N 2.18 5.04 -0.05 2.92 1.09 0.62 -0.98 121.20 132.02 2kpp s ILE 12 Ca 0.15 -0.05 0.05 0.00 -1.10 0.00 0.00 60.65 59.70 2kpp s ILE 12 Cb -0.16 -3.46 -0.02 0.00 -1.06 0.00 0.00 42.46 37.76 2kpp s ILE 12 CO 0.12 0.18 -0.20 -0.44 -0.10 0.00 0.00 174.94 174.50 2kpp s SER 13 N 1.71 3.52 0.01 3.58 0.01 0.09 -0.80 113.70 121.82 2kpp s SER 13 Ca 0.06 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.99 2kpp s SER 13 Cb -0.16 -0.76 -0.01 0.00 0.21 0.00 0.00 66.02 65.30 2kpp s SER 13 CO 0.09 0.30 -0.07 -1.58 0.41 0.00 0.00 173.24 172.39 2kpp s GLN 14 N -0.48 0.56 -1.46 12.44 0.74 0.23 -0.49 119.66 131.20 2kpp s GLN 14 Ca 0.06 -0.39 -0.06 0.00 0.05 0.00 0.00 55.36 55.02 2kpp s GLN 14 Cb -0.12 -0.50 0.03 0.00 1.10 0.00 0.00 33.01 33.52 2kpp s GLN 14 CO 0.01 0.13 0.53 0.09 -0.55 0.00 0.00 175.29 175.50 2kpp n ASN 15 N 2.53 -5.30 -0.69 6.67 3.02 -0.33 -1.87 115.26 119.28 2kpp n ASN 15 Ca -0.15 -0.29 -0.09 0.00 -0.03 0.00 0.00 54.58 54.02 2kpp n ASN 15 Cb 0.57 -4.31 -0.03 0.00 -0.61 0.00 0.00 39.78 35.39 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 -1.38 0.92 3.06 7.41 0.00 -1.26 -5.02 105.19 108.93 2kpp n GLY 16 Ca -0.09 -0.64 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.93 0.30 0.02 1.61 -2.85 -0.78 -5.13 119.74 109.97 2kpp s LYS 17 Ca 0.00 -0.02 -0.30 0.00 -1.00 0.00 0.00 55.97 54.65 2kpp s LYS 17 Cb 0.00 0.13 -0.07 0.00 -2.06 0.00 0.00 37.83 35.84 2kpp s LYS 17 CO 0.00 -0.06 1.54 0.08 0.10 0.00 0.00 175.35 177.01 2kpp s VAL 18 N -0.48 3.42 -0.01 1.79 1.01 -1.26 -0.60 120.40 124.26 2kpp s VAL 18 Ca -0.06 0.79 0.09 0.00 0.00 0.00 0.00 61.98 62.81 2kpp s VAL 18 Cb -0.04 -3.51 -0.15 0.00 0.00 0.00 0.00 36.38 32.69 2kpp s VAL 18 CO 0.01 -0.01 0.20 2.30 0.00 0.00 0.00 175.10 177.60 2kpp n ILE 19 N 4.83 0.01 -3.61 2.22 -5.35 0.02 -4.90 119.36 112.57 2kpp n ILE 19 Ca 0.15 -0.22 -0.16 0.00 -0.27 0.00 0.00 62.75 62.26 2kpp n ILE 19 Cb 0.42 0.28 -0.07 0.00 -1.74 0.00 0.00 39.64 38.53 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 -2.65 0.87 -0.04 6.28 6.06 -0.84 -5.03 118.95 123.61 2kpp s ARG 20 Ca -0.03 0.49 -0.01 0.00 -2.50 0.00 0.00 55.73 53.68 2kpp s ARG 20 Cb 0.06 0.42 0.03 0.00 0.06 0.00 0.00 34.95 35.51 2kpp s ARG 20 CO 0.39 -0.20 0.02 -1.83 -2.50 0.00 0.00 175.30 171.18 2kpp s GLU 21 N -0.51 0.18 -0.10 5.12 4.04 -1.26 -0.28 118.70 125.89 2kpp s GLU 21 Ca -0.06 0.19 0.01 0.00 0.04 0.00 0.00 54.97 55.15 2kpp s GLU 21 Cb -0.03 -0.53 0.02 0.00 0.02 0.00 0.00 34.13 33.61 2kpp s GLU 21 CO 0.05 -0.23 -0.13 0.42 -1.84 0.00 0.00 175.26 173.54 2kpp s ILE 22 N 1.54 1.31 -0.22 1.83 1.01 -0.64 -4.96 121.20 121.07 2kpp s ILE 22 Ca -0.03 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 2kpp s ILE 22 Cb -0.13 -1.23 -0.01 0.00 0.01 0.00 0.00 42.46 41.10 2kpp s ILE 22 CO -0.03 0.41 1.37 -2.84 0.00 0.00 0.00 174.94 173.85 2kpp s PRO 23 N 1.12 4.03 -0.09 2.79 0.02 -1.26 -0.38 135.00 141.23 2kpp s PRO 23 Ca -0.05 1.55 -0.25 0.00 0.02 0.00 0.00 61.00 62.26 2kpp s PRO 23 Cb -0.14 -3.87 -0.28 0.00 0.02 0.00 0.00 34.50 30.22 2kpp s PRO 23 CO -0.03 -0.98 0.85 -0.07 -0.33 0.00 0.00 177.00 176.45 2kpp h LEU 24 N 10.56 0.24 -9.22 -5.54 3.38 -1.58 -3.39 115.31 109.77 2kpp h LEU 24 Ca -0.29 -0.96 -0.56 0.00 0.09 0.00 0.00 57.88 56.16 2kpp h LEU 24 Cb 1.12 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.80 2kpp h LEU 24 CO 1.00 1.18 1.29 0.41 0.09 0.00 0.00 178.44 182.41 2kpp n THR 25 N -4.37 0.61 -0.78 0.22 -1.04 -1.20 -1.62 114.28 106.09 2kpp n THR 25 Ca -0.12 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2kpp n THR 25 Cb 0.64 -2.30 0.00 0.00 -1.82 0.00 0.00 70.33 66.85 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 4.93 0.81 3.71 3.41 0.00 -1.26 -4.91 105.19 111.87 2kpp n GLY 26 Ca 0.24 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 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 -3.09 3.28 0.07 1.61 5.04 -0.64 -5.03 115.29 116.53 2kpp s HIS 27 Ca 0.00 1.07 -0.04 0.00 -1.54 0.00 0.00 55.06 54.55 2kpp s HIS 27 Cb 0.00 -3.58 -0.05 0.00 0.04 0.00 0.00 32.58 28.99 2kpp s HIS 27 CO 0.00 -1.98 0.30 -1.59 -2.34 0.00 0.00 174.74 169.13 2kpp s LYS 28 N 1.22 3.56 1.90 2.88 -2.85 -1.26 -4.28 119.74 120.92 2kpp s LYS 28 Ca 0.62 -0.17 0.00 0.00 -1.00 0.00 0.00 55.97 55.42 2kpp s LYS 28 Cb -0.34 -2.98 0.00 0.00 -2.06 0.00 0.00 37.83 32.46 2kpp s LYS 28 CO 0.29 0.57 0.00 0.41 0.10 0.00 0.00 175.35 176.72 2kpp n GLY 29 N 0.50 -1.08 3.21 0.59 0.00 -1.26 -4.81 105.19 102.34 2kpp n GLY 29 Ca -0.06 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.17 1.61 3.84 -1.26 -1.02 114.94 117.26 2kpp s ASN 30 Ca 0.00 -0.55 0.01 0.00 0.21 0.00 0.00 52.86 52.53 2kpp s ASN 30 Cb 0.00 -1.49 0.01 0.00 -0.55 0.00 0.00 41.25 39.22 2kpp s ASN 30 CO 0.00 0.09 -0.18 -0.70 -2.79 0.00 0.00 177.10 173.53 2kpp s GLU 31 N 0.75 3.10 -0.03 0.43 2.56 0.57 -4.94 118.70 121.14 2kpp s GLU 31 Ca -0.08 -0.79 0.08 0.00 0.00 0.00 0.00 54.97 54.18 2kpp s GLU 31 Cb -0.16 -2.60 -0.02 0.00 2.00 0.00 0.00 34.13 33.35 2kpp s GLU 31 CO 0.00 -0.11 -0.26 -0.65 -0.56 0.00 0.00 175.26 173.69 2kpp s GLN 32 N 1.08 2.17 -0.10 4.30 -0.21 -1.26 -0.08 119.66 125.57 2kpp s GLN 32 Ca -0.00 -0.92 -0.13 0.00 0.02 0.00 0.00 55.36 54.32 2kpp s GLN 32 Cb -0.14 -2.05 0.03 0.00 1.00 0.00 0.00 33.01 31.85 2kpp s GLN 32 CO -0.06 0.53 0.35 -0.59 -2.12 0.00 0.00 175.29 173.39 2kpp s PHE 33 N -0.54 -0.33 -0.40 0.91 -0.71 -0.93 -5.00 117.98 110.99 2kpp s PHE 33 Ca 0.08 0.75 -0.14 0.00 -1.04 0.00 0.00 56.93 56.58 2kpp s PHE 33 Cb -0.11 0.13 0.02 0.00 -1.21 0.00 0.00 43.02 41.85 2kpp s PHE 33 CO -0.00 -0.25 0.27 0.99 -1.34 0.00 0.00 175.22 174.88 2kpp s THR 34 N -0.28 5.02 -1.00 -4.49 2.01 -1.26 -1.09 115.64 114.54 2kpp s THR 34 Ca -0.04 -0.73 -0.23 0.00 0.31 0.00 0.00 61.69 60.99 2kpp s THR 34 Cb -0.03 -3.80 0.05 0.00 0.01 0.00 0.00 72.50 68.73 2kpp s THR 34 CO 0.02 -0.28 1.43 -0.63 -0.69 0.00 0.00 174.62 174.47 2kpp s ILE 35 N 1.63 3.91 0.04 1.82 1.01 0.12 -4.90 121.20 124.84 2kpp s ILE 35 Ca 0.04 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 2kpp s ILE 35 Cb -0.19 -5.05 -0.05 0.00 0.01 0.00 0.00 42.46 37.18 2kpp s ILE 35 CO 0.09 -1.93 1.24 -0.54 0.00 0.00 0.00 174.94 173.80 2kpp s LYS 36 N 5.01 4.39 0.00 2.79 1.02 -1.26 -0.73 119.74 130.96 2kpp s LYS 36 Ca 0.45 1.80 0.00 0.00 0.02 0.00 0.00 55.97 58.24 2kpp s LYS 36 Cb -0.01 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 2kpp s LYS 36 CO -0.08 -0.35 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2kpp n GLY 37 N 3.32 2.80 3.67 -3.33 0.00 0.20 -4.98 105.19 106.87 2kpp n GLY 37 Ca 0.10 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 2kpp n GLY 37 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kpp s LYS 38 N 4.42 4.26 4.88 1.61 2.20 -1.26 -4.81 119.74 131.05 2kpp s LYS 38 Ca 0.00 0.84 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2kpp s LYS 38 Cb 0.00 -3.58 0.00 0.00 -1.51 0.00 0.00 37.83 32.74 2kpp s LYS 38 CO 0.00 -0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.11 2kpp n GLY 39 N 3.61 0.73 0.27 5.54 0.00 -1.26 -3.18 105.19 110.89 2kpp n GLY 39 Ca 0.02 -0.78 0.09 0.00 0.00 0.00 0.00 46.02 45.35 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 8.78 2.56 -2.64 4.61 0.00 -1.26 -4.84 120.51 127.72 2kpp n ALA 40 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 2kpp n ALA 40 Cb 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 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 -1.89 4.16 0.04 0.00 -0.21 -1.19 -4.80 119.66 115.77 2kpp s GLN 41 Ca 0.28 1.02 -0.08 0.00 0.02 0.00 0.00 55.36 56.59 2kpp s GLN 41 Cb 0.14 -3.67 -0.00 0.00 1.00 0.00 0.00 33.01 30.48 2kpp s GLN 41 CO 0.22 -0.62 0.17 1.52 -2.12 0.00 0.00 175.29 174.46 2kpp s TYR 42 N 3.05 0.10 -0.30 0.91 1.13 -1.26 -0.62 117.35 120.36 2kpp s TYR 42 Ca 0.38 -0.36 -0.02 0.00 -1.41 0.00 0.00 57.07 55.67 2kpp s TYR 42 Cb -0.15 -0.06 0.05 0.00 -1.10 0.00 0.00 41.96 40.70 2kpp s TYR 42 CO 0.09 -0.42 -0.00 -0.80 -2.51 0.00 0.00 175.55 171.91 2kpp s ASN 43 N -2.14 4.88 -0.51 -0.18 -0.87 0.09 -2.10 114.94 114.11 2kpp s ASN 43 Ca -0.04 -1.27 -0.22 0.00 -1.57 0.00 0.00 52.86 49.76 2kpp s ASN 43 Cb -0.01 -1.71 0.04 0.00 -0.02 0.00 0.00 41.25 39.55 2kpp s ASN 43 CO -0.04 -0.26 0.79 -0.22 -2.57 0.00 0.00 177.10 174.80 2kpp s LEU 44 N 1.25 4.41 0.09 0.60 2.96 0.15 0.14 118.68 128.28 2kpp s LEU 44 Ca -0.05 -0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 53.33 2kpp s LEU 44 Cb -0.20 -2.74 -0.06 0.00 0.50 0.00 0.00 46.19 43.70 2kpp s LEU 44 CO -0.01 -1.02 0.37 -0.04 -1.32 0.00 0.00 176.35 174.33 2kpp s MET 45 N 3.33 3.68 -0.08 1.98 -1.94 -0.25 0.58 119.30 126.60 2kpp s MET 45 Ca 0.25 0.04 -0.01 0.00 -1.71 0.00 0.00 55.69 54.27 2kpp s MET 45 Cb -0.14 -2.95 0.03 0.00 2.01 0.00 0.00 34.83 33.77 2kpp s MET 45 CO 0.18 0.53 -0.03 -2.00 -0.01 0.00 0.00 175.02 173.69 2kpp s GLU 46 N -2.18 0.93 -0.29 2.03 2.12 0.23 -2.18 118.70 119.36 2kpp s GLU 46 Ca 0.35 -0.04 -0.06 0.00 0.36 0.00 0.00 54.97 55.59 2kpp s GLU 46 Cb -0.13 -1.15 0.01 0.00 0.26 0.00 0.00 34.13 33.13 2kpp s GLU 46 CO 0.20 -0.26 0.06 0.08 -0.54 0.00 0.00 175.26 174.81 2kpp s VAL 47 N 1.73 3.81 -0.41 3.70 1.01 0.89 -1.01 120.40 130.12 2kpp s VAL 47 Ca 0.03 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 2kpp s VAL 47 Cb -0.13 -2.98 0.09 0.00 0.00 0.00 0.00 36.38 33.36 2kpp s VAL 47 CO -0.05 0.07 0.23 -0.62 0.00 0.00 0.00 175.10 174.73 2kpp s ASP 48 N 1.47 5.50 1.27 3.32 2.15 0.12 -0.32 116.67 130.17 2kpp s ASP 48 Ca 0.02 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.37 2kpp s ASP 48 Cb -0.17 -1.93 0.00 0.00 -0.30 0.00 0.00 42.92 40.52 2kpp s ASP 48 CO 0.02 -0.53 0.00 0.61 -0.17 0.00 0.00 175.17 175.10 2kpp n GLY 49 N 4.82 0.91 0.62 2.66 0.00 -0.19 -2.10 105.19 111.91 2kpp n GLY 49 Ca -0.09 0.43 0.08 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 2.50 -4.15 1.61 1.02 -1.26 -4.25 120.64 116.11 2kpp n GLU 50 Ca 0.00 -2.64 -0.16 0.00 -0.02 0.00 0.00 57.16 54.33 2kpp n GLU 50 Cb 0.00 -1.66 -0.12 0.00 -0.02 0.00 0.00 31.44 29.64 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 -2.59 0.71 0.03 3.49 1.70 -0.89 -4.66 118.95 116.74 2kpp s ARG 51 Ca 0.36 -0.84 0.03 0.00 -0.47 0.00 0.00 55.73 54.81 2kpp s ARG 51 Cb 0.29 -0.63 -0.02 0.00 -0.57 0.00 0.00 34.95 34.02 2kpp s ARG 51 CO 0.08 0.14 -0.10 -1.50 -1.08 0.00 0.00 175.30 172.83 2kpp s ILE 52 N -1.25 0.76 0.22 4.99 2.07 0.16 0.10 121.20 128.27 2kpp s ILE 52 Ca -0.05 -0.86 -0.09 0.00 -1.41 0.00 0.00 60.65 58.24 2kpp s ILE 52 Cb -0.10 -0.73 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 2kpp s ILE 52 CO 0.01 -0.11 0.36 0.00 -1.91 0.00 0.00 174.94 173.29 2kpp s ARG 53 N -1.08 1.40 -0.48 3.50 1.70 -0.18 -0.67 118.95 123.14 2kpp s ARG 53 Ca -0.02 -1.34 -0.25 0.00 -0.47 0.00 0.00 55.73 53.65 2kpp s ARG 53 Cb -0.07 0.40 0.03 0.00 -0.57 0.00 0.00 34.95 34.74 2kpp s ARG 53 CO 0.01 -0.54 0.91 0.42 -1.08 0.00 0.00 175.30 175.01 2kpp s ILE 54 N -4.05 4.47 0.07 4.99 1.01 -1.26 -0.60 121.20 125.83 2kpp s ILE 54 Ca 0.26 0.58 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 2kpp s ILE 54 Cb 0.02 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 37.94 2kpp s ILE 54 CO 0.08 -0.90 1.45 0.50 0.00 0.00 0.00 174.94 176.08 2kpp h LYS 55 N 9.13 0.45 -3.31 2.79 3.64 -0.15 -3.45 116.57 125.66 2kpp h LYS 55 Ca -0.25 -0.18 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 2kpp h LYS 55 Cb 1.08 -0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.73 2kpp h LYS 55 CO 1.03 0.70 -0.13 -2.00 -2.27 0.00 0.00 179.45 176.78 2kpp s GLU 56 N -4.70 0.98 0.24 1.90 2.56 -0.83 -5.02 118.70 113.83 2kpp s GLU 56 Ca -0.14 -0.61 -0.22 0.00 0.00 0.00 0.00 54.97 54.01 2kpp s GLU 56 Cb 0.07 0.43 0.04 0.00 2.00 0.00 0.00 34.13 36.66 2kpp s GLU 56 CO 0.76 -0.36 0.72 0.34 -0.56 0.00 0.00 175.26 176.16 2kpp s ASP 57 N -2.49 -0.32 -0.51 -1.70 2.15 -1.26 0.30 116.67 112.84 2kpp s ASP 57 Ca -0.00 -0.45 0.07 0.00 0.43 0.00 0.00 52.55 52.59 2kpp s ASP 57 Cb 0.01 0.68 0.24 0.00 -0.30 0.00 0.00 42.92 43.55 2kpp s ASP 57 CO -0.08 -1.22 0.61 -3.20 -0.17 0.00 0.00 175.17 171.11 2kpp n ASN 58 N -0.44 1.79 -4.26 -0.34 2.85 -0.89 -4.96 115.26 109.01 2kpp n ASN 58 Ca -0.07 -3.02 -0.18 0.00 -0.11 0.00 0.00 54.58 51.20 2kpp n ASN 58 Cb 0.60 -0.65 -0.11 0.00 1.24 0.00 0.00 39.78 40.86 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2kpp s SER 59 N -1.70 2.08 0.32 1.20 1.04 -1.26 -4.42 113.70 110.96 2kpp s SER 59 Ca 0.37 -0.86 0.25 0.00 0.48 0.00 0.00 55.95 56.19 2kpp s SER 59 Cb 0.15 -0.07 0.70 0.00 0.10 0.00 0.00 66.02 66.90 2kpp s SER 59 CO -0.07 -0.16 1.73 1.55 0.98 0.00 0.00 173.24 177.26 2kpp h PRO 60 N 3.31 0.00 0.03 4.02 0.13 -2.01 -3.35 132.00 134.14 2kpp h PRO 60 Ca -0.39 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.43 2kpp h PRO 60 Cb 1.20 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2kpp h PRO 60 CO 0.53 0.00 -1.71 -0.40 -0.23 0.00 0.00 178.00 176.20 2kpp n ASP 61 N -2.62 1.94 -1.10 1.44 5.75 -1.26 -4.99 116.55 115.71 2kpp n ASP 61 Ca 0.04 0.33 -0.14 0.00 -0.01 0.00 0.00 54.79 55.01 2kpp n ASP 61 Cb 0.44 -0.89 -0.06 0.00 -1.03 0.00 0.00 41.12 39.57 2kpp n ASP 61 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kpp n GLN 62 N -4.12 -1.04 -0.15 0.11 1.13 -1.26 -4.90 117.38 107.15 2kpp n GLN 62 Ca -0.37 1.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.66 2kpp n GLN 62 Cb 0.82 -5.13 0.06 0.00 0.11 0.00 0.00 30.24 26.10 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 0.82 -0.88 5.09 2.07 -1.94 -0.47 116.25 120.94 2kpp h VAL 63 Ca -0.29 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.18 2kpp h VAL 63 Cb 0.96 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 2kpp h VAL 63 CO 0.43 0.06 0.57 1.23 0.02 0.00 0.00 177.57 179.88 2kpp h GLY 64 N 0.32 1.26 1.98 2.17 0.00 -1.91 -1.19 103.07 105.69 2kpp h GLY 64 Ca 0.23 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 2kpp h GLY 64 CO -0.25 0.31 -0.30 -2.08 0.00 0.00 0.00 176.54 174.22 2kpp h VAL 65 N 1.01 1.22 -0.01 4.60 2.07 -1.45 -2.73 116.25 120.96 2kpp h VAL 65 Ca 0.37 -1.06 -0.15 0.00 0.82 0.00 0.00 66.70 66.68 2kpp h VAL 65 Cb 0.17 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2kpp h VAL 65 CO -0.13 0.30 -0.71 0.11 0.02 0.00 0.00 177.57 177.16 2kpp h LYS 66 N 0.02 0.08 -0.23 1.57 6.56 -0.14 -3.33 116.57 121.11 2kpp h LYS 66 Ca 0.00 -0.07 0.05 0.00 -1.06 0.00 0.00 60.65 59.57 2kpp h LYS 66 Cb 0.54 0.02 -0.05 0.00 -0.57 0.00 0.00 32.23 32.17 2kpp h LYS 66 CO 0.04 0.76 -0.10 0.52 -2.06 0.00 0.00 179.45 178.60 2kpp h MET 67 N 0.05 -0.07 0.00 3.15 2.86 -1.06 -3.48 114.93 116.38 2kpp h MET 67 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2kpp h MET 67 Cb 1.25 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.93 2kpp h MET 67 CO 0.10 -0.04 0.00 0.41 1.06 0.00 0.00 176.91 178.43 2kpp n GLY 68 N -1.26 -0.20 3.66 8.32 0.00 -1.25 -4.86 105.19 109.59 2kpp n GLY 68 Ca -0.01 -1.42 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 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 3.34 0.13 1.61 0.52 -1.26 -4.34 118.94 118.94 2kpp s TRP 69 Ca 0.00 1.41 0.09 0.00 0.02 0.00 0.00 56.10 57.62 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 -0.45 -0.19 0.15 0.02 0.00 0.00 176.95 176.48 2kpp s LYS 70 N 3.07 1.75 0.00 4.98 -0.14 0.16 -4.92 119.74 124.63 2kpp s LYS 70 Ca 0.42 -1.22 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 2kpp s LYS 70 Cb -0.15 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 2kpp s LYS 70 CO 0.07 0.47 0.00 -1.13 -0.76 0.00 0.00 175.35 174.00 2kpp n SER 71 N 0.72 0.00 -4.20 2.83 3.41 -1.26 -0.66 113.62 114.46 2kpp n SER 71 Ca -0.15 -0.79 -0.14 0.00 -0.26 0.00 0.00 58.87 57.52 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 0.91 -0.16 4.33 -0.14 -1.26 -4.93 119.74 118.50 2kpp s LYS 72 Ca 0.00 -1.26 -0.29 0.00 -1.36 0.00 0.00 55.97 53.06 2kpp s LYS 72 Cb 0.00 -0.54 -0.06 0.00 -1.68 0.00 0.00 37.83 35.55 2kpp s LYS 72 CO 0.00 0.07 2.16 0.00 -0.76 0.00 0.00 175.35 176.82 2kpp n ALA 73 N 0.28 1.71 0.00 5.17 0.00 -1.26 -1.94 120.51 124.47 2kpp n ALA 73 Ca -0.14 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2kpp n ALA 73 Cb 0.59 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.19 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 5.47 1.19 3.69 0.00 0.00 0.08 -4.98 105.19 110.64 2kpp n GLY 74 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.66 6.81 0.03 1.61 1.01 -0.82 -4.86 116.67 119.79 2kpp s ASP 75 Ca 0.00 2.22 0.04 0.00 0.71 0.00 0.00 52.55 55.52 2kpp s ASP 75 Cb 0.00 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kpp s ASP 75 CO 0.00 -0.73 -0.12 0.42 0.21 0.00 0.00 175.17 174.95 2kpp s THR 76 N 2.16 0.90 -0.13 -1.27 -4.23 -1.26 -0.65 115.64 111.16 2kpp s THR 76 Ca 0.66 -0.88 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2kpp s THR 76 Cb -0.34 -0.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 2kpp s THR 76 CO 0.28 -0.03 -0.14 -0.63 -0.54 0.00 0.00 174.62 173.56 2kpp s ILE 77 N -0.81 2.96 -0.23 2.99 -1.09 0.61 -4.97 121.20 120.66 2kpp s ILE 77 Ca -0.00 -0.70 -0.03 0.00 -2.23 0.00 0.00 60.65 57.69 2kpp s ILE 77 Cb -0.07 -2.23 0.00 0.00 -1.58 0.00 0.00 42.46 38.58 2kpp s ILE 77 CO 0.01 0.53 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.51 2kpp s VAL 78 N 0.34 3.21 -0.63 2.92 1.01 -1.26 -0.81 120.40 125.18 2kpp s VAL 78 Ca -0.12 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2kpp s VAL 78 Cb -0.16 -2.50 0.16 0.00 0.00 0.00 0.00 36.38 33.88 2kpp s VAL 78 CO 0.06 0.36 0.43 0.00 0.00 0.00 0.00 175.10 175.95 2kpp h LEU 80 N 5.68 -1.14 0.00 0.00 3.38 -1.97 -1.89 115.31 119.36 2kpp h LEU 80 Ca 0.11 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2kpp h LEU 80 Cb 0.80 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2kpp h LEU 80 CO 0.66 -0.65 0.00 -0.81 0.09 0.00 0.00 178.44 177.73 2kpp n PRO 81 N -5.56 0.43 0.00 1.13 -0.04 -1.26 -1.45 135.00 128.25 2kpp n PRO 81 Ca -0.13 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.44 2kpp n PRO 81 Cb 0.45 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 2kpp n PRO 81 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2kpp n HIS 82 N -1.11 0.00 -2.37 0.54 8.25 -1.03 -4.87 115.22 114.63 2kpp n HIS 82 Ca 0.11 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.36 2kpp n HIS 82 Cb 0.09 0.00 -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 0.20 -1.69 -4.92 -0.41 5.02 -0.53 -4.76 118.16 111.08 2kpp n LYS 83 Ca 0.06 1.02 -0.33 0.00 -2.02 0.00 0.00 58.31 57.04 2kpp n LYS 83 Cb 0.27 -5.67 -0.14 0.00 -0.02 0.00 0.00 35.03 29.46 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 -3.03 2.84 -0.03 -0.18 1.01 -0.77 -1.19 120.40 119.06 2kpp s VAL 84 Ca 0.00 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2kpp s VAL 84 Cb 0.00 -2.14 0.02 0.00 0.00 0.00 0.00 36.38 34.26 2kpp s VAL 84 CO 0.00 0.56 -0.02 0.12 0.00 0.00 0.00 175.10 175.75 2kpp s PHE 85 N -0.08 0.45 -0.06 5.22 5.36 0.35 -0.83 117.98 128.40 2kpp s PHE 85 Ca -0.03 -0.07 0.05 0.00 -0.96 0.00 0.00 56.93 55.92 2kpp s PHE 85 Cb -0.14 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.07 2kpp s PHE 85 CO 0.04 -0.12 -0.22 0.08 -1.46 0.00 0.00 175.22 173.53 2kpp s VAL 86 N 0.78 2.33 -0.07 3.12 1.01 0.01 -0.73 120.40 126.85 2kpp s VAL 86 Ca -0.09 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2kpp s VAL 86 Cb -0.12 -1.87 0.02 0.00 0.00 0.00 0.00 36.38 34.42 2kpp s VAL 86 CO -0.01 0.57 -0.05 -1.83 0.00 0.00 0.00 175.10 173.79 2kpp s GLU 87 N -0.29 1.01 -0.31 2.72 -1.05 -0.15 -0.28 118.70 120.34 2kpp s GLU 87 Ca 0.01 -0.11 -0.21 0.00 -0.15 0.00 0.00 54.97 54.51 2kpp s GLU 87 Cb -0.13 -1.08 -0.01 0.00 -0.44 0.00 0.00 34.13 32.47 2kpp s GLU 87 CO 0.03 -0.16 0.66 0.42 0.95 0.00 0.00 175.26 177.15 2kpp s ILE 88 N 1.32 4.90 0.05 1.83 1.01 0.17 -0.70 121.20 129.79 2kpp s ILE 88 Ca -0.04 0.88 0.04 0.00 0.00 0.00 0.00 60.65 61.53 2kpp s ILE 88 Cb -0.14 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2kpp s ILE 88 CO -0.03 -0.19 -0.12 -1.59 0.00 0.00 0.00 174.94 173.02 2kpp s LYS 89 N 2.69 0.79 0.36 2.79 -2.85 -0.11 -0.74 119.74 122.67 2kpp s LYS 89 Ca 0.26 -0.79 -0.25 0.00 -1.00 0.00 0.00 55.97 54.20 2kpp s LYS 89 Cb -0.15 -0.76 -0.10 0.00 -2.06 0.00 0.00 37.83 34.77 2kpp s LYS 89 CO 0.12 0.18 0.98 0.45 0.10 0.00 0.00 175.35 177.18 2kpp s SER 90 N -1.35 7.11 0.00 0.03 0.15 -1.26 -0.36 113.70 118.03 2kpp s SER 90 Ca -0.02 1.88 0.27 0.00 0.70 0.00 0.00 55.95 58.79 2kpp s SER 90 Cb -0.09 -2.58 0.95 0.00 -1.71 0.00 0.00 66.02 62.59 2kpp s SER 90 CO 0.01 -0.24 1.70 0.35 1.20 0.00 0.00 173.24 176.27 2kpp n THR 91 N 0.21 0.00 -2.80 6.45 -2.24 0.42 -4.89 114.28 111.43 2kpp n THR 91 Ca 0.04 -0.04 -0.17 0.00 -2.27 0.00 0.00 64.05 61.61 2kpp n THR 91 Cb 0.50 0.01 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 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 -1.16 0.39 -1.93 -0.78 6.02 -1.26 -5.08 117.38 113.57 2kpp n GLN 92 Ca 0.10 -2.33 -0.32 0.00 -0.01 0.00 0.00 57.00 54.44 2kpp n GLN 92 Cb 0.32 -0.35 0.01 0.00 1.02 0.00 0.00 30.24 31.24 2kpp n GLN 92 CO 0.00 0.00 0.00 -1.59 -1.01 0.00 0.00 177.06 174.46 2kpp s LYS 93 N -4.30 3.39 -0.21 -1.09 0.00 -1.26 -5.08 119.74 111.19 2kpp s LYS 93 Ca 0.50 0.98 -0.31 0.00 0.00 0.00 0.00 55.97 57.14 2kpp s LYS 93 Cb -0.03 -2.05 0.15 0.00 0.00 0.00 0.00 37.83 35.90 2kpp s LYS 93 CO 0.33 -0.74 1.18 0.34 0.00 0.00 0.00 175.35 176.46 2kpp s ASP 94 N -3.45 -0.18 -1.25 0.03 2.15 -1.26 -5.07 116.67 107.64 2kpp s ASP 94 Ca 0.59 0.14 -0.16 0.00 0.43 0.00 0.00 52.55 53.54 2kpp s ASP 94 Cb -0.13 0.16 -0.02 0.00 -0.30 0.00 0.00 42.92 42.63 2kpp s ASP 94 CO 0.45 -0.21 2.14 -0.24 -0.17 0.00 0.00 175.17 177.14 2kpp n SER 95 N 0.37 3.47 -3.67 -0.34 2.88 -1.26 -4.78 113.62 110.29 2kpp n SER 95 Ca -0.03 -2.79 0.01 0.00 -1.33 0.00 0.00 58.87 54.72 2kpp n SER 95 Cb 0.58 -1.49 0.02 0.00 -0.75 0.00 0.00 64.21 62.57 2kpp n SER 95 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kpp n LYS 96 N 6.37 0.35 -4.19 -1.46 -0.00 -1.26 -5.16 118.16 112.80 2kpp n LYS 96 Ca 0.51 -1.03 -0.34 0.00 -0.00 0.00 0.00 58.31 57.46 2kpp n LYS 96 Cb 0.39 1.54 -0.11 0.00 -0.00 0.00 0.00 35.03 36.86 2kpp n LYS 96 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kpp s ASP 97 N -3.72 5.25 0.39 -5.58 1.01 -1.26 -5.02 116.67 107.74 2kpp s ASP 97 Ca 0.28 -0.01 0.05 0.00 0.71 0.00 0.00 52.55 53.58 2kpp s ASP 97 Cb -0.02 -1.87 0.77 0.00 1.01 0.00 0.00 42.92 42.81 2kpp s ASP 97 CO 0.02 0.18 2.03 -0.65 0.21 0.00 0.00 175.17 176.95 2kpp h PRO 98 N 6.65 0.63 -5.23 8.23 0.11 -1.97 -3.43 132.00 136.98 2kpp h PRO 98 Ca -0.35 -0.05 -0.45 0.00 0.11 0.00 0.00 66.00 65.27 2kpp h PRO 98 Cb 1.18 -0.14 -0.27 0.00 0.11 0.00 0.00 31.00 31.89 2kpp h PRO 98 CO 0.67 0.43 -0.80 -0.51 -0.21 0.00 0.00 178.00 177.58 2kpp s ASP 99 N -6.63 1.58 0.00 -2.05 1.11 -1.26 -5.06 116.67 104.37 2kpp s ASP 99 Ca -0.09 -0.36 0.13 0.00 0.18 0.00 0.00 52.55 52.41 2kpp s ASP 99 Cb 0.17 -0.13 0.00 0.00 1.07 0.00 0.00 42.92 44.03 2kpp s ASP 99 CO 0.74 0.09 0.73 1.07 1.18 0.00 0.00 175.17 178.98 2kpp n THR 100 N 2.29 0.00 -2.70 -1.27 5.66 -1.26 -5.01 114.28 111.99 2kpp n THR 100 Ca -0.16 -0.38 -0.38 0.00 -3.05 0.00 0.00 64.05 60.08 2kpp n THR 100 Cb 0.55 1.15 -0.06 0.00 -1.55 0.00 0.00 70.33 70.43 2kpp n THR 100 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2kpp s ASP 101 N -1.55 7.37 -0.43 1.09 -4.77 -1.26 -5.02 116.67 112.10 2kpp s ASP 101 Ca 0.11 1.96 -0.09 0.00 -3.30 0.00 0.00 52.55 51.22 2kpp s ASP 101 Cb 0.10 -2.60 0.08 0.00 -1.09 0.00 0.00 42.92 39.42 2kpp s ASP 101 CO 0.31 -0.05 0.28 -0.22 0.70 0.00 0.00 175.17 176.18 2kpp s LEU 102 N -1.74 5.25 -0.69 2.11 2.96 -1.26 -5.04 118.68 120.26 2kpp s LEU 102 Ca 0.47 -1.56 -0.23 0.00 -0.22 0.00 0.00 54.13 52.59 2kpp s LEU 102 Cb -0.23 -2.00 0.06 0.00 0.50 0.00 0.00 46.19 44.52 2kpp s LEU 102 CO 0.29 -0.56 1.05 -0.63 -1.32 0.00 0.00 176.35 175.18 2kpp s ILE 103 N 1.42 4.20 0.19 6.68 1.01 -1.26 -5.02 121.20 128.43 2kpp s ILE 103 Ca 0.03 -0.25 -0.32 0.00 0.00 0.00 0.00 60.65 60.12 2kpp s ILE 103 Cb -0.23 -4.75 -0.11 0.00 0.01 0.00 0.00 42.46 37.38 2kpp s ILE 103 CO 0.02 -1.56 1.65 -0.69 0.00 0.00 0.00 174.94 174.36 2kpp s VAL 104 N 4.40 2.30 0.27 2.92 1.01 -1.26 -4.93 120.40 125.10 2kpp s VAL 104 Ca 0.26 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.16 2kpp s VAL 104 Cb -0.14 -3.14 -0.14 0.00 0.00 0.00 0.00 36.38 32.96 2kpp s VAL 104 CO 0.10 0.02 1.14 -2.65 0.00 0.00 0.00 175.10 173.71 2kpp n PRO 105 N 3.89 1.54 -2.87 2.72 -0.02 -1.26 -3.48 135.00 135.52 2kpp n PRO 105 Ca 0.15 0.54 -0.07 0.00 -2.02 0.00 0.00 63.50 62.10 2kpp n PRO 105 Cb 0.37 -2.01 0.03 0.00 -0.02 0.00 0.00 33.50 31.87 2kpp n PRO 105 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kpp n ASN 106 N 1.46 -6.21 -3.88 2.55 4.13 -1.26 -5.03 115.26 107.03 2kpp n ASN 106 Ca 0.10 -0.36 -0.30 0.00 1.68 0.00 0.00 54.58 55.70 2kpp n ASN 106 Cb 0.31 -4.44 -0.14 0.00 -1.54 0.00 0.00 39.78 33.98 2kpp n ASN 106 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 2kpp s LEU 107 N -4.40 3.78 -1.21 3.41 0.20 -1.23 -5.06 118.68 114.17 2kpp s LEU 107 Ca 0.22 -2.76 -0.20 0.00 0.69 0.00 0.00 54.13 52.09 2kpp s LEU 107 Cb -0.03 -1.42 0.05 0.00 -0.43 0.00 0.00 46.19 44.36 2kpp s LEU 107 CO 0.61 -0.26 1.69 -1.61 -0.29 0.00 0.00 176.35 176.49 2kpp s GLU 108 N 0.10 3.73 -0.82 1.98 8.01 -1.26 -4.92 118.70 125.52 2kpp s GLU 108 Ca 0.16 -1.67 -0.19 0.00 0.01 0.00 0.00 54.97 53.28 2kpp s GLU 108 Cb -0.25 -5.46 0.12 0.00 -4.31 0.00 0.00 34.13 24.23 2kpp s GLU 108 CO -0.02 -2.42 1.02 -1.58 0.01 0.00 0.00 175.26 172.27 2kpp s HIS 109 N 5.14 3.03 0.00 1.61 2.46 -1.26 -4.81 115.29 121.46 2kpp s HIS 109 Ca 0.54 -1.17 0.00 0.00 0.47 0.00 0.00 55.06 54.90 2kpp s HIS 109 Cb 0.02 -4.23 0.00 0.00 -0.13 0.00 0.00 32.58 28.24 2kpp s HIS 109 CO 0.04 -1.48 0.00 0.72 -2.47 0.00 0.00 174.74 171.55 2kpp n HIS 110 N 6.68 0.00 -2.85 3.88 8.25 -1.26 -5.10 115.22 124.81 2kpp n HIS 110 Ca 0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.51 2kpp n HIS 110 Cb 0.47 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.59 2kpp n HIS 110 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kpp n HIS 111 N -0.45 -3.53 -4.00 4.41 8.25 -1.26 -5.05 115.22 113.59 2kpp n HIS 111 Ca 0.00 1.44 -0.31 0.00 -0.26 0.00 0.00 57.72 58.59 2kpp n HIS 111 Cb 0.00 -4.04 -0.16 0.00 1.12 0.00 0.00 29.99 26.91 2kpp n HIS 111 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kpp s HIS 112 N -2.49 2.45 -1.12 4.41 3.76 -1.26 -5.07 115.29 115.97 2kpp s HIS 112 Ca 0.23 -1.60 -0.22 0.00 -0.15 0.00 0.00 55.06 53.32 2kpp s HIS 112 Cb -0.06 -1.66 -0.04 0.00 1.11 0.00 0.00 32.58 31.93 2kpp s HIS 112 CO 0.77 -0.75 1.87 -1.01 -0.85 0.00 0.00 174.74 174.77 2kpp s HIS 113 N 1.39 2.09 0.00 1.40 3.76 -1.26 -5.34 115.29 117.33 2kpp s HIS 113 Ca -0.01 0.08 0.00 0.00 -0.15 0.00 0.00 55.06 54.98 2kpp s HIS 113 Cb -0.16 -4.18 0.00 0.00 1.11 0.00 0.00 32.58 29.35 2kpp s HIS 113 CO -0.08 -1.49 0.00 1.58 -0.85 0.00 0.00 174.74 173.90