#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpp s LYS 2 N 0.00 0.32 -0.63 0.03 -2.85 -1.26 -5.11 119.74 110.24 2kpp s LYS 2 Ca 0.00 -0.13 -0.22 0.00 -1.00 0.00 0.00 55.97 54.63 2kpp s LYS 2 Cb 0.00 0.14 0.07 0.00 -2.06 0.00 0.00 37.83 35.98 2kpp s LYS 2 CO 0.00 -0.14 0.89 1.21 0.10 0.00 0.00 175.35 177.41 2kpp s ASN 3 N -2.30 6.19 -0.68 0.03 3.84 -1.26 -5.01 114.94 115.76 2kpp s ASN 3 Ca 0.10 -1.03 -0.24 0.00 0.21 0.00 0.00 52.86 51.90 2kpp s ASN 3 Cb -0.00 -2.39 0.06 0.00 -0.55 0.00 0.00 41.25 38.37 2kpp s ASN 3 CO -0.04 -1.32 1.05 -0.89 -2.79 0.00 0.00 177.10 173.10 2kpp s THR 4 N 3.67 4.16 0.00 -5.21 2.01 -1.26 -4.70 115.64 114.31 2kpp s THR 4 Ca 0.20 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.04 2kpp s THR 4 Cb -0.18 -4.75 0.00 0.00 0.01 0.00 0.00 72.50 67.58 2kpp s THR 4 CO 0.10 -1.56 0.69 0.61 -0.69 0.00 0.00 174.62 173.76 2kpp n GLY 5 N 5.34 -0.43 2.45 4.40 0.00 -1.26 -4.87 105.19 110.83 2kpp n GLY 5 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.20 6.74 -4.59 1.61 9.92 -1.26 -5.00 116.55 123.78 2kpp n ASP 6 Ca 0.00 -3.79 -0.42 0.00 -0.53 0.00 0.00 54.79 50.05 2kpp n ASP 6 Cb 0.38 -0.81 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 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 -3.82 3.33 0.13 -1.24 2.02 -1.26 -4.78 118.70 113.08 2kpp s GLU 7 Ca 0.57 0.80 0.08 0.00 0.02 0.00 0.00 54.97 56.44 2kpp s GLU 7 Cb 0.46 -4.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 2kpp s GLU 7 CO -0.14 -1.88 -0.18 0.14 0.02 0.00 0.00 175.26 173.22 2kpp s VAL 8 N 6.32 1.65 0.04 2.63 -7.23 -1.26 -1.52 120.40 121.02 2kpp s VAL 8 Ca 0.62 -1.71 0.06 0.00 -1.81 0.00 0.00 61.98 59.14 2kpp s VAL 8 Cb -0.14 -1.64 -0.02 0.00 0.56 0.00 0.00 36.38 35.14 2kpp s VAL 8 CO 0.29 -0.23 -0.18 0.68 -0.31 0.00 0.00 175.10 175.34 2kpp s VAL 9 N -1.69 1.45 -0.39 1.32 -7.23 0.64 -1.61 120.40 112.89 2kpp s VAL 9 Ca 0.10 -1.08 -0.12 0.00 -1.81 0.00 0.00 61.98 59.06 2kpp s VAL 9 Cb -0.07 -1.27 0.03 0.00 0.56 0.00 0.00 36.38 35.62 2kpp s VAL 9 CO 0.05 0.16 0.25 0.00 -0.31 0.00 0.00 175.10 175.24 2kpp s ALA 10 N -0.77 3.35 -0.52 1.32 0.00 -0.24 -1.59 121.76 123.32 2kpp s ALA 10 Ca 0.05 -1.74 -0.19 0.00 0.00 0.00 0.00 51.96 50.09 2kpp s ALA 10 Cb -0.08 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.40 2kpp s ALA 10 CO 0.01 -1.43 0.61 0.42 0.00 0.00 0.00 175.76 175.37 2kpp s ILE 11 N 1.60 4.92 -0.45 0.00 -1.09 -0.29 -0.90 121.20 124.98 2kpp s ILE 11 Ca 0.03 -0.69 -0.23 0.00 -2.23 0.00 0.00 60.65 57.54 2kpp s ILE 11 Cb -0.19 -4.32 0.03 0.00 -1.58 0.00 0.00 42.46 36.40 2kpp s ILE 11 CO 0.08 -0.84 0.76 -0.63 -1.23 0.00 0.00 174.94 173.07 2kpp s ILE 12 N 2.49 4.68 -0.14 2.92 1.09 0.75 -0.55 121.20 132.44 2kpp s ILE 12 Ca 0.13 0.36 0.01 0.00 -1.10 0.00 0.00 60.65 60.04 2kpp s ILE 12 Cb -0.21 -4.30 -0.00 0.00 -1.06 0.00 0.00 42.46 36.88 2kpp s ILE 12 CO 0.10 -0.70 -0.17 -0.94 -0.10 0.00 0.00 174.94 173.12 2kpp s SER 13 N 2.13 3.57 0.07 3.58 1.04 0.00 -1.43 113.70 122.66 2kpp s SER 13 Ca 0.28 -0.47 0.09 0.00 0.48 0.00 0.00 55.95 56.34 2kpp s SER 13 Cb -0.13 -1.53 -0.03 0.00 0.10 0.00 0.00 66.02 64.43 2kpp s SER 13 CO 0.22 0.12 -0.25 -1.58 0.98 0.00 0.00 173.24 172.73 2kpp s GLN 14 N 0.61 1.73 0.00 4.02 0.74 0.11 -0.17 119.66 126.69 2kpp s GLN 14 Ca -0.10 -1.17 0.00 0.00 0.05 0.00 0.00 55.36 54.15 2kpp s GLN 14 Cb -0.16 -2.00 0.00 0.00 1.10 0.00 0.00 33.01 31.95 2kpp s GLN 14 CO 0.03 0.50 0.00 0.09 -0.55 0.00 0.00 175.29 175.36 2kpp n ASN 15 N 1.41 -3.59 0.00 6.67 3.02 -0.22 -1.58 115.26 120.98 2kpp n ASN 15 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2kpp n ASN 15 Cb 0.52 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.21 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 -0.63 0.40 3.30 7.41 0.00 -1.26 -5.02 105.19 109.39 2kpp n GLY 16 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.91 1.18 0.02 1.61 -2.85 -0.61 -5.08 119.74 113.10 2kpp s LYS 17 Ca 0.00 -1.25 -0.30 0.00 -1.00 0.00 0.00 55.97 53.42 2kpp s LYS 17 Cb 0.00 -1.38 -0.06 0.00 -2.06 0.00 0.00 37.83 34.33 2kpp s LYS 17 CO 0.00 0.31 1.40 0.08 0.10 0.00 0.00 175.35 177.24 2kpp s VAL 18 N -1.47 3.63 -0.05 1.79 1.01 -1.26 0.08 120.40 124.12 2kpp s VAL 18 Ca 0.10 1.05 0.08 0.00 0.00 0.00 0.00 61.98 63.21 2kpp s VAL 18 Cb -0.09 -3.68 -0.12 0.00 0.00 0.00 0.00 36.38 32.50 2kpp s VAL 18 CO 0.05 0.02 0.10 2.30 0.00 0.00 0.00 175.10 177.56 2kpp n ILE 19 N 4.52 0.33 -3.59 2.22 -5.35 -0.51 -4.87 119.36 112.10 2kpp n ILE 19 Ca 0.13 -0.29 -0.02 0.00 -0.27 0.00 0.00 62.75 62.30 2kpp n ILE 19 Cb 0.43 -0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 37.96 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 -2.38 0.49 -0.15 6.28 6.06 -0.83 -5.07 118.95 123.36 2kpp s ARG 20 Ca -0.04 1.02 0.01 0.00 -2.50 0.00 0.00 55.73 54.22 2kpp s ARG 20 Cb 0.04 0.38 0.02 0.00 0.06 0.00 0.00 34.95 35.45 2kpp s ARG 20 CO 0.35 -0.13 -0.16 -1.83 -2.50 0.00 0.00 175.30 171.03 2kpp s GLU 21 N 2.06 2.50 -0.27 5.12 -1.05 -1.26 -0.18 118.70 125.62 2kpp s GLU 21 Ca -0.07 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.12 2kpp s GLU 21 Cb -0.07 -2.23 0.05 0.00 -0.44 0.00 0.00 34.13 31.45 2kpp s GLU 21 CO -0.18 -0.21 -0.07 0.42 0.95 0.00 0.00 175.26 176.17 2kpp s ILE 22 N 1.38 2.52 -0.03 1.83 1.01 -0.08 -4.97 121.20 122.86 2kpp s ILE 22 Ca 0.04 -1.48 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 2kpp s ILE 22 Cb -0.13 -2.44 -0.08 0.00 0.01 0.00 0.00 42.46 39.82 2kpp s ILE 22 CO -0.10 -0.02 2.03 -2.65 0.00 0.00 0.00 174.94 174.19 2kpp n PRO 23 N 4.52 2.60 0.05 2.79 -0.02 -1.26 -1.08 135.00 142.61 2kpp n PRO 23 Ca -0.14 0.91 -0.09 0.00 -2.02 0.00 0.00 63.50 62.16 2kpp n PRO 23 Cb 0.43 -3.03 -0.06 0.00 -0.02 0.00 0.00 33.50 30.82 2kpp n PRO 23 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2kpp h LEU 24 N 11.53 -0.19 -9.63 2.45 3.38 -1.63 -3.42 115.31 117.79 2kpp h LEU 24 Ca -0.48 -0.28 -0.56 0.00 0.09 0.00 0.00 57.88 56.65 2kpp h LEU 24 Cb 1.24 0.05 0.08 0.00 0.09 0.00 0.00 40.66 42.12 2kpp h LEU 24 CO 0.95 0.37 0.75 0.41 0.09 0.00 0.00 178.44 181.01 2kpp n THR 25 N -4.91 0.71 0.00 0.22 -1.04 -1.16 -1.80 114.28 106.30 2kpp n THR 25 Ca -0.06 -0.18 0.00 0.00 -2.04 0.00 0.00 64.05 61.77 2kpp n THR 25 Cb 0.23 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 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 2.54 3.23 3.74 3.41 0.00 -1.26 -4.93 105.19 111.93 2kpp n GLY 26 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.98 3.56 0.06 1.61 5.04 -0.75 -5.05 115.29 116.78 2kpp s HIS 27 Ca 0.00 1.58 0.08 0.00 -1.54 0.00 0.00 55.06 55.17 2kpp s HIS 27 Cb 0.00 -3.31 -0.03 0.00 0.04 0.00 0.00 32.58 29.29 2kpp s HIS 27 CO 0.00 -0.72 -0.22 -1.59 -2.34 0.00 0.00 174.74 169.88 2kpp s LYS 28 N -0.47 1.38 1.39 2.88 -2.85 -1.26 -4.12 119.74 116.68 2kpp s LYS 28 Ca 0.49 -1.01 0.00 0.00 -1.00 0.00 0.00 55.97 54.45 2kpp s LYS 28 Cb -0.30 -1.54 0.00 0.00 -2.06 0.00 0.00 37.83 33.93 2kpp s LYS 28 CO 0.36 0.39 0.00 0.41 0.10 0.00 0.00 175.35 176.61 2kpp n GLY 29 N 1.66 -1.53 3.24 0.59 0.00 -1.26 -4.85 105.19 103.03 2kpp n GLY 29 Ca -0.18 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 43.99 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 3.27 -0.05 1.61 3.84 -1.26 -0.51 114.94 117.84 2kpp s ASN 30 Ca 0.00 -0.52 0.05 0.00 0.21 0.00 0.00 52.86 52.60 2kpp s ASN 30 Cb 0.00 -1.46 -0.01 0.00 -0.55 0.00 0.00 41.25 39.24 2kpp s ASN 30 CO 0.00 0.15 -0.20 -0.70 -2.79 0.00 0.00 177.10 173.55 2kpp s GLU 31 N 0.44 2.12 -0.04 0.43 2.56 0.55 -4.99 118.70 119.76 2kpp s GLU 31 Ca -0.15 -0.73 0.01 0.00 0.00 0.00 0.00 54.97 54.10 2kpp s GLU 31 Cb -0.17 -1.81 0.02 0.00 2.00 0.00 0.00 34.13 34.17 2kpp s GLU 31 CO 0.06 0.29 -0.04 -0.65 -0.56 0.00 0.00 175.26 174.36 2kpp s GLN 32 N -0.02 0.80 -0.01 4.30 -0.21 -1.26 0.29 119.66 123.54 2kpp s GLN 32 Ca -0.04 -0.10 0.01 0.00 0.02 0.00 0.00 55.36 55.25 2kpp s GLN 32 Cb -0.13 -0.82 0.01 0.00 1.00 0.00 0.00 33.01 33.08 2kpp s GLN 32 CO 0.03 -0.08 -0.01 -0.59 -2.12 0.00 0.00 175.29 172.52 2kpp s PHE 33 N 0.91 0.22 -0.33 0.91 -0.71 -0.18 -5.01 117.98 113.79 2kpp s PHE 33 Ca -0.11 -0.01 -0.10 0.00 -1.04 0.00 0.00 56.93 55.66 2kpp s PHE 33 Cb -0.14 -0.22 0.00 0.00 -1.21 0.00 0.00 43.02 41.45 2kpp s PHE 33 CO 0.00 -0.05 0.17 0.99 -1.34 0.00 0.00 175.22 175.00 2kpp s THR 34 N 0.35 4.63 0.21 -4.49 2.01 -1.26 -0.87 115.64 116.22 2kpp s THR 34 Ca -0.03 -0.52 -0.29 0.00 0.31 0.00 0.00 61.69 61.16 2kpp s THR 34 Cb -0.06 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.95 2kpp s THR 34 CO -0.01 -0.02 0.90 -0.63 -0.69 0.00 0.00 174.62 174.17 2kpp s ILE 35 N 1.60 4.19 -0.27 1.82 1.01 0.44 -4.88 121.20 125.10 2kpp s ILE 35 Ca 0.04 1.98 -0.01 0.00 0.00 0.00 0.00 60.65 62.66 2kpp s ILE 35 Cb -0.18 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.06 2kpp s ILE 35 CO 0.07 0.49 -0.04 -0.54 0.00 0.00 0.00 174.94 174.91 2kpp s LYS 36 N -1.06 2.57 0.00 2.79 1.02 -1.26 -0.44 119.74 123.36 2kpp s LYS 36 Ca 0.40 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2kpp s LYS 36 Cb -0.25 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2kpp s LYS 36 CO 0.30 -0.52 0.00 0.41 -0.92 0.00 0.00 175.35 174.62 2kpp n GLY 37 N 4.61 1.71 3.57 -3.33 0.00 -0.05 -4.95 105.19 106.75 2kpp n GLY 37 Ca -0.15 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 2kpp n GLY 37 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kpp s LYS 38 N 3.94 3.49 5.91 1.61 -2.85 -1.26 -4.74 119.74 125.85 2kpp s LYS 38 Ca 0.00 -1.30 0.00 0.00 -1.00 0.00 0.00 55.97 53.67 2kpp s LYS 38 Cb 0.00 -5.37 0.00 0.00 -2.06 0.00 0.00 37.83 30.40 2kpp s LYS 38 CO 0.00 -2.53 0.00 0.41 0.10 0.00 0.00 175.35 173.33 2kpp n GLY 39 N 6.32 1.88 0.00 0.59 0.00 -1.26 -3.57 105.19 109.16 2kpp n GLY 39 Ca 0.40 -0.64 0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 7.17 2.43 -1.42 4.61 0.00 -1.26 -4.47 120.51 127.56 2kpp n ALA 40 Ca 0.00 -0.15 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2kpp n ALA 40 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.05 2.80 -2.97 0.00 1.13 -1.23 -4.58 117.38 111.48 2kpp n GLN 41 Ca 0.18 -2.25 -0.21 0.00 -1.94 0.00 0.00 57.00 52.78 2kpp n GLN 41 Cb 0.11 -3.01 0.02 0.00 0.11 0.00 0.00 30.24 27.47 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 3.22 3.03 -0.16 1.08 1.13 -1.26 -0.87 117.35 123.51 2kpp s TYR 42 Ca 0.54 -0.01 -0.05 0.00 -1.41 0.00 0.00 57.07 56.15 2kpp s TYR 42 Cb 0.15 -2.40 0.06 0.00 -1.10 0.00 0.00 41.96 38.66 2kpp s TYR 42 CO -0.04 -0.47 0.10 -0.80 -2.51 0.00 0.00 175.55 171.83 2kpp s ASN 43 N -4.29 2.18 -0.62 -0.18 -0.87 0.42 -3.62 114.94 107.95 2kpp s ASN 43 Ca 0.51 -0.53 -0.24 0.00 -1.57 0.00 0.00 52.86 51.03 2kpp s ASN 43 Cb -0.10 -0.18 0.05 0.00 -0.02 0.00 0.00 41.25 41.00 2kpp s ASN 43 CO 0.36 -0.34 1.02 -0.22 -2.57 0.00 0.00 177.10 175.35 2kpp s LEU 44 N 2.16 4.02 -0.04 0.60 2.96 -0.50 -0.42 118.68 127.46 2kpp s LEU 44 Ca 0.03 -0.57 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 2kpp s LEU 44 Cb -0.16 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 2kpp s LEU 44 CO -0.09 -1.42 0.27 -0.04 -1.32 0.00 0.00 176.35 173.75 2kpp s MET 45 N 4.33 3.64 -0.06 1.98 -1.94 -0.05 -0.51 119.30 126.69 2kpp s MET 45 Ca 0.29 0.06 0.00 0.00 -1.71 0.00 0.00 55.69 54.33 2kpp s MET 45 Cb -0.13 -3.16 0.02 0.00 2.01 0.00 0.00 34.83 33.57 2kpp s MET 45 CO 0.16 0.71 -0.03 -2.00 -0.01 0.00 0.00 175.02 173.84 2kpp s GLU 46 N -1.28 0.85 -0.38 2.03 2.12 -0.79 -1.01 118.70 120.23 2kpp s GLU 46 Ca 0.22 -0.05 -0.14 0.00 0.36 0.00 0.00 54.97 55.36 2kpp s GLU 46 Cb -0.14 -0.98 0.01 0.00 0.26 0.00 0.00 34.13 33.28 2kpp s GLU 46 CO 0.11 -0.18 0.27 0.08 -0.54 0.00 0.00 175.26 175.00 2kpp s VAL 47 N 1.37 5.22 -0.40 3.70 1.01 0.14 -2.27 120.40 129.18 2kpp s VAL 47 Ca -0.04 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2kpp s VAL 47 Cb -0.13 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.49 2kpp s VAL 47 CO -0.03 -0.20 0.21 -0.62 0.00 0.00 0.00 175.10 174.46 2kpp s ASP 48 N 1.68 5.52 1.12 3.32 2.15 0.74 -0.33 116.67 130.88 2kpp s ASP 48 Ca 0.05 -1.46 0.00 0.00 0.43 0.00 0.00 52.55 51.58 2kpp s ASP 48 Cb -0.18 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2kpp s ASP 48 CO 0.10 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.23 2kpp n GLY 49 N 4.86 1.13 0.64 2.66 0.00 0.33 -2.54 105.19 112.26 2kpp n GLY 49 Ca -0.10 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.29 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 1.22 -4.14 1.61 1.02 -1.26 -4.24 120.64 114.85 2kpp n GLU 50 Ca 0.00 -2.87 -0.13 0.00 -0.02 0.00 0.00 57.16 54.14 2kpp n GLU 50 Cb 0.00 -1.30 -0.11 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.53 0.74 -0.02 3.49 1.70 -1.05 -4.54 118.95 116.73 2kpp s ARG 51 Ca 0.35 -1.06 -0.03 0.00 -0.47 0.00 0.00 55.73 54.52 2kpp s ARG 51 Cb 0.34 -0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.34 2kpp s ARG 51 CO -0.06 0.05 0.07 -1.50 -1.08 0.00 0.00 175.30 172.78 2kpp s ILE 52 N -2.33 0.03 0.24 4.99 2.07 -0.33 -0.18 121.20 125.70 2kpp s ILE 52 Ca 0.01 -0.27 -0.22 0.00 -1.41 0.00 0.00 60.65 58.77 2kpp s ILE 52 Cb -0.04 -0.20 0.03 0.00 0.13 0.00 0.00 42.46 42.39 2kpp s ILE 52 CO -0.01 -0.15 0.74 0.00 -1.91 0.00 0.00 174.94 173.61 2kpp s ARG 53 N -0.44 1.63 -0.06 3.50 1.04 -0.96 -1.73 118.95 121.92 2kpp s ARG 53 Ca -0.05 -0.87 -0.30 0.00 -1.04 0.00 0.00 55.73 53.47 2kpp s ARG 53 Cb -0.03 0.58 -0.05 0.00 -2.04 0.00 0.00 34.95 33.40 2kpp s ARG 53 CO 0.00 -0.74 1.53 0.42 -0.04 0.00 0.00 175.30 176.47 2kpp s ILE 54 N -3.80 3.70 -0.04 4.99 1.01 -1.26 -1.89 121.20 123.92 2kpp s ILE 54 Ca 0.10 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 61.50 2kpp s ILE 54 Cb -0.05 -3.59 -0.32 0.00 0.01 0.00 0.00 42.46 38.51 2kpp s ILE 54 CO 0.04 -0.06 0.81 0.50 0.00 0.00 0.00 174.94 176.23 2kpp h LYS 55 N 8.89 0.37 -1.69 2.79 3.64 -1.14 -3.35 116.57 126.08 2kpp h LYS 55 Ca -0.37 -0.64 0.04 0.00 -1.27 0.00 0.00 60.65 58.42 2kpp h LYS 55 Cb 1.17 0.24 -0.25 0.00 -0.41 0.00 0.00 32.23 32.97 2kpp h LYS 55 CO 0.95 1.31 0.37 -2.00 -2.27 0.00 0.00 179.45 177.80 2kpp s GLU 56 N -2.51 0.57 0.08 1.90 2.56 -1.22 -5.01 118.70 115.07 2kpp s GLU 56 Ca -0.14 0.71 -0.27 0.00 0.00 0.00 0.00 54.97 55.27 2kpp s GLU 56 Cb 0.03 0.26 0.09 0.00 2.00 0.00 0.00 34.13 36.51 2kpp s GLU 56 CO 0.85 -0.07 1.06 0.16 -0.56 0.00 0.00 175.26 176.70 2kpp s ASP 57 N 0.41 -0.16 -0.66 -1.70 -4.77 -1.26 -1.41 116.67 107.12 2kpp s ASP 57 Ca 0.01 -0.28 -0.02 0.00 -3.30 0.00 0.00 52.55 48.96 2kpp s ASP 57 Cb -0.05 0.37 0.32 0.00 -1.09 0.00 0.00 42.92 42.48 2kpp s ASP 57 CO -0.06 -0.68 2.15 0.59 0.70 0.00 0.00 175.17 177.86 2kpp n ASN 58 N -0.44 7.30 -4.64 2.11 3.02 -1.24 -4.93 115.26 116.45 2kpp n ASN 58 Ca -0.07 -3.62 -0.38 0.00 -0.03 0.00 0.00 54.58 50.48 2kpp n ASN 58 Cb 0.61 -1.06 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2kpp s SER 59 N -0.96 6.20 0.55 6.41 0.15 -1.26 -4.88 113.70 119.92 2kpp s SER 59 Ca 0.55 0.22 0.23 0.00 0.70 0.00 0.00 55.95 57.65 2kpp s SER 59 Cb 0.43 -2.16 1.54 0.00 -1.71 0.00 0.00 66.02 64.12 2kpp s SER 59 CO -0.19 -0.05 2.19 1.55 1.20 0.00 0.00 173.24 177.94 2kpp h PRO 60 N 7.80 0.00 0.06 5.44 0.13 -2.00 -1.34 132.00 142.09 2kpp h PRO 60 Ca -0.35 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.54 2kpp h PRO 60 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2kpp h PRO 60 CO 0.65 0.02 -1.07 -0.44 -0.23 0.00 0.00 178.00 176.92 2kpp h ASP 61 N 0.00 0.38 -5.19 1.44 5.19 -1.99 -3.48 116.42 112.77 2kpp h ASP 61 Ca -0.00 -0.36 -0.40 0.00 -0.62 0.00 0.00 57.03 55.65 2kpp h ASP 61 Cb 0.04 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2kpp h ASP 61 CO 0.00 1.22 -0.61 0.00 -3.12 0.00 0.00 179.24 176.73 2kpp n GLN 62 N -3.60 -4.52 -0.01 3.56 1.13 -0.51 -4.90 117.38 108.53 2kpp n GLN 62 Ca -0.06 0.68 -0.09 0.00 -1.94 0.00 0.00 57.00 55.59 2kpp n GLN 62 Cb 0.92 -5.50 -0.03 0.00 0.11 0.00 0.00 30.24 25.75 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 -1.38 0.51 -0.68 5.09 2.07 -1.87 -1.33 116.25 118.66 2kpp h VAL 63 Ca -0.50 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 66.96 2kpp h VAL 63 Cb 1.34 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 2kpp h VAL 63 CO 0.57 0.00 0.20 1.23 0.02 0.00 0.00 177.57 179.59 2kpp h GLY 64 N -0.23 1.15 1.06 2.17 0.00 -1.90 0.42 103.07 105.73 2kpp h GLY 64 Ca 0.11 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.74 2kpp h GLY 64 CO -0.29 0.65 0.57 -2.08 0.00 0.00 0.00 176.54 175.39 2kpp h VAL 65 N 1.00 1.25 0.00 4.60 2.07 -1.63 -1.47 116.25 122.08 2kpp h VAL 65 Ca 0.22 -0.53 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 2kpp h VAL 65 Cb 0.32 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 2kpp h VAL 65 CO -0.00 0.26 -0.64 0.11 0.02 0.00 0.00 177.57 177.32 2kpp h LYS 66 N 1.27 0.00 -0.41 1.57 1.57 -0.75 -3.24 116.57 116.58 2kpp h LYS 66 Ca 0.33 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.01 2kpp h LYS 66 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2kpp h LYS 66 CO -0.06 0.64 -0.17 0.52 -0.57 0.00 0.00 179.45 179.81 2kpp h MET 67 N 0.00 0.78 0.00 3.15 2.86 0.54 -3.50 114.93 118.77 2kpp h MET 67 Ca -0.01 -0.29 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2kpp h MET 67 Cb 1.27 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.88 2kpp h MET 67 CO 0.08 0.90 0.00 0.41 1.06 0.00 0.00 176.91 179.36 2kpp n GLY 68 N -0.33 -2.21 3.66 8.32 0.00 -0.62 -4.84 105.19 109.17 2kpp n GLY 68 Ca 0.01 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 2kpp n GLY 68 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2kpp n TRP 69 N -0.42 2.51 -4.66 1.61 7.02 -1.26 -4.65 117.44 117.59 2kpp n TRP 69 Ca 0.00 -0.37 -0.33 0.00 -1.02 0.00 0.00 57.50 55.78 2kpp n TRP 69 Cb 0.00 -2.80 -0.15 0.00 -2.42 0.00 0.00 31.31 25.94 2kpp n TRP 69 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2kpp s LYS 70 N 4.45 3.26 0.00 -0.99 -0.14 -0.71 -4.92 119.74 120.70 2kpp s LYS 70 Ca 0.89 -0.74 0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2kpp s LYS 70 Cb -0.45 -2.61 0.00 0.00 -1.68 0.00 0.00 37.83 33.10 2kpp s LYS 70 CO 0.43 0.09 0.84 -1.13 -0.76 0.00 0.00 175.35 174.81 2kpp n SER 71 N 3.85 0.00 -4.48 2.83 3.41 -1.26 -1.19 113.62 116.79 2kpp n SER 71 Ca -0.19 -1.70 -0.33 0.00 -0.26 0.00 0.00 58.87 56.39 2kpp n SER 71 Cb 0.52 -0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.21 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 3.57 -0.37 4.33 -0.14 -1.26 -4.89 119.74 120.98 2kpp s LYS 72 Ca 0.00 -0.56 -0.28 0.00 -1.36 0.00 0.00 55.97 53.78 2kpp s LYS 72 Cb 0.00 -2.84 -0.04 0.00 -1.68 0.00 0.00 37.83 33.28 2kpp s LYS 72 CO 0.00 0.26 2.04 0.00 -0.76 0.00 0.00 175.35 176.89 2kpp s ALA 73 N 0.29 2.50 0.00 5.17 0.00 -1.26 -2.65 121.76 125.82 2kpp s ALA 73 Ca -0.05 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.15 2kpp s ALA 73 Cb -0.14 -4.13 0.00 0.00 0.00 0.00 0.00 23.12 18.84 2kpp s ALA 73 CO 0.04 -3.19 0.00 0.41 0.00 0.00 0.00 175.76 173.02 2kpp n GLY 74 N 5.67 3.61 3.72 0.00 0.00 -0.21 -4.88 105.19 113.09 2kpp n GLY 74 Ca 0.27 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 7.07 0.16 1.61 1.01 -1.08 -4.90 116.67 120.53 2kpp s ASP 75 Ca 0.00 2.09 0.11 0.00 0.71 0.00 0.00 52.55 55.46 2kpp s ASP 75 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2kpp s ASP 75 CO 0.00 -0.45 -0.25 0.42 0.21 0.00 0.00 175.17 175.10 2kpp s THR 76 N 0.78 2.21 -0.30 -1.27 -4.23 -1.26 -3.32 115.64 108.26 2kpp s THR 76 Ca 0.58 -1.87 -0.02 0.00 -1.18 0.00 0.00 61.69 59.20 2kpp s THR 76 Cb -0.31 -2.00 0.05 0.00 1.34 0.00 0.00 72.50 71.58 2kpp s THR 76 CO 0.31 -0.04 0.00 -0.63 -0.54 0.00 0.00 174.62 173.72 2kpp s ILE 77 N -1.40 3.05 -0.28 2.99 -1.09 -0.23 -4.98 121.20 119.26 2kpp s ILE 77 Ca 0.16 -1.33 -0.07 0.00 -2.23 0.00 0.00 60.65 57.18 2kpp s ILE 77 Cb -0.09 -2.74 -0.00 0.00 -1.58 0.00 0.00 42.46 38.05 2kpp s ILE 77 CO 0.07 -0.09 0.08 -0.69 -1.23 0.00 0.00 174.94 173.09 2kpp s VAL 78 N 1.27 4.13 -0.65 2.92 1.01 -1.26 -0.66 120.40 127.15 2kpp s VAL 78 Ca -0.05 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2kpp s VAL 78 Cb -0.19 -3.06 0.20 0.00 0.00 0.00 0.00 36.38 33.32 2kpp s VAL 78 CO -0.01 0.17 0.57 0.00 0.00 0.00 0.00 175.10 175.83 2kpp h LEU 80 N 4.95 0.27 -2.10 0.00 3.38 -1.93 0.07 115.31 119.94 2kpp h LEU 80 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2kpp h LEU 80 Cb 0.74 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2kpp h LEU 80 CO 0.72 0.19 0.21 -0.65 0.09 0.00 0.00 178.44 179.00 2kpp h PRO 81 N 0.40 0.00 -0.01 1.13 0.11 -1.95 0.31 132.00 131.99 2kpp h PRO 81 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2kpp h PRO 81 Cb 0.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.24 2kpp h PRO 81 CO -0.15 0.00 -0.01 0.72 -0.21 0.00 0.00 178.00 178.35 2kpp n HIS 82 N -2.79 0.00 -1.28 0.65 8.25 -0.53 -4.90 115.22 114.62 2kpp n HIS 82 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2kpp n HIS 82 Cb 0.26 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.32 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 0.47 -1.39 -3.54 -0.41 5.02 0.10 -4.78 118.16 113.63 2kpp n LYS 83 Ca 0.05 0.80 -0.37 0.00 -2.02 0.00 0.00 58.31 56.77 2kpp n LYS 83 Cb 0.22 -5.02 -0.08 0.00 -0.02 0.00 0.00 35.03 30.12 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 -2.00 5.30 -0.18 -0.18 1.01 -0.59 -1.05 120.40 122.71 2kpp s VAL 84 Ca 0.00 0.46 -0.01 0.00 0.00 0.00 0.00 61.98 62.43 2kpp s VAL 84 Cb 0.00 -3.61 0.05 0.00 0.00 0.00 0.00 36.38 32.82 2kpp s VAL 84 CO 0.00 0.34 -0.02 0.12 0.00 0.00 0.00 175.10 175.53 2kpp s PHE 85 N 0.90 1.54 -0.31 5.22 5.36 0.76 -0.20 117.98 131.24 2kpp s PHE 85 Ca 0.14 -1.06 -0.12 0.00 -0.96 0.00 0.00 56.93 54.94 2kpp s PHE 85 Cb -0.13 -1.23 -0.03 0.00 -0.34 0.00 0.00 43.02 41.28 2kpp s PHE 85 CO 0.05 -0.62 0.21 0.08 -1.46 0.00 0.00 175.22 173.48 2kpp s VAL 86 N 1.69 5.17 -0.37 3.12 1.01 0.16 -0.82 120.40 130.36 2kpp s VAL 86 Ca -0.01 -0.12 -0.09 0.00 0.00 0.00 0.00 61.98 61.77 2kpp s VAL 86 Cb -0.16 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.68 2kpp s VAL 86 CO -0.07 0.09 0.19 -0.70 0.00 0.00 0.00 175.10 174.61 2kpp s GLU 87 N 1.72 2.69 -0.24 2.72 2.12 0.29 -1.07 118.70 126.92 2kpp s GLU 87 Ca 0.06 -1.22 -0.18 0.00 0.36 0.00 0.00 54.97 53.99 2kpp s GLU 87 Cb -0.17 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2kpp s GLU 87 CO 0.10 -0.76 0.53 0.42 -0.54 0.00 0.00 175.26 175.01 2kpp s ILE 88 N 1.47 5.07 0.04 -3.70 1.01 -1.21 -1.14 121.20 122.74 2kpp s ILE 88 Ca 0.01 0.92 0.00 0.00 0.00 0.00 0.00 60.65 61.58 2kpp s ILE 88 Cb -0.20 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.39 2kpp s ILE 88 CO 0.04 0.10 -0.04 -1.59 0.00 0.00 0.00 174.94 173.45 2kpp s LYS 89 N 2.16 0.53 0.14 2.79 -2.85 -0.62 -1.05 119.74 120.84 2kpp s LYS 89 Ca 0.22 -0.98 -0.04 0.00 -1.00 0.00 0.00 55.97 54.18 2kpp s LYS 89 Cb -0.16 0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.63 2kpp s LYS 89 CO 0.09 -0.06 0.36 0.45 0.10 0.00 0.00 175.35 176.29 2kpp s SER 90 N -2.29 6.47 0.00 0.03 0.15 -1.26 -0.26 113.70 116.54 2kpp s SER 90 Ca -0.02 0.55 0.24 0.00 0.70 0.00 0.00 55.95 57.42 2kpp s SER 90 Cb -0.00 -2.08 0.99 0.00 -1.71 0.00 0.00 66.02 63.22 2kpp s SER 90 CO -0.05 0.06 1.69 0.35 1.20 0.00 0.00 173.24 176.49 2kpp n THR 91 N 0.08 0.10 -1.67 6.45 -2.24 -0.58 -4.92 114.28 111.50 2kpp n THR 91 Ca -0.03 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 2kpp n THR 91 Cb 0.52 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 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 0.01 0.85 -2.40 -0.78 1.13 -1.26 -4.98 117.38 109.95 2kpp n GLN 92 Ca 0.17 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.82 2kpp n GLN 92 Cb 0.28 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.61 2kpp n GLN 92 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 2kpp s LYS 93 N -1.50 3.28 0.24 -1.09 -0.14 -1.26 -4.99 119.74 114.28 2kpp s LYS 93 Ca 0.00 0.40 0.08 0.00 -1.36 0.00 0.00 55.97 55.10 2kpp s LYS 93 Cb 0.00 -4.13 -0.05 0.00 -1.68 0.00 0.00 37.83 31.97 2kpp s LYS 93 CO 0.00 -1.97 -0.13 0.34 -0.76 0.00 0.00 175.35 172.83 2kpp s ASP 94 N 4.45 2.87 -0.03 2.83 -1.08 -1.26 -5.07 116.67 119.37 2kpp s ASP 94 Ca 0.51 -1.07 0.05 0.00 -0.52 0.00 0.00 52.55 51.52 2kpp s ASP 94 Cb -0.10 -0.18 0.07 0.00 -1.46 0.00 0.00 42.92 41.24 2kpp s ASP 94 CO 0.24 -0.17 0.92 -0.24 0.52 0.00 0.00 175.17 176.43 2kpp n SER 95 N -0.49 1.22 -4.75 -0.34 2.88 -1.26 -5.06 113.62 105.82 2kpp n SER 95 Ca -0.07 -2.03 -0.41 0.00 -1.33 0.00 0.00 58.87 55.04 2kpp n SER 95 Cb 0.61 -0.15 -0.03 0.00 -0.75 0.00 0.00 64.21 63.89 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 -1.04 4.51 1.02 -1.46 -0.14 -1.26 -5.04 119.74 116.33 2kpp s LYS 96 Ca 0.08 1.93 -0.11 0.00 -1.36 0.00 0.00 55.97 56.51 2kpp s LYS 96 Cb 0.07 -3.19 0.20 0.00 -1.68 0.00 0.00 37.83 33.23 2kpp s LYS 96 CO 0.01 -0.01 1.09 -0.51 -0.76 0.00 0.00 175.35 175.16 2kpp s ASP 97 N -0.32 2.20 0.00 2.83 1.11 -1.26 -4.87 116.67 116.36 2kpp s ASP 97 Ca 0.49 1.78 0.00 0.00 0.18 0.00 0.00 52.55 55.00 2kpp s ASP 97 Cb -0.34 -2.39 0.00 0.00 1.07 0.00 0.00 42.92 41.26 2kpp s ASP 97 CO 0.41 -3.48 0.52 -0.81 1.18 0.00 0.00 175.17 172.99 2kpp n PRO 98 N -4.46 0.60 -2.48 8.23 -0.04 -1.26 -4.82 135.00 130.77 2kpp n PRO 98 Ca 0.07 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.10 2kpp n PRO 98 Cb 0.54 -1.23 -0.02 0.00 -0.04 0.00 0.00 33.50 32.75 2kpp n PRO 98 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2kpp s ASP 99 N 0.62 6.53 -0.38 3.54 -4.77 -1.26 -4.94 116.67 116.01 2kpp s ASP 99 Ca 0.00 0.71 0.02 0.00 -3.30 0.00 0.00 52.55 49.98 2kpp s ASP 99 Cb 0.00 -2.54 0.15 0.00 -1.09 0.00 0.00 42.92 39.44 2kpp s ASP 99 CO 0.00 -1.29 0.32 0.28 0.70 0.00 0.00 175.17 175.18 2kpp s THR 100 N 4.81 -0.05 -0.17 2.11 -1.32 -1.26 -5.13 115.64 114.64 2kpp s THR 100 Ca 0.54 -1.62 -0.16 0.00 -1.21 0.00 0.00 61.69 59.24 2kpp s THR 100 Cb -0.11 -0.92 -0.04 0.00 -1.51 0.00 0.00 72.50 69.92 2kpp s THR 100 CO 0.31 -0.85 0.39 -1.81 -2.21 0.00 0.00 174.62 170.44 2kpp s ASP 101 N 0.96 6.50 0.13 8.08 1.11 -1.26 -5.07 116.67 127.12 2kpp s ASP 101 Ca 0.22 0.59 -0.08 0.00 0.18 0.00 0.00 52.55 53.46 2kpp s ASP 101 Cb -0.13 -2.23 -0.01 0.00 1.07 0.00 0.00 42.92 41.62 2kpp s ASP 101 CO -0.05 0.00 0.23 -1.48 1.18 0.00 0.00 175.17 175.05 2kpp s LEU 102 N 0.86 1.21 -0.36 1.23 2.34 -1.26 -5.14 118.68 117.56 2kpp s LEU 102 Ca 0.20 -0.80 0.02 0.00 0.06 0.00 0.00 54.13 53.61 2kpp s LEU 102 Cb -0.14 1.07 0.10 0.00 -0.56 0.00 0.00 46.19 46.66 2kpp s LEU 102 CO 0.07 -0.81 0.09 -0.63 -1.06 0.00 0.00 176.35 174.01 2kpp s ILE 103 N -3.93 2.55 -0.53 1.48 1.01 -1.26 -5.06 121.20 115.46 2kpp s ILE 103 Ca 0.12 -2.28 -0.14 0.00 0.00 0.00 0.00 60.65 58.35 2kpp s ILE 103 Cb 0.04 -2.84 0.13 0.00 0.01 0.00 0.00 42.46 39.80 2kpp s ILE 103 CO -0.05 -0.63 0.46 0.68 0.00 0.00 0.00 174.94 175.41 2kpp s VAL 104 N 0.95 4.95 0.61 2.92 -7.23 -1.26 -4.99 120.40 116.35 2kpp s VAL 104 Ca 0.10 -1.60 -0.17 0.00 -1.81 0.00 0.00 61.98 58.51 2kpp s VAL 104 Cb -0.20 -4.19 -0.03 0.00 0.56 0.00 0.00 36.38 32.52 2kpp s VAL 104 CO -0.07 -0.85 1.10 -2.16 -0.31 0.00 0.00 175.10 172.81 2kpp s PRO 105 N 1.50 3.10 -0.48 4.82 0.04 -1.26 -5.01 135.00 137.71 2kpp s PRO 105 Ca 0.04 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.30 2kpp s PRO 105 Cb -0.29 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.31 2kpp s PRO 105 CO 0.02 -1.02 0.62 -0.80 0.04 0.00 0.00 177.00 175.86 2kpp s ASN 106 N -2.37 6.24 0.56 6.66 0.01 -1.26 -5.05 114.94 119.74 2kpp s ASN 106 Ca 0.68 -0.75 0.02 0.00 -0.71 0.00 0.00 52.86 52.10 2kpp s ASN 106 Cb -0.20 -2.29 0.09 0.00 0.41 0.00 0.00 41.25 39.26 2kpp s ASN 106 CO 0.36 -0.84 0.68 0.18 -1.51 0.00 0.00 177.10 175.96 2kpp n LEU 107 N 6.16 0.00 -4.73 0.60 7.99 -1.26 -5.04 117.00 120.71 2kpp n LEU 107 Ca -0.05 -1.64 -0.42 0.00 -0.01 0.00 0.00 56.01 53.89 2kpp n LEU 107 Cb 0.46 -0.41 -0.02 0.00 -0.11 0.00 0.00 43.42 43.33 2kpp n LEU 107 CO 0.53 -0.78 1.26 -0.70 -1.51 0.00 0.00 177.39 176.19 2kpp s GLU 108 N -4.21 4.16 -1.29 3.23 2.12 -1.26 -4.89 118.70 116.56 2kpp s GLU 108 Ca 0.47 2.51 -0.12 0.00 0.36 0.00 0.00 54.97 58.18 2kpp s GLU 108 Cb -0.03 -3.07 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2kpp s GLU 108 CO 0.31 -0.63 2.40 -2.39 -0.54 0.00 0.00 175.26 174.40 2kpp n HIS 109 N 3.05 2.47 -3.07 5.30 1.44 -1.26 -4.89 115.22 118.26 2kpp n HIS 109 Ca 0.11 -2.63 -0.45 0.00 -2.01 0.00 0.00 57.72 52.75 2kpp n HIS 109 Cb 0.37 -2.22 -0.03 0.00 0.12 0.00 0.00 29.99 28.23 2kpp n HIS 109 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kpp s HIS 110 N 3.21 3.25 -0.17 -1.40 2.46 -1.26 -5.02 115.29 116.36 2kpp s HIS 110 Ca 0.55 -1.43 -0.06 0.00 0.47 0.00 0.00 55.06 54.59 2kpp s HIS 110 Cb 0.15 -4.10 -0.04 0.00 -0.13 0.00 0.00 32.58 28.46 2kpp s HIS 110 CO -0.03 -1.32 0.03 -1.58 -2.47 0.00 0.00 174.74 169.37 2kpp s HIS 111 N 2.05 3.19 0.39 3.88 2.46 -1.26 -4.68 115.29 121.32 2kpp s HIS 111 Ca 0.24 -0.02 -0.24 0.00 0.47 0.00 0.00 55.06 55.50 2kpp s HIS 111 Cb -0.11 -2.03 -0.09 0.00 -0.13 0.00 0.00 32.58 30.22 2kpp s HIS 111 CO -0.05 0.12 1.07 -1.01 -2.47 0.00 0.00 174.74 172.40 2kpp s HIS 112 N 0.30 3.26 0.13 3.88 3.76 -1.26 -4.95 115.29 120.40 2kpp s HIS 112 Ca 0.01 1.64 -0.04 0.00 -0.15 0.00 0.00 55.06 56.52 2kpp s HIS 112 Cb -0.13 -3.18 -0.08 0.00 1.11 0.00 0.00 32.58 30.31 2kpp s HIS 112 CO 0.01 -0.72 1.32 1.25 -0.85 0.00 0.00 174.74 175.75 2kpp h HIS 113 N 2.60 0.59 0.00 1.40 2.76 -2.05 -3.54 115.15 116.91 2kpp h HIS 113 Ca -0.48 -0.32 0.00 0.00 -2.20 0.00 0.00 60.37 57.37 2kpp h HIS 113 Cb 1.22 -0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.11 2kpp h HIS 113 CO 0.57 1.13 0.00 0.72 -1.30 0.00 0.00 177.93 179.05