#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 0.28 0.16 0.03 -0.14 -1.26 -5.13 119.74 113.69 2kpp s LYS 2 Ca 0.00 -0.09 -0.34 0.00 -1.36 0.00 0.00 55.97 54.18 2kpp s LYS 2 Cb 0.00 -1.62 -0.14 0.00 -1.68 0.00 0.00 37.83 34.39 2kpp s LYS 2 CO 0.00 -0.57 1.50 0.09 -0.76 0.00 0.00 175.35 175.61 2kpp n ASN 3 N 5.20 2.75 -4.95 2.83 4.13 -1.26 -5.00 115.26 118.96 2kpp n ASN 3 Ca -0.07 1.10 -0.23 0.00 1.68 0.00 0.00 54.58 57.06 2kpp n ASN 3 Cb 0.49 -1.38 -0.02 0.00 -1.54 0.00 0.00 39.78 37.33 2kpp n ASN 3 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2kpp s THR 4 N 0.67 5.17 0.00 3.41 -4.23 -1.26 -5.03 115.64 114.37 2kpp s THR 4 Ca 0.78 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.64 2kpp s THR 4 Cb -0.73 -3.85 0.00 0.00 1.34 0.00 0.00 72.50 69.26 2kpp s THR 4 CO 0.41 -0.45 0.01 0.61 -0.54 0.00 0.00 174.62 174.67 2kpp n GLY 5 N -1.56 0.90 3.45 3.99 0.00 -1.26 -4.99 105.19 105.72 2kpp n GLY 5 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.89 -4.56 1.61 9.92 -1.26 -4.96 116.55 122.19 2kpp n ASP 6 Ca 0.00 -2.93 -0.42 0.00 -0.53 0.00 0.00 54.79 50.91 2kpp n ASP 6 Cb 0.26 -1.70 -0.03 0.00 -0.64 0.00 0.00 41.12 39.01 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 3.46 3.41 0.08 -1.24 2.02 -1.26 -4.70 118.70 120.47 2kpp s GLU 7 Ca 0.51 0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.56 2kpp s GLU 7 Cb 0.04 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.16 2kpp s GLU 7 CO 0.04 -1.78 -0.04 0.14 0.02 0.00 0.00 175.26 173.64 2kpp s VAL 8 N 5.03 0.47 0.04 2.63 -7.23 -1.26 -1.28 120.40 118.80 2kpp s VAL 8 Ca 0.39 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.72 2kpp s VAL 8 Cb -0.08 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.19 2kpp s VAL 8 CO 0.22 -0.89 -0.13 0.68 -0.31 0.00 0.00 175.10 174.67 2kpp s VAL 9 N -3.76 0.98 -0.32 1.32 -7.23 0.37 -2.45 120.40 109.30 2kpp s VAL 9 Ca 0.11 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.14 2kpp s VAL 9 Cb 0.07 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 36.07 2kpp s VAL 9 CO -0.06 -0.08 0.31 0.00 -0.31 0.00 0.00 175.10 174.97 2kpp s ALA 10 N -0.93 3.51 -0.23 1.32 0.00 0.29 -1.41 121.76 124.31 2kpp s ALA 10 Ca -0.01 -1.18 -0.13 0.00 0.00 0.00 0.00 51.96 50.64 2kpp s ALA 10 Cb -0.08 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2kpp s ALA 10 CO 0.01 -0.93 0.28 0.42 0.00 0.00 0.00 175.76 175.55 2kpp s ILE 11 N 1.93 5.27 -0.35 0.00 -1.09 -0.06 -1.39 121.20 125.50 2kpp s ILE 11 Ca 0.10 0.44 -0.10 0.00 -2.23 0.00 0.00 60.65 58.86 2kpp s ILE 11 Cb -0.17 -3.62 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 2kpp s ILE 11 CO 0.11 0.29 0.19 -0.63 -1.23 0.00 0.00 174.94 173.67 2kpp s ILE 12 N 1.27 4.56 -0.19 2.92 1.09 -0.17 -0.26 121.20 130.42 2kpp s ILE 12 Ca 0.13 -0.74 -0.04 0.00 -1.10 0.00 0.00 60.65 58.90 2kpp s ILE 12 Cb -0.14 -3.48 -0.02 0.00 -1.06 0.00 0.00 42.46 37.75 2kpp s ILE 12 CO 0.07 -0.14 -0.02 -0.44 -0.10 0.00 0.00 174.94 174.30 2kpp s SER 13 N 1.57 4.77 -0.08 3.58 0.01 0.19 -0.41 113.70 123.32 2kpp s SER 13 Ca 0.03 -0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.13 2kpp s SER 13 Cb -0.19 -1.80 -0.01 0.00 0.21 0.00 0.00 66.02 64.23 2kpp s SER 13 CO 0.06 0.09 -0.22 -1.58 0.41 0.00 0.00 173.24 172.01 2kpp s GLN 14 N 0.82 2.86 -0.40 12.44 0.74 0.10 0.16 119.66 136.38 2kpp s GLN 14 Ca -0.00 -0.84 0.00 0.00 0.05 0.00 0.00 55.36 54.57 2kpp s GLN 14 Cb -0.14 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.66 2kpp s GLN 14 CO 0.02 0.31 0.00 0.09 -0.55 0.00 0.00 175.29 175.16 2kpp n ASN 15 N 3.18 -5.15 0.00 6.67 5.03 0.44 -2.09 115.26 123.34 2kpp n ASN 15 Ca -0.18 0.09 0.00 0.00 0.87 0.00 0.00 54.58 55.36 2kpp n ASN 15 Cb 0.52 -2.98 0.00 0.00 -1.02 0.00 0.00 39.78 36.31 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 -0.27 1.11 3.07 7.41 0.00 -1.26 -5.10 105.19 110.13 2kpp n GLY 16 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 0.35 0.35 1.61 -2.85 -0.89 -5.12 119.74 112.44 2kpp s LYS 17 Ca 0.00 -0.18 -0.29 0.00 -1.00 0.00 0.00 55.97 54.51 2kpp s LYS 17 Cb 0.00 0.15 -0.11 0.00 -2.06 0.00 0.00 37.83 35.81 2kpp s LYS 17 CO 0.00 -0.07 1.53 0.28 0.10 0.00 0.00 175.35 177.19 2kpp n VAL 18 N 2.07 1.68 0.00 1.79 0.31 -1.26 0.01 118.33 122.93 2kpp n VAL 18 Ca -0.19 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.72 2kpp n VAL 18 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.50 2kpp n VAL 18 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2kpp n ILE 19 N 0.99 0.00 -3.64 2.52 -5.35 0.45 -4.81 119.36 109.52 2kpp n ILE 19 Ca 0.03 -0.27 -0.06 0.00 -0.27 0.00 0.00 62.75 62.18 2kpp n ILE 19 Cb 0.38 0.85 -0.06 0.00 -1.74 0.00 0.00 39.64 39.06 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 -0.88 0.28 -0.15 6.28 6.06 -1.17 -5.05 118.95 124.31 2kpp s ARG 20 Ca 0.00 0.26 0.00 0.00 -2.50 0.00 0.00 55.73 53.49 2kpp s ARG 20 Cb 0.00 0.13 0.03 0.00 0.06 0.00 0.00 34.95 35.17 2kpp s ARG 20 CO 0.00 -0.05 -0.12 -1.21 -2.50 0.00 0.00 175.30 171.42 2kpp s GLU 21 N -0.14 2.14 -0.16 5.12 8.01 -1.26 -1.00 118.70 131.40 2kpp s GLU 21 Ca 0.05 -0.56 -0.00 0.00 0.01 0.00 0.00 54.97 54.46 2kpp s GLU 21 Cb -0.04 -2.09 -0.00 0.00 -4.31 0.00 0.00 34.13 27.69 2kpp s GLU 21 CO -0.10 -0.28 -0.14 0.42 0.01 0.00 0.00 175.26 175.18 2kpp s ILE 22 N 1.50 2.80 -0.03 -1.63 1.09 -0.49 -5.00 121.20 119.45 2kpp s ILE 22 Ca 0.04 -0.72 -0.30 0.00 -1.10 0.00 0.00 60.65 58.57 2kpp s ILE 22 Cb -0.13 -2.19 -0.05 0.00 -1.06 0.00 0.00 42.46 39.02 2kpp s ILE 22 CO -0.10 0.50 1.48 -2.84 -0.10 0.00 0.00 174.94 173.89 2kpp s PRO 23 N 0.86 4.24 -0.14 2.79 0.02 -1.26 -0.55 135.00 140.96 2kpp s PRO 23 Ca -0.04 2.03 -0.10 0.00 0.02 0.00 0.00 61.00 62.91 2kpp s PRO 23 Cb -0.15 -3.72 -0.07 0.00 0.02 0.00 0.00 34.50 30.58 2kpp s PRO 23 CO -0.00 -0.69 0.07 -0.07 -0.33 0.00 0.00 177.00 175.98 2kpp h LEU 24 N 9.09 0.00 -9.51 -5.54 3.38 -1.81 -3.40 115.31 107.52 2kpp h LEU 24 Ca -0.37 -0.20 -0.53 0.00 0.09 0.00 0.00 57.88 56.86 2kpp h LEU 24 Cb 1.17 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.95 2kpp h LEU 24 CO 0.93 0.80 0.92 -0.89 0.09 0.00 0.00 178.44 180.29 2kpp s THR 25 N -2.00 2.94 0.00 0.22 2.01 -1.08 -1.23 115.64 116.50 2kpp s THR 25 Ca -0.12 0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.42 2kpp s THR 25 Cb 0.01 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.18 2kpp s THR 25 CO 0.25 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 2kpp n GLY 26 N 3.85 0.89 3.42 4.40 0.00 -1.26 -4.92 105.19 111.56 2kpp n GLY 26 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.95 3.28 0.87 1.61 5.04 -0.37 -5.03 115.29 117.75 2kpp s HIS 27 Ca 0.00 -1.53 -0.12 0.00 -1.54 0.00 0.00 55.06 51.87 2kpp s HIS 27 Cb 0.00 -4.15 0.11 0.00 0.04 0.00 0.00 32.58 28.58 2kpp s HIS 27 CO 0.00 -1.35 1.15 0.15 -2.34 0.00 0.00 174.74 172.35 2kpp s LYS 28 N 2.02 1.51 2.12 2.88 3.01 -1.26 -1.00 119.74 129.01 2kpp s LYS 28 Ca 0.28 0.26 0.00 0.00 -1.01 0.00 0.00 55.97 55.50 2kpp s LYS 28 Cb -0.07 -1.88 0.00 0.00 -1.01 0.00 0.00 37.83 34.87 2kpp s LYS 28 CO -0.09 -1.94 0.00 0.41 0.51 0.00 0.00 175.35 174.25 2kpp n GLY 29 N -2.57 -0.67 3.22 -3.33 0.00 -1.26 -4.69 105.19 95.89 2kpp n GLY 29 Ca 0.07 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 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 3.34 -0.02 1.61 3.84 -1.26 -1.69 114.94 116.77 2kpp s ASN 30 Ca 0.00 -0.54 0.00 0.00 0.21 0.00 0.00 52.86 52.53 2kpp s ASN 30 Cb 0.00 -1.49 0.03 0.00 -0.55 0.00 0.00 41.25 39.24 2kpp s ASN 30 CO 0.00 0.10 0.02 -0.70 -2.79 0.00 0.00 177.10 173.73 2kpp s GLU 31 N 0.73 0.02 0.16 0.43 2.12 -0.31 -5.02 118.70 116.84 2kpp s GLU 31 Ca -0.08 0.15 0.10 0.00 0.36 0.00 0.00 54.97 55.50 2kpp s GLU 31 Cb -0.16 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 33.92 2kpp s GLU 31 CO 0.01 -0.15 -0.21 -0.65 -0.54 0.00 0.00 175.26 173.71 2kpp s GLN 32 N 0.97 1.35 -0.14 4.30 -0.21 -1.26 -0.44 119.66 124.23 2kpp s GLN 32 Ca -0.08 -1.41 -0.12 0.00 0.02 0.00 0.00 55.36 53.76 2kpp s GLN 32 Cb -0.12 -1.57 0.04 0.00 1.00 0.00 0.00 33.01 32.36 2kpp s GLN 32 CO -0.03 0.34 0.37 -0.59 -2.12 0.00 0.00 175.29 173.27 2kpp s PHE 33 N -1.71 -0.43 -0.24 0.91 -0.71 -0.28 -5.01 117.98 110.51 2kpp s PHE 33 Ca 0.16 1.03 -0.10 0.00 -1.04 0.00 0.00 56.93 56.98 2kpp s PHE 33 Cb -0.07 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 2kpp s PHE 33 CO 0.07 -0.22 0.14 0.99 -1.34 0.00 0.00 175.22 174.86 2kpp s THR 34 N 0.41 5.08 -0.18 -4.49 2.01 -1.26 -1.00 115.64 116.21 2kpp s THR 34 Ca -0.02 0.09 -0.12 0.00 0.31 0.00 0.00 61.69 61.95 2kpp s THR 34 Cb -0.04 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.05 2kpp s THR 34 CO -0.02 0.34 0.22 -0.63 -0.69 0.00 0.00 174.62 173.84 2kpp s ILE 35 N 1.24 5.35 -0.05 1.82 1.01 0.09 -4.94 121.20 125.71 2kpp s ILE 35 Ca 0.06 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 2kpp s ILE 35 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.73 2kpp s ILE 35 CO 0.05 0.40 0.04 -0.54 0.00 0.00 0.00 174.94 174.89 2kpp s LYS 36 N 0.50 3.01 0.00 2.79 1.02 -1.26 -0.28 119.74 125.52 2kpp s LYS 36 Ca 0.13 -0.44 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2kpp s LYS 36 Cb -0.12 -2.82 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2kpp s LYS 36 CO 0.02 0.68 0.00 0.41 -0.92 0.00 0.00 175.35 175.54 2kpp n GLY 37 N 1.71 1.37 1.53 -3.33 0.00 -0.38 -4.98 105.19 101.11 2kpp n GLY 37 Ca -0.16 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 43.92 2kpp n GLY 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kpp n LYS 38 N 0.00 2.96 0.00 1.61 4.76 -1.26 -4.86 118.16 121.37 2kpp n LYS 38 Ca 0.00 -2.00 0.00 0.00 -2.87 0.00 0.00 58.31 53.44 2kpp n LYS 38 Cb 0.00 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.27 2kpp n LYS 38 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kpp n GLY 39 N 0.09 -0.58 2.70 0.72 0.00 -1.26 -5.01 105.19 101.84 2kpp n GLY 39 Ca 0.25 0.20 -0.40 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 5.56 -3.73 4.61 0.00 -1.26 -4.85 120.51 120.84 2kpp n ALA 40 Ca 0.00 -3.61 -0.13 0.00 0.00 0.00 0.00 53.44 49.69 2kpp n ALA 40 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 19.45 15.82 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 3.28 0.12 -0.06 0.00 -0.21 -1.26 -5.00 119.66 116.53 2kpp s GLN 41 Ca 0.53 0.41 -0.11 0.00 0.02 0.00 0.00 55.36 56.20 2kpp s GLN 41 Cb 0.15 -0.16 0.02 0.00 1.00 0.00 0.00 33.01 34.01 2kpp s GLN 41 CO -0.05 -0.16 0.27 1.52 -2.12 0.00 0.00 175.29 174.74 2kpp s TYR 42 N 1.18 -0.21 -0.21 0.91 1.13 -1.26 -1.25 117.35 117.64 2kpp s TYR 42 Ca -0.09 0.46 -0.01 0.00 -1.41 0.00 0.00 57.07 56.03 2kpp s TYR 42 Cb -0.11 0.08 0.06 0.00 -1.10 0.00 0.00 41.96 40.88 2kpp s TYR 42 CO -0.06 -0.24 -0.03 -0.80 -2.51 0.00 0.00 175.55 171.90 2kpp s ASN 43 N -0.55 3.40 -0.57 -0.18 -0.87 0.62 -3.41 114.94 113.38 2kpp s ASN 43 Ca -0.06 -0.98 -0.24 0.00 -1.57 0.00 0.00 52.86 50.01 2kpp s ASN 43 Cb -0.04 -0.96 0.05 0.00 -0.02 0.00 0.00 41.25 40.28 2kpp s ASN 43 CO 0.02 -0.25 0.93 -0.22 -2.57 0.00 0.00 177.10 175.01 2kpp s LEU 44 N 1.57 4.19 -0.01 0.60 2.96 0.95 -0.73 118.68 128.20 2kpp s LEU 44 Ca -0.03 -0.48 -0.18 0.00 -0.22 0.00 0.00 54.13 53.21 2kpp s LEU 44 Cb -0.18 -2.74 -0.05 0.00 0.50 0.00 0.00 46.19 43.72 2kpp s LEU 44 CO -0.07 -1.24 0.52 -0.04 -1.32 0.00 0.00 176.35 174.20 2kpp s MET 45 N 3.90 4.21 -0.16 1.98 -1.94 -0.17 -0.32 119.30 126.80 2kpp s MET 45 Ca 0.28 0.60 0.00 0.00 -1.71 0.00 0.00 55.69 54.86 2kpp s MET 45 Cb -0.14 -3.32 0.03 0.00 2.01 0.00 0.00 34.83 33.42 2kpp s MET 45 CO 0.17 0.44 -0.09 -2.00 -0.01 0.00 0.00 175.02 173.54 2kpp s GLU 46 N -0.38 1.81 -0.43 2.03 2.12 -0.32 -1.13 118.70 122.41 2kpp s GLU 46 Ca 0.28 -0.56 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 2kpp s GLU 46 Cb -0.17 -2.06 0.05 0.00 0.26 0.00 0.00 34.13 32.21 2kpp s GLU 46 CO 0.15 -0.35 0.33 0.08 -0.54 0.00 0.00 175.26 174.93 2kpp s VAL 47 N 1.55 5.07 -0.15 3.70 1.01 0.41 -1.86 120.40 130.14 2kpp s VAL 47 Ca 0.02 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.07 2kpp s VAL 47 Cb -0.14 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2kpp s VAL 47 CO -0.09 -0.44 -0.08 -0.62 0.00 0.00 0.00 175.10 173.88 2kpp s ASP 48 N 2.10 2.61 -1.01 3.32 2.15 0.21 -1.16 116.67 124.90 2kpp s ASP 48 Ca 0.04 -0.52 -0.05 0.00 0.43 0.00 0.00 52.55 52.44 2kpp s ASP 48 Cb -0.22 -0.95 -0.06 0.00 -0.30 0.00 0.00 42.92 41.39 2kpp s ASP 48 CO 0.07 -0.14 0.89 0.61 -0.17 0.00 0.00 175.17 176.43 2kpp n GLY 49 N 4.87 -1.14 2.51 2.66 0.00 -0.68 -3.09 105.19 110.31 2kpp n GLY 49 Ca -0.13 0.57 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.09 -1.51 -3.84 1.61 1.02 -0.17 -4.94 120.64 109.72 2kpp n GLU 50 Ca -0.06 0.99 -0.11 0.00 -0.02 0.00 0.00 57.16 57.96 2kpp n GLU 50 Cb 0.61 -5.33 -0.09 0.00 -0.02 0.00 0.00 31.44 26.61 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 -3.28 0.62 0.09 3.49 1.70 -1.18 -4.45 118.95 115.95 2kpp s ARG 51 Ca 0.00 -0.48 0.06 0.00 -0.47 0.00 0.00 55.73 54.84 2kpp s ARG 51 Cb 0.00 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.61 2kpp s ARG 51 CO 0.00 -0.17 -0.16 -1.50 -1.08 0.00 0.00 175.30 172.40 2kpp s ILE 52 N -1.95 1.31 0.26 4.99 2.07 -0.59 -0.62 121.20 126.67 2kpp s ILE 52 Ca -0.10 -1.47 -0.20 0.00 -1.41 0.00 0.00 60.65 57.47 2kpp s ILE 52 Cb -0.04 -1.31 0.02 0.00 0.13 0.00 0.00 42.46 41.27 2kpp s ILE 52 CO -0.01 -0.24 0.68 0.00 -1.91 0.00 0.00 174.94 173.46 2kpp s ARG 53 N -2.03 1.70 -0.19 3.50 3.03 -0.78 -1.21 118.95 122.98 2kpp s ARG 53 Ca 0.03 -0.96 -0.28 0.00 2.03 0.00 0.00 55.73 56.55 2kpp s ARG 53 Cb -0.09 0.59 -0.00 0.00 -1.03 0.00 0.00 34.95 34.42 2kpp s ARG 53 CO 0.03 -0.77 0.97 0.42 -1.13 0.00 0.00 175.30 174.82 2kpp s ILE 54 N -3.91 4.76 -0.02 4.99 1.01 -1.25 -1.17 121.20 125.61 2kpp s ILE 54 Ca 0.11 1.91 -0.08 0.00 0.00 0.00 0.00 60.65 62.59 2kpp s ILE 54 Cb -0.05 -4.26 -0.30 0.00 0.01 0.00 0.00 42.46 37.87 2kpp s ILE 54 CO 0.05 -0.09 0.79 0.50 0.00 0.00 0.00 174.94 176.20 2kpp h LYS 55 N 7.37 0.34 -1.95 2.79 3.64 -1.00 -3.37 116.57 124.39 2kpp h LYS 55 Ca -0.24 -0.58 -0.02 0.00 -1.27 0.00 0.00 60.65 58.54 2kpp h LYS 55 Cb 1.10 0.22 -0.22 0.00 -0.41 0.00 0.00 32.23 32.92 2kpp h LYS 55 CO 0.91 1.23 0.15 -2.00 -2.27 0.00 0.00 179.45 177.48 2kpp s GLU 56 N -2.60 0.77 0.12 1.90 2.56 -1.18 -5.03 118.70 115.25 2kpp s GLU 56 Ca -0.12 0.98 -0.25 0.00 0.00 0.00 0.00 54.97 55.59 2kpp s GLU 56 Cb 0.06 0.34 0.07 0.00 2.00 0.00 0.00 34.13 36.61 2kpp s GLU 56 CO 0.86 -0.10 0.75 0.16 -0.56 0.00 0.00 175.26 176.37 2kpp s ASP 57 N 0.57 -0.41 -1.09 -1.70 -4.77 -1.26 -0.04 116.67 107.97 2kpp s ASP 57 Ca -0.01 -0.13 -0.03 0.00 -3.30 0.00 0.00 52.55 49.07 2kpp s ASP 57 Cb -0.05 0.53 0.29 0.00 -1.09 0.00 0.00 42.92 42.61 2kpp s ASP 57 CO -0.03 -0.90 1.75 -0.46 0.70 0.00 0.00 175.17 176.22 2kpp n ASN 58 N -0.36 6.94 -4.49 2.11 6.94 -1.22 -4.97 115.26 120.21 2kpp n ASN 58 Ca -0.11 -3.51 -0.32 0.00 -0.02 0.00 0.00 54.58 50.62 2kpp n ASN 58 Cb 0.63 -1.24 -0.13 0.00 -2.36 0.00 0.00 39.78 36.68 2kpp n ASN 58 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2kpp s SER 59 N -1.26 4.08 0.47 0.53 1.04 -1.26 -4.91 113.70 112.39 2kpp s SER 59 Ca 0.37 -0.23 0.26 0.00 0.48 0.00 0.00 55.95 56.83 2kpp s SER 59 Cb 0.13 -0.84 1.04 0.00 0.10 0.00 0.00 66.02 66.45 2kpp s SER 59 CO -0.03 0.32 1.87 1.55 0.98 0.00 0.00 173.24 177.93 2kpp h PRO 60 N 5.05 0.00 0.16 4.02 0.13 -2.00 -3.26 132.00 136.10 2kpp h PRO 60 Ca -0.47 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.30 2kpp h PRO 60 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2kpp h PRO 60 CO 0.50 0.17 -1.86 -0.44 -0.23 0.00 0.00 178.00 176.15 2kpp h ASP 61 N 0.00 0.52 -1.56 1.44 5.19 -2.00 -3.48 116.42 116.53 2kpp h ASP 61 Ca -0.00 -0.92 -0.40 0.00 -0.62 0.00 0.00 57.03 55.08 2kpp h ASP 61 Cb 0.67 -0.17 -0.12 0.00 0.18 0.00 0.00 39.33 39.90 2kpp h ASP 61 CO 0.02 1.80 -0.42 0.00 -3.12 0.00 0.00 179.24 177.53 2kpp n GLN 62 N -3.53 -1.45 -0.14 3.56 1.13 -1.23 -4.87 117.38 110.85 2kpp n GLN 62 Ca -0.28 1.13 0.11 0.00 -1.94 0.00 0.00 57.00 56.02 2kpp n GLN 62 Cb 1.06 -5.56 0.45 0.00 0.11 0.00 0.00 30.24 26.31 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 0.91 -0.43 5.09 2.07 -1.92 -0.67 116.25 121.29 2kpp h VAL 63 Ca -0.43 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 66.96 2kpp h VAL 63 Cb 1.32 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 2kpp h VAL 63 CO 0.58 0.10 0.15 1.23 0.02 0.00 0.00 177.57 179.65 2kpp h GLY 64 N 0.53 0.56 1.65 2.17 0.00 -1.90 -0.14 103.07 105.95 2kpp h GLY 64 Ca 0.31 -0.08 -0.18 0.00 0.00 0.00 0.00 47.33 47.38 2kpp h GLY 64 CO -0.10 0.02 -0.74 -2.08 0.00 0.00 0.00 176.54 173.63 2kpp h VAL 65 N 0.32 1.40 0.00 4.60 2.07 -1.57 -3.16 116.25 119.90 2kpp h VAL 65 Ca 0.20 -2.21 -0.00 0.00 0.82 0.00 0.00 66.70 65.51 2kpp h VAL 65 Cb 0.20 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.14 2kpp h VAL 65 CO -0.21 0.66 -0.01 0.50 0.02 0.00 0.00 177.57 178.53 2kpp h LYS 66 N 0.23 0.00 -0.67 1.57 1.63 -0.43 -2.39 116.57 116.50 2kpp h LYS 66 Ca -0.03 0.00 0.11 0.00 -0.85 0.00 0.00 60.65 59.88 2kpp h LYS 66 Cb 1.32 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 32.90 2kpp h LYS 66 CO 0.12 0.01 0.45 0.52 -3.45 0.00 0.00 179.45 177.10 2kpp h MET 67 N 0.00 0.45 0.00 1.90 2.86 -1.01 -3.48 114.93 115.65 2kpp h MET 67 Ca -0.00 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kpp h MET 67 Cb 0.02 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.58 2kpp h MET 67 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68 2kpp n GLY 68 N -1.51 -1.30 3.60 8.32 0.00 -0.90 -4.73 105.19 108.68 2kpp n GLY 68 Ca 0.12 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.45 2kpp n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kpp s TRP 69 N 0.00 2.27 -0.10 1.61 0.52 -1.26 -4.48 118.94 117.51 2kpp s TRP 69 Ca 0.00 0.66 -0.02 0.00 0.02 0.00 0.00 56.10 56.77 2kpp s TRP 69 Cb 0.00 -4.25 -0.03 0.00 -1.15 0.00 0.00 33.47 28.04 2kpp s TRP 69 CO 0.00 -2.21 -0.03 0.15 0.02 0.00 0.00 176.95 174.88 2kpp s LYS 70 N 5.06 3.08 0.00 4.98 -0.14 -0.35 -4.91 119.74 127.46 2kpp s LYS 70 Ca 0.65 -0.47 0.00 0.00 -1.36 0.00 0.00 55.97 54.79 2kpp s LYS 70 Cb -0.16 -2.77 0.00 0.00 -1.68 0.00 0.00 37.83 33.23 2kpp s LYS 70 CO 0.33 0.58 0.71 -1.13 -0.76 0.00 0.00 175.35 175.08 2kpp n SER 71 N 2.50 -0.50 -4.44 2.83 3.41 -1.26 -1.54 113.62 114.61 2kpp n SER 71 Ca -0.18 -1.42 -0.32 0.00 -0.26 0.00 0.00 58.87 56.69 2kpp n SER 71 Cb 0.53 0.15 -0.14 0.00 -0.26 0.00 0.00 64.21 64.49 2kpp n SER 71 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2kpp s LYS 72 N 0.00 2.33 -0.37 4.33 -0.14 -1.26 -4.83 119.74 119.81 2kpp s LYS 72 Ca 0.00 -0.80 -0.28 0.00 -1.36 0.00 0.00 55.97 53.53 2kpp s LYS 72 Cb 0.00 -2.27 -0.04 0.00 -1.68 0.00 0.00 37.83 33.85 2kpp s LYS 72 CO 0.00 0.59 2.05 0.00 -0.76 0.00 0.00 175.35 177.23 2kpp s ALA 73 N -0.75 2.49 0.00 5.17 0.00 -1.26 -2.08 121.76 125.33 2kpp s ALA 73 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2kpp s ALA 73 Cb -0.10 -4.14 0.00 0.00 0.00 0.00 0.00 23.12 18.88 2kpp s ALA 73 CO 0.01 -3.21 0.00 0.41 0.00 0.00 0.00 175.76 172.97 2kpp n GLY 74 N 5.68 1.01 3.84 0.00 0.00 -0.75 -4.95 105.19 110.02 2kpp n GLY 74 Ca 0.27 0.00 -0.37 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 -1.05 6.79 0.07 1.61 1.01 -0.88 -4.96 116.67 119.26 2kpp s ASP 75 Ca 0.00 0.97 0.02 0.00 0.71 0.00 0.00 52.55 54.25 2kpp s ASP 75 Cb 0.00 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 2kpp s ASP 75 CO 0.00 0.25 -0.08 0.42 0.21 0.00 0.00 175.17 175.97 2kpp s THR 76 N -1.22 0.67 -0.15 -1.27 -4.23 -1.26 -1.52 115.64 106.66 2kpp s THR 76 Ca 0.29 -1.40 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 2kpp s THR 76 Cb -0.16 -1.03 -0.02 0.00 1.34 0.00 0.00 72.50 72.64 2kpp s THR 76 CO 0.16 -0.53 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.98 2kpp s ILE 77 N -2.12 3.23 -0.20 2.99 -1.09 0.11 -4.94 121.20 119.17 2kpp s ILE 77 Ca -0.02 -0.59 -0.02 0.00 -2.23 0.00 0.00 60.65 57.80 2kpp s ILE 77 Cb -0.05 -2.39 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 2kpp s ILE 77 CO -0.01 0.50 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.40 2kpp s VAL 78 N 0.53 2.81 -0.68 2.92 1.01 -1.26 -1.25 120.40 124.49 2kpp s VAL 78 Ca -0.07 -0.68 0.05 0.00 0.00 0.00 0.00 61.98 61.27 2kpp s VAL 78 Cb -0.15 -2.24 0.17 0.00 0.00 0.00 0.00 36.38 34.15 2kpp s VAL 78 CO 0.04 0.47 0.47 0.00 0.00 0.00 0.00 175.10 176.08 2kpp h LEU 80 N 5.49 -0.58 0.00 0.00 6.46 -1.96 0.59 115.31 125.31 2kpp h LEU 80 Ca 0.13 0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.95 2kpp h LEU 80 Cb 0.77 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2kpp h LEU 80 CO 0.70 -0.31 0.00 -0.81 -0.62 0.00 0.00 178.44 177.40 2kpp n PRO 81 N -5.34 0.01 0.00 5.25 -0.04 -1.26 -1.51 135.00 132.11 2kpp n PRO 81 Ca -0.08 0.34 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2kpp n PRO 81 Cb 0.25 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.21 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 -1.48 0.00 -3.28 0.54 8.25 -0.91 -5.01 115.22 113.33 2kpp n HIS 82 Ca 0.02 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 2kpp n HIS 82 Cb 0.10 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.24 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 -0.37 -5.31 -4.70 -0.41 5.02 0.13 -4.84 118.16 107.68 2kpp n LYS 83 Ca 0.03 0.79 -0.33 0.00 -2.02 0.00 0.00 58.31 56.77 2kpp n LYS 83 Cb 0.13 -5.67 -0.12 0.00 -0.02 0.00 0.00 35.03 29.35 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 -3.18 3.48 0.01 -0.18 1.01 -0.76 -0.42 120.40 120.37 2kpp s VAL 84 Ca 0.41 -0.56 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2kpp s VAL 84 Cb -0.19 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.76 2kpp s VAL 84 CO 0.51 0.59 0.01 0.12 0.00 0.00 0.00 175.10 176.32 2kpp s PHE 85 N -0.64 0.18 -0.12 5.22 5.36 0.12 -0.58 117.98 127.52 2kpp s PHE 85 Ca 0.10 -0.37 -0.04 0.00 -0.96 0.00 0.00 56.93 55.66 2kpp s PHE 85 Cb -0.11 -0.13 0.05 0.00 -0.34 0.00 0.00 43.02 42.48 2kpp s PHE 85 CO 0.02 -0.18 0.07 0.08 -1.46 0.00 0.00 175.22 173.75 2kpp s VAL 86 N -1.22 -0.04 -0.19 3.12 1.01 -0.38 0.54 120.40 123.25 2kpp s VAL 86 Ca -0.13 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2kpp s VAL 86 Cb -0.08 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2kpp s VAL 86 CO -0.00 -0.10 0.02 -1.83 0.00 0.00 0.00 175.10 173.19 2kpp s GLU 87 N 2.13 3.74 -0.24 2.72 1.03 0.64 0.04 118.70 128.75 2kpp s GLU 87 Ca 0.03 -0.46 -0.15 0.00 0.03 0.00 0.00 54.97 54.42 2kpp s GLU 87 Cb -0.15 -3.12 -0.04 0.00 -0.80 0.00 0.00 34.13 30.03 2kpp s GLU 87 CO -0.07 0.11 0.36 0.42 -1.33 0.00 0.00 175.26 174.75 2kpp s ILE 88 N 0.76 5.20 0.14 1.83 1.01 -0.58 -0.88 121.20 128.69 2kpp s ILE 88 Ca 0.01 0.57 0.10 0.00 0.00 0.00 0.00 60.65 61.34 2kpp s ILE 88 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2kpp s ILE 88 CO 0.02 0.21 -0.23 -1.59 0.00 0.00 0.00 174.94 173.35 2kpp s LYS 89 N 1.71 1.34 0.46 2.79 -2.85 -0.50 -1.80 119.74 120.87 2kpp s LYS 89 Ca 0.16 -1.35 -0.21 0.00 -1.00 0.00 0.00 55.97 53.56 2kpp s LYS 89 Cb -0.15 -1.67 -0.09 0.00 -2.06 0.00 0.00 37.83 33.86 2kpp s LYS 89 CO 0.09 0.38 1.02 0.45 0.10 0.00 0.00 175.35 177.38 2kpp s SER 90 N -2.25 6.56 0.25 0.03 0.15 -1.26 -0.48 113.70 116.70 2kpp s SER 90 Ca 0.14 1.89 0.13 0.00 0.70 0.00 0.00 55.95 58.80 2kpp s SER 90 Cb -0.09 -2.56 0.17 0.00 -1.71 0.00 0.00 66.02 61.83 2kpp s SER 90 CO 0.07 -0.63 1.49 0.71 1.20 0.00 0.00 173.24 176.08 2kpp h THR 91 N 1.75 1.20 -3.11 6.45 1.35 -1.51 -3.44 112.91 115.61 2kpp h THR 91 Ca -0.49 -2.40 -0.34 0.00 -0.55 0.00 0.00 66.41 62.63 2kpp h THR 91 Cb 1.21 2.39 0.17 0.00 -1.73 0.00 0.00 68.15 70.19 2kpp h THR 91 CO 0.60 0.62 0.10 0.00 -0.25 0.00 0.00 175.52 176.59 2kpp n GLN 92 N -3.41 -2.86 -1.16 4.72 1.13 -1.26 -4.86 117.38 109.68 2kpp n GLN 92 Ca 0.00 -1.51 -0.34 0.00 -1.94 0.00 0.00 57.00 53.21 2kpp n GLN 92 Cb 0.73 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.64 2kpp n GLN 92 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kpp n LYS 93 N -4.39 3.17 -1.96 -1.09 4.76 -1.26 -4.90 118.16 112.49 2kpp n LYS 93 Ca 0.13 -2.00 -0.42 0.00 -2.87 0.00 0.00 58.31 53.15 2kpp n LYS 93 Cb 0.51 -2.72 -0.03 0.00 -1.84 0.00 0.00 35.03 30.95 2kpp n LYS 93 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2kpp s ASP 94 N 2.62 5.69 -1.08 4.39 2.15 -1.26 -4.87 116.67 124.31 2kpp s ASP 94 Ca 0.60 1.16 -0.26 0.00 0.43 0.00 0.00 52.55 54.48 2kpp s ASP 94 Cb 0.16 -2.52 -0.19 0.00 -0.30 0.00 0.00 42.92 40.06 2kpp s ASP 94 CO -0.05 -1.89 2.10 -0.44 -0.17 0.00 0.00 175.17 174.71 2kpp s SER 95 N 6.85 3.83 0.27 -0.34 0.01 -1.26 -4.85 113.70 118.21 2kpp s SER 95 Ca 0.80 -1.04 0.02 0.00 1.31 0.00 0.00 55.95 57.04 2kpp s SER 95 Cb -0.21 -2.59 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 2kpp s SER 95 CO 0.31 -4.32 0.07 -0.54 0.41 0.00 0.00 173.24 169.17 2kpp s LYS 96 N 8.04 1.46 0.42 12.44 -0.14 -1.26 -5.15 119.74 135.55 2kpp s LYS 96 Ca 0.79 -1.79 -0.23 0.00 -1.36 0.00 0.00 55.97 53.38 2kpp s LYS 96 Cb -0.05 -0.50 -0.09 0.00 -1.68 0.00 0.00 37.83 35.51 2kpp s LYS 96 CO 0.16 -0.23 1.03 0.16 -0.76 0.00 0.00 175.35 175.72 2kpp s ASP 97 N -3.36 6.70 0.00 2.83 1.47 -1.26 -5.04 116.67 118.01 2kpp s ASP 97 Ca 0.36 1.97 0.00 0.00 1.18 0.00 0.00 52.55 56.06 2kpp s ASP 97 Cb 0.08 -2.58 0.00 0.00 -0.34 0.00 0.00 42.92 40.08 2kpp s ASP 97 CO 0.13 -0.53 0.21 -0.81 0.68 0.00 0.00 175.17 174.85 2kpp n PRO 98 N -0.29 0.00 -1.24 2.11 -0.04 -1.26 -4.91 135.00 129.37 2kpp n PRO 98 Ca 0.06 0.50 -0.11 0.00 -0.04 0.00 0.00 63.50 63.91 2kpp n PRO 98 Cb 0.51 -1.10 -0.05 0.00 -0.04 0.00 0.00 33.50 32.82 2kpp n PRO 98 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kpp n ASP 99 N -1.99 -4.29 -1.26 3.54 8.00 -1.26 -4.80 116.55 114.49 2kpp n ASP 99 Ca 0.00 0.27 0.08 0.00 0.71 0.00 0.00 54.79 55.86 2kpp n ASP 99 Cb 0.00 -3.49 0.28 0.00 -0.02 0.00 0.00 41.12 37.89 2kpp n ASP 99 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2kpp n THR 100 N -1.88 1.22 -1.69 -3.53 -1.04 -1.26 -4.85 114.28 101.24 2kpp n THR 100 Ca -0.11 -0.90 -0.17 0.00 -2.04 0.00 0.00 64.05 60.83 2kpp n THR 100 Cb 0.48 0.19 -0.07 0.00 -1.82 0.00 0.00 70.33 69.11 2kpp n THR 100 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2kpp s ASP 101 N -0.89 4.10 -0.72 8.00 1.11 -1.26 -4.89 116.67 122.12 2kpp s ASP 101 Ca 0.41 -0.35 -0.26 0.00 0.18 0.00 0.00 52.55 52.53 2kpp s ASP 101 Cb 0.25 -2.56 0.04 0.00 1.07 0.00 0.00 42.92 41.71 2kpp s ASP 101 CO 0.23 -3.78 1.21 -0.22 1.18 0.00 0.00 175.17 173.79 2kpp s LEU 102 N 14.11 3.42 -0.43 1.23 2.96 -1.26 -4.97 118.68 133.74 2kpp s LEU 102 Ca 0.85 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 54.02 2kpp s LEU 102 Cb -0.10 -2.55 0.02 0.00 0.50 0.00 0.00 46.19 44.06 2kpp s LEU 102 CO 0.08 -1.74 0.61 -0.63 -1.32 0.00 0.00 176.35 173.35 2kpp s ILE 103 N 5.36 4.87 0.37 6.68 1.01 -1.26 -5.06 121.20 133.17 2kpp s ILE 103 Ca 0.33 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.77 2kpp s ILE 103 Cb -0.10 -4.17 -0.11 0.00 0.01 0.00 0.00 42.46 38.09 2kpp s ILE 103 CO 0.14 -0.55 1.46 0.68 0.00 0.00 0.00 174.94 176.67 2kpp s VAL 104 N 2.71 2.17 0.50 2.92 -7.23 -1.26 -4.95 120.40 115.26 2kpp s VAL 104 Ca 0.21 0.17 -0.23 0.00 -1.81 0.00 0.00 61.98 60.33 2kpp s VAL 104 Cb -0.15 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.62 2kpp s VAL 104 CO 0.18 0.04 1.31 -2.16 -0.31 0.00 0.00 175.10 174.16 2kpp s PRO 105 N -1.99 3.43 -0.03 4.82 0.04 -1.26 -4.91 135.00 135.09 2kpp s PRO 105 Ca 0.52 2.13 0.05 0.00 0.04 0.00 0.00 61.00 63.74 2kpp s PRO 105 Cb -0.45 -2.38 0.19 0.00 0.04 0.00 0.00 34.50 31.90 2kpp s PRO 105 CO 0.61 -0.92 0.96 0.27 0.04 0.00 0.00 177.00 177.96 2kpp n ASN 106 N -0.70 1.69 -4.77 6.66 0.23 -1.26 -4.92 115.26 112.19 2kpp n ASN 106 Ca 0.08 -2.13 -0.41 0.00 -0.53 0.00 0.00 54.58 51.59 2kpp n ASN 106 Cb 0.45 -0.36 -0.01 0.00 -2.08 0.00 0.00 39.78 37.79 2kpp n ASN 106 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 2kpp s LEU 107 N -0.84 4.33 -0.09 -4.53 1.02 -1.26 -4.93 118.68 112.38 2kpp s LEU 107 Ca 0.13 3.00 -0.30 0.00 0.02 0.00 0.00 54.13 56.99 2kpp s LEU 107 Cb 0.09 -3.66 -0.04 0.00 0.02 0.00 0.00 46.19 42.60 2kpp s LEU 107 CO 0.06 -0.85 1.54 -1.61 0.02 0.00 0.00 176.35 175.51 2kpp s GLU 108 N -1.74 4.19 0.12 1.70 2.02 -1.26 -4.96 118.70 118.77 2kpp s GLU 108 Ca 0.54 2.03 -0.31 0.00 0.02 0.00 0.00 54.97 57.25 2kpp s GLU 108 Cb -0.46 -3.92 -0.10 0.00 0.10 0.00 0.00 34.13 29.75 2kpp s GLU 108 CO 0.59 -0.81 1.76 -1.01 0.02 0.00 0.00 175.26 175.81 2kpp s HIS 109 N 3.90 2.33 -1.55 1.61 3.76 -1.26 -4.87 115.29 119.20 2kpp s HIS 109 Ca 0.68 0.13 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 2kpp s HIS 109 Cb -0.30 -4.11 0.00 0.00 1.11 0.00 0.00 32.58 29.28 2kpp s HIS 109 CO 0.25 -4.49 0.77 0.72 -0.85 0.00 0.00 174.74 171.14 2kpp n HIS 110 N 5.43 0.00 -0.09 1.40 -0.00 -1.25 -2.76 115.22 117.95 2kpp n HIS 110 Ca 0.17 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.72 2kpp n HIS 110 Cb 0.38 -0.05 -0.10 0.00 -0.00 0.00 0.00 29.99 30.23 2kpp n HIS 110 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kpp h HIS 111 N 0.00 0.00 -0.32 4.41 -0.00 -1.94 -3.36 115.15 113.94 2kpp h HIS 111 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2kpp h HIS 111 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 2kpp h HIS 111 CO 0.00 1.12 0.00 1.58 -0.00 0.00 0.00 177.93 180.63 2kpp n HIS 112 N -4.52 0.42 -3.26 5.26 -0.00 -1.21 -4.69 115.22 107.22 2kpp n HIS 112 Ca -0.22 -0.21 -0.05 0.00 -0.00 0.00 0.00 57.72 57.24 2kpp n HIS 112 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.50 2kpp n HIS 112 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kpp s HIS 113 N -1.58 -1.26 -2.00 1.57 5.04 -1.11 -5.09 115.29 110.85 2kpp s HIS 113 Ca 0.37 0.12 0.15 0.00 -1.54 0.00 0.00 55.06 54.16 2kpp s HIS 113 Cb 0.21 0.05 0.92 0.00 0.04 0.00 0.00 32.58 33.80 2kpp s HIS 113 CO 0.30 -1.08 1.34 1.58 -2.34 0.00 0.00 174.74 174.53