#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir s VAL 4 N 0.00 1.81 0.04 3.15 0.11 -1.26 -4.08 120.40 120.16 3kir s VAL 4 Ca 0.00 -0.99 -0.30 0.00 -2.93 0.00 0.00 61.98 57.75 3kir s VAL 4 Cb 0.00 -1.50 -0.07 0.00 -1.53 0.00 0.00 36.38 33.28 3kir s VAL 4 CO 0.00 0.50 1.53 0.00 -3.33 0.00 0.00 175.10 173.80 3kir h GLU 6 N 8.05 0.00 0.00 0.00 5.08 -1.25 -0.49 114.58 125.97 3kir h GLU 6 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 3kir h GLU 6 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3kir h GLU 6 CO 0.92 0.24 -0.47 -0.89 -1.00 0.00 0.00 179.01 177.81 3kir n ILE 7 N -3.92 1.19 0.11 3.13 -0.00 -1.26 -4.58 119.36 114.03 3kir n ILE 7 Ca -0.02 0.26 -0.02 0.00 -0.00 0.00 0.00 62.75 62.97 3kir n ILE 7 Cb 0.33 -2.24 0.01 0.00 -0.00 0.00 0.00 39.64 37.73 3kir n ILE 7 CO 0.00 0.00 0.00 0.77 -0.00 0.00 0.00 176.55 177.32 3kir h SER 8 N -0.84 0.00 -0.16 4.38 4.64 -1.96 -3.47 113.55 116.14 3kir h SER 8 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3kir h SER 8 Cb 0.47 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3kir h SER 8 CO 0.00 0.73 -0.03 0.61 -0.87 0.00 0.00 176.83 177.27 3kir n GLY 9 N 1.06 0.34 3.66 -0.77 0.00 -0.19 -4.99 105.19 104.30 3kir n GLY 9 Ca 0.00 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.73 3kir n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 10 N -3.76 4.24 0.31 1.61 1.02 -1.26 -4.71 119.74 117.19 3kir s LYS 10 Ca 0.00 1.65 0.08 0.00 0.02 0.00 0.00 55.97 57.72 3kir s LYS 10 Cb 0.00 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3kir s LYS 10 CO 0.00 -0.69 0.18 -0.98 -0.92 0.00 0.00 175.35 172.94 3kir s ARG 11 N 3.39 2.59 0.27 1.68 1.70 -1.26 -2.10 118.95 125.23 3kir s ARG 11 Ca 0.54 -1.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.17 3kir s ARG 11 Cb -0.22 -2.35 -0.10 0.00 -0.57 0.00 0.00 34.95 31.71 3kir s ARG 11 CO 0.15 0.22 1.39 -1.25 -1.08 0.00 0.00 175.30 174.72 3kir s PRO 12 N -3.86 4.30 0.32 3.89 0.04 -1.26 -4.74 135.00 133.69 3kir s PRO 12 Ca 0.36 2.26 0.07 0.00 0.04 0.00 0.00 61.00 63.74 3kir s PRO 12 Cb -0.05 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3kir s PRO 12 CO 0.24 -0.34 0.27 0.96 0.04 0.00 0.00 177.00 178.16 3kir s ILE 13 N -0.35 3.64 0.13 0.56 -4.36 -1.00 -4.94 121.20 114.90 3kir s ILE 13 Ca 0.56 -1.40 -0.05 0.00 -0.26 0.00 0.00 60.65 59.50 3kir s ILE 13 Cb -0.41 -3.20 -0.06 0.00 1.25 0.00 0.00 42.46 40.04 3kir s ILE 13 CO 0.46 -0.20 0.37 -0.69 0.24 0.00 0.00 174.94 175.12 3kir s VAL 14 N -2.29 5.17 -0.10 8.37 1.01 -1.26 -0.94 120.40 130.35 3kir s VAL 14 Ca 0.39 0.06 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 3kir s VAL 14 Cb -0.06 -3.62 0.07 0.00 0.00 0.00 0.00 36.38 32.76 3kir s VAL 14 CO 0.26 0.06 0.65 0.00 0.00 0.00 0.00 175.10 176.08 3kir s ALA 15 N -1.63 -1.68 0.07 5.51 0.00 0.32 -4.86 121.76 119.49 3kir s ALA 15 Ca 0.40 1.41 -0.25 0.00 0.00 0.00 0.00 51.96 53.52 3kir s ALA 15 Cb -0.12 -0.30 -0.06 0.00 0.00 0.00 0.00 23.12 22.64 3kir s ALA 15 CO 0.24 -0.35 0.77 -0.80 0.00 0.00 0.00 175.76 175.62 3kir s ASN 16 N -0.78 7.25 -0.49 0.00 0.01 -1.26 -0.66 114.94 119.01 3kir s ASN 16 Ca -0.08 1.49 -0.16 0.00 -0.71 0.00 0.00 52.86 53.40 3kir s ASN 16 Cb -0.02 -2.48 0.08 0.00 0.41 0.00 0.00 41.25 39.25 3kir s ASN 16 CO 0.07 0.06 0.45 -0.55 -1.51 0.00 0.00 177.10 175.61 3kir s SER 17 N -0.29 6.16 -0.05 -1.22 0.15 0.46 -4.94 113.70 113.98 3kir s SER 17 Ca 0.38 -1.37 -0.12 0.00 0.70 0.00 0.00 55.95 55.54 3kir s SER 17 Cb -0.21 -2.20 -0.05 0.00 -1.71 0.00 0.00 66.02 61.85 3kir s SER 17 CO 0.24 -0.72 0.30 -0.63 1.20 0.00 0.00 173.24 173.62 3kir s ILE 18 N 1.76 5.22 -0.22 6.45 1.01 -1.26 -1.89 121.20 132.28 3kir s ILE 18 Ca 0.05 0.58 -0.03 0.00 0.00 0.00 0.00 60.65 61.25 3kir s ILE 18 Cb -0.25 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 3kir s ILE 18 CO 0.06 0.59 -0.07 -1.10 0.00 0.00 0.00 174.94 174.42 3kir s GLN 19 N -1.08 3.26 0.36 2.79 -1.52 0.73 -5.01 119.66 119.20 3kir s GLN 19 Ca 0.20 -0.69 0.08 0.00 -1.95 0.00 0.00 55.36 53.01 3kir s GLN 19 Cb -0.15 -2.92 -0.06 0.00 -0.22 0.00 0.00 33.01 29.66 3kir s GLN 19 CO 0.10 -0.22 0.04 1.03 -0.25 0.00 0.00 175.29 175.99 3kir s ARG 20 N 1.43 2.07 -0.41 2.91 0.52 -1.26 0.13 118.95 124.34 3kir s ARG 20 Ca 0.05 -1.84 0.01 0.00 -0.52 0.00 0.00 55.73 53.44 3kir s ARG 20 Cb -0.14 -1.88 0.19 0.00 0.52 0.00 0.00 34.95 33.64 3kir s ARG 20 CO -0.05 0.06 0.85 0.50 0.02 0.00 0.00 175.30 176.68 3kir s ARG 21 N -3.74 0.64 -0.14 3.54 3.52 0.94 -4.75 118.95 118.95 3kir s ARG 21 Ca 0.36 -0.47 -0.34 0.00 -0.13 0.00 0.00 55.73 55.14 3kir s ARG 21 Cb 0.02 0.01 0.14 0.00 -1.56 0.00 0.00 34.95 33.56 3kir s ARG 21 CO 0.20 -0.84 1.32 0.20 -0.81 0.00 0.00 175.30 175.37 3kir s GLY 22 N 1.35 -0.35 -0.20 8.12 0.00 -1.26 -3.81 107.32 111.17 3kir s GLY 22 Ca 0.22 1.28 -0.24 0.00 0.00 0.00 0.00 44.72 45.98 3kir s GLY 22 CO -0.09 0.37 0.78 1.25 0.00 0.00 0.00 173.10 175.41 3kir s LYS 23 N -2.25 4.24 0.70 2.90 2.20 -1.21 -4.66 119.74 121.66 3kir s LYS 23 Ca 0.12 0.90 -0.17 0.00 -0.36 0.00 0.00 55.97 56.46 3kir s LYS 23 Cb 0.02 -3.60 -0.09 0.00 -1.51 0.00 0.00 37.83 32.66 3kir s LYS 23 CO -0.04 -0.38 0.17 0.00 -0.36 0.00 0.00 175.35 174.74 3kir n ALA 24 N 5.47 -2.47 0.19 3.13 0.00 -1.26 -3.06 120.51 122.51 3kir n ALA 24 Ca 0.03 -0.24 0.06 0.00 0.00 0.00 0.00 53.44 53.29 3kir n ALA 24 Cb 0.49 -1.64 0.33 0.00 0.00 0.00 0.00 19.45 18.63 3kir n ALA 24 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kir h LYS 25 N -0.34 0.00 -0.47 0.00 3.64 -1.87 -2.34 116.57 115.19 3kir h LYS 25 Ca -0.44 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.05 3kir h LYS 25 Cb 1.37 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.17 3kir h LYS 25 CO 0.40 0.35 0.33 -0.09 -2.27 0.00 0.00 179.45 178.17 3kir h ARG 26 N 0.00 0.14 0.00 1.90 2.43 -1.93 -3.40 114.38 113.51 3kir h ARG 26 Ca -0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3kir h ARG 26 Cb 0.92 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3kir h ARG 26 CO 0.05 0.09 0.00 0.39 -1.51 0.00 0.00 179.97 178.98 3kir n GLU 27 N -4.44 1.34 0.00 0.20 1.02 -1.03 -5.00 120.64 112.73 3kir n GLU 27 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 3kir n GLU 27 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 3kir n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kir n GLY 28 N 5.00 -1.14 0.00 0.62 0.00 -1.24 -4.90 105.19 103.53 3kir n GLY 28 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3kir n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kir n GLY 29 N -0.89 0.02 4.89 -0.02 0.00 -0.91 -4.96 105.19 103.33 3kir n GLY 29 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.76 3kir n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kir n VAL 30 N 9.00 0.00 0.00 1.61 0.24 -1.26 -4.29 118.33 123.63 3kir n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3kir n VAL 30 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3kir n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kir n GLY 31 N 0.00 1.18 3.81 7.63 0.00 -1.17 -4.96 105.19 111.68 3kir n GLY 31 Ca 0.00 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.58 3kir n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 32 N -1.34 2.93 -0.00 1.61 1.02 -1.26 -3.32 119.74 119.38 3kir s LYS 32 Ca 0.00 -0.93 0.06 0.00 0.02 0.00 0.00 55.97 55.12 3kir s LYS 32 Cb 0.00 -2.62 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 3kir s LYS 32 CO 0.00 0.45 -0.19 0.15 -0.92 0.00 0.00 175.35 174.84 3kir s LYS 33 N -3.40 1.52 -0.45 1.68 -0.14 -1.25 -4.90 119.74 112.80 3kir s LYS 33 Ca 0.32 -0.73 -0.24 0.00 -1.36 0.00 0.00 55.97 53.95 3kir s LYS 33 Cb -0.09 -1.50 0.03 0.00 -1.68 0.00 0.00 37.83 34.59 3kir s LYS 33 CO 0.24 0.40 0.84 0.99 -0.76 0.00 0.00 175.35 177.06 3kir s THR 34 N -0.52 4.59 -0.67 2.17 2.01 -1.26 -0.04 115.64 121.91 3kir s THR 34 Ca 0.07 0.57 0.25 0.00 0.31 0.00 0.00 61.69 62.90 3kir s THR 34 Cb -0.08 -4.36 0.14 0.00 0.01 0.00 0.00 72.50 68.21 3kir s THR 34 CO -0.00 -0.74 1.49 1.07 -0.69 0.00 0.00 174.62 175.74 3kir n THR 35 N 6.22 0.45 0.00 -0.82 5.66 0.35 -4.94 114.28 121.20 3kir n THR 35 Ca 0.04 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 3kir n THR 35 Cb 0.48 -0.30 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 3kir n THR 35 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kir n GLY 36 N 1.33 1.41 3.03 1.09 0.00 -0.93 -4.97 105.19 106.13 3kir n GLY 36 Ca 0.04 0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3kir n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kir s ILE 37 N -1.03 1.73 0.17 -0.61 1.01 -1.26 -0.19 121.20 121.01 3kir s ILE 37 Ca 0.00 -0.94 0.07 0.00 0.00 0.00 0.00 60.65 59.78 3kir s ILE 37 Cb 0.00 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3kir s ILE 37 CO 0.00 0.29 -0.02 -0.55 0.00 0.00 0.00 174.94 174.66 3kir s SER 38 N 1.38 4.69 -0.28 3.58 0.15 -0.79 -4.95 113.70 117.48 3kir s SER 38 Ca 0.01 -0.41 -0.11 0.00 0.70 0.00 0.00 55.95 56.14 3kir s SER 38 Cb -0.15 -0.98 -0.05 0.00 -1.71 0.00 0.00 66.02 63.14 3kir s SER 38 CO -0.09 0.10 0.20 -0.75 1.20 0.00 0.00 173.24 173.89 3kir s LYS 39 N -2.86 3.94 0.22 5.44 2.47 -1.26 -0.40 119.74 127.29 3kir s LYS 39 Ca 0.27 -0.32 -0.00 0.00 -1.56 0.00 0.00 55.97 54.36 3kir s LYS 39 Cb -0.09 -3.66 -0.04 0.00 -1.46 0.00 0.00 37.83 32.58 3kir s LYS 39 CO 0.18 -0.19 0.17 -0.98 0.16 0.00 0.00 175.35 174.69 3kir s ARG 40 N 1.77 1.30 0.08 4.03 1.04 0.16 -4.95 118.95 122.38 3kir s ARG 40 Ca 0.07 -1.68 0.10 0.00 -1.04 0.00 0.00 55.73 53.18 3kir s ARG 40 Cb -0.16 0.29 -0.03 0.00 -2.04 0.00 0.00 34.95 33.00 3kir s ARG 40 CO 0.11 -0.44 -0.26 -0.98 -0.04 0.00 0.00 175.30 173.69 3kir s ARG 41 N -4.03 1.65 -0.22 3.89 1.70 -1.26 0.12 118.95 120.80 3kir s ARG 41 Ca 0.39 -1.20 -0.07 0.00 -0.47 0.00 0.00 55.73 54.37 3kir s ARG 41 Cb 0.06 -1.96 -0.03 0.00 -0.57 0.00 0.00 34.95 32.45 3kir s ARG 41 CO 0.14 0.49 0.07 -0.65 -1.08 0.00 0.00 175.30 174.27 3kir s GLN 42 N -1.59 3.79 0.08 3.89 -0.21 -0.12 -4.92 119.66 120.59 3kir s GLN 42 Ca 0.13 -0.42 -0.09 0.00 0.02 0.00 0.00 55.36 55.00 3kir s GLN 42 Cb -0.10 -3.27 -0.06 0.00 1.00 0.00 0.00 33.01 30.58 3kir s GLN 42 CO 0.04 0.02 0.38 0.71 -2.12 0.00 0.00 175.29 174.32 3kir s TYR 43 N 1.06 3.57 0.09 0.91 1.51 -1.26 -2.38 117.35 120.85 3kir s TYR 43 Ca 0.04 0.72 -0.31 0.00 -1.01 0.00 0.00 57.07 56.52 3kir s TYR 43 Cb -0.14 -2.11 -0.08 0.00 -0.11 0.00 0.00 41.96 39.51 3kir s TYR 43 CO 0.03 0.52 1.52 -2.14 -1.11 0.00 0.00 175.55 174.37 3kir s PRO 44 N -1.99 4.25 -1.17 -1.71 0.02 -1.26 -4.88 135.00 128.26 3kir s PRO 44 Ca 0.33 2.21 -0.24 0.00 0.02 0.00 0.00 61.00 63.33 3kir s PRO 44 Cb -0.14 -3.39 -0.12 0.00 0.02 0.00 0.00 34.50 30.88 3kir s PRO 44 CO 0.19 -0.60 1.97 -1.71 -0.33 0.00 0.00 177.00 176.52 3kir n ASN 45 N 4.71 2.70 -4.70 2.53 4.05 -1.26 -4.87 115.26 118.41 3kir n ASN 45 Ca 0.14 -2.65 -0.30 0.00 0.45 0.00 0.00 54.58 52.21 3kir n ASN 45 Cb 0.41 -1.74 -0.08 0.00 1.23 0.00 0.00 39.78 39.60 3kir n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 3kir s LEU 46 N 12.46 3.53 0.00 1.20 -0.00 -1.26 0.38 118.68 134.99 3kir s LEU 46 Ca 0.71 -0.15 0.02 0.00 -0.00 0.00 0.00 54.13 54.71 3kir s LEU 46 Cb -0.02 -2.25 -0.01 0.00 -0.00 0.00 0.00 46.19 43.92 3kir s LEU 46 CO 0.15 0.17 0.06 0.00 -0.00 0.00 0.00 176.35 176.72 3kir n GLN 47 N 0.51 0.86 -4.03 1.48 1.13 -0.76 -4.89 117.38 111.67 3kir n GLN 47 Ca -0.10 -1.48 -0.35 0.00 -1.94 0.00 0.00 57.00 53.13 3kir n GLN 47 Cb 0.52 0.76 -0.07 0.00 0.11 0.00 0.00 30.24 31.56 3kir n GLN 47 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3kir s LYS 48 N -2.67 3.26 -0.20 -1.09 3.01 -1.26 -2.26 119.74 118.53 3kir s LYS 48 Ca 0.08 -0.29 -0.04 0.00 -1.01 0.00 0.00 55.97 54.71 3kir s LYS 48 Cb 0.00 -3.02 0.07 0.00 -1.01 0.00 0.00 37.83 33.87 3kir s LYS 48 CO 0.06 0.72 0.07 0.08 0.51 0.00 0.00 175.35 176.79 3kir s VAL 49 N -1.08 0.20 0.09 3.17 1.01 -0.47 -4.95 120.40 118.37 3kir s VAL 49 Ca 0.18 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.67 3kir s VAL 49 Cb -0.12 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 3kir s VAL 49 CO 0.08 -0.33 0.32 -0.13 0.00 0.00 0.00 175.10 175.04 3kir s ARG 50 N 2.00 3.58 -0.09 2.72 0.52 -1.26 -0.58 118.95 125.84 3kir s ARG 50 Ca 0.02 -0.14 -0.26 0.00 -0.52 0.00 0.00 55.73 54.84 3kir s ARG 50 Cb -0.16 -2.96 0.06 0.00 0.52 0.00 0.00 34.95 32.41 3kir s ARG 50 CO -0.13 0.55 0.60 0.54 0.02 0.00 0.00 175.30 176.88 3kir s VAL 51 N -1.52 0.01 0.00 3.52 0.11 -1.06 -5.01 120.40 116.45 3kir s VAL 51 Ca 0.36 -0.09 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 3kir s VAL 51 Cb -0.13 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.83 3kir s VAL 51 CO 0.23 -0.05 0.00 0.54 -3.33 0.00 0.00 175.10 172.49 3kir n ARG 52 N 1.44 0.00 -2.27 1.54 5.12 -1.26 -4.27 116.66 116.96 3kir n ARG 52 Ca -0.18 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.70 3kir n ARG 52 Cb 0.56 -0.03 -0.03 0.00 -1.16 0.00 0.00 32.46 31.81 3kir n ARG 52 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3kir n VAL 53 N 0.00-10.76 0.00 1.55 0.31 -1.26 -4.27 118.33 103.90 3kir n VAL 53 Ca 0.00 2.24 0.00 0.00 -0.01 0.00 0.00 64.34 66.57 3kir n VAL 53 Cb 0.00 -5.77 0.00 0.00 -0.91 0.00 0.00 33.84 27.16 3kir n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kir n ALA 54 N 1.34 0.00 0.03 3.52 0.00 -1.26 -3.64 120.51 120.50 3kir n ALA 54 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3kir n ALA 54 Cb 0.40 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 3kir n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 55 N 0.00 0.71 0.00 0.00 0.00 -1.26 -5.05 105.19 99.58 3kir n GLY 55 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kir n GLY 55 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kir n GLN 56 N -0.91 1.79 -0.05 1.61 1.13 -1.24 -5.09 117.38 114.62 3kir n GLN 56 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 3kir n GLN 56 Cb 0.01 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.32 3kir n GLN 56 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3kir n GLU 57 N -0.25 0.21 -1.72 -1.09 2.13 -1.26 -4.59 120.64 114.07 3kir n GLU 57 Ca 0.00 0.08 0.00 0.00 0.66 0.00 0.00 57.16 57.90 3kir n GLU 57 Cb 0.00 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 30.77 3kir n GLU 57 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 3kir n ILE 58 N -3.23 -4.45 -4.87 6.31 -5.35 -1.26 -2.62 119.36 103.90 3kir n ILE 58 Ca -0.18 1.25 -0.30 0.00 -0.27 0.00 0.00 62.75 63.25 3kir n ILE 58 Cb 0.65 -2.14 -0.14 0.00 -1.74 0.00 0.00 39.64 36.26 3kir n ILE 58 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3kir s THR 59 N -0.50 2.25 -0.09 7.28 -4.23 -1.26 -2.58 115.64 116.51 3kir s THR 59 Ca 0.00 -1.35 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3kir s THR 59 Cb 0.00 -1.89 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 3kir s THR 59 CO 0.00 0.36 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.91 3kir s PHE 60 N -0.82 2.67 -0.65 3.99 0.08 0.26 -4.93 117.98 118.58 3kir s PHE 60 Ca 0.12 -0.56 -0.14 0.00 0.12 0.00 0.00 56.93 56.47 3kir s PHE 60 Cb -0.10 -1.72 0.17 0.00 -0.57 0.00 0.00 43.02 40.80 3kir s PHE 60 CO 0.03 -0.12 0.58 1.03 -0.10 0.00 0.00 175.22 176.64 3kir s ARG 61 N -0.07 3.15 0.06 0.44 1.81 -1.26 -1.36 118.95 121.72 3kir s ARG 61 Ca -0.04 -2.05 0.05 0.00 -1.72 0.00 0.00 55.73 51.97 3kir s ARG 61 Cb -0.14 -4.28 -0.03 0.00 -0.45 0.00 0.00 34.95 30.05 3kir s ARG 61 CO 0.04 -1.29 -0.13 0.54 -0.68 0.00 0.00 175.30 173.78 3kir s VAL 62 N 0.93 1.03 0.70 3.52 0.11 -0.96 -0.64 120.40 125.09 3kir s VAL 62 Ca 0.10 -1.22 -0.16 0.00 -2.93 0.00 0.00 61.98 57.77 3kir s VAL 62 Cb -0.21 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 3kir s VAL 62 CO -0.02 -0.20 0.58 0.00 -3.33 0.00 0.00 175.10 172.13 3kir n ALA 63 N 1.42 -1.29 0.24 1.54 0.00 -1.26 -1.83 120.51 119.33 3kir n ALA 63 Ca -0.21 -0.20 0.11 0.00 0.00 0.00 0.00 53.44 53.14 3kir n ALA 63 Cb 0.54 -1.88 0.59 0.00 0.00 0.00 0.00 19.45 18.70 3kir n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir h ALA 64 N -0.26 1.17 0.00 0.00 0.00 -0.42 -2.20 119.26 117.55 3kir h ALA 64 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kir h ALA 64 Cb 1.35 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 3kir h ALA 64 CO 0.44 0.24 0.00 -1.13 0.00 0.00 0.00 179.25 178.79 3kir n SER 65 N -3.56 0.00 -0.04 0.00 3.41 -1.26 -3.21 113.62 108.95 3kir n SER 65 Ca -0.01 0.34 0.02 0.00 -0.26 0.00 0.00 58.87 58.96 3kir n SER 65 Cb 0.33 -0.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.87 3kir n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kir n HIS 66 N -1.44 0.00 -0.35 7.33 -0.00 -0.84 -4.79 115.22 115.13 3kir n HIS 66 Ca 0.07 -0.46 0.06 0.00 -0.00 0.00 0.00 57.72 57.39 3kir n HIS 66 Cb 0.24 -0.06 0.22 0.00 -0.00 0.00 0.00 29.99 30.39 3kir n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 3kir h ILE 67 N 0.98 0.93 0.00 1.59 2.04 -1.49 0.77 117.51 122.32 3kir h ILE 67 Ca 0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3kir h ILE 67 Cb 0.73 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 3kir h ILE 67 CO 0.00 0.18 0.00 -0.81 0.00 0.00 0.00 178.15 177.52 3kir n PRO 68 N -4.64 0.19 0.16 2.37 -0.04 -1.26 -2.06 135.00 129.72 3kir n PRO 68 Ca 0.17 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 64.03 3kir n PRO 68 Cb 0.32 -1.83 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 3kir n PRO 68 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3kir h LYS 69 N 0.00 0.00 -0.06 0.54 1.63 -1.19 -2.67 116.57 114.82 3kir h LYS 69 Ca 0.00 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.72 3kir h LYS 69 Cb 0.43 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 3kir h LYS 69 CO 0.00 0.46 -0.26 0.28 -3.45 0.00 0.00 179.45 176.48 3kir h VAL 70 N 0.00 1.44 0.00 2.00 2.07 -1.31 -1.77 116.25 118.69 3kir h VAL 70 Ca -0.00 -1.69 -0.01 0.00 0.82 0.00 0.00 66.70 65.81 3kir h VAL 70 Cb 1.15 2.37 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 3kir h VAL 70 CO 0.06 0.48 -0.07 1.88 0.02 0.00 0.00 177.57 179.94 3kir h TYR 71 N -0.25 0.00 0.00 1.57 -1.99 -1.54 0.29 116.97 115.05 3kir h TYR 71 Ca -0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.71 3kir h TYR 71 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 3kir h TYR 71 CO 0.13 0.07 -0.44 1.49 -0.00 0.00 0.00 178.16 179.42 3kir h GLU 72 N 0.00 0.00 0.10 4.88 4.22 -1.41 -3.11 114.58 119.27 3kir h GLU 72 Ca -0.00 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.17 3kir h GLU 72 Cb 0.23 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 3kir h GLU 72 CO 0.01 0.00 -1.17 1.25 -2.18 0.00 0.00 179.01 176.92 3kir h LEU 73 N 0.00 0.57 -0.24 1.64 7.12 0.43 -3.03 115.31 121.80 3kir h LEU 73 Ca 0.00 -0.55 -0.01 0.00 0.13 0.00 0.00 57.88 57.45 3kir h LEU 73 Cb 0.98 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 3kir h LEU 73 CO 0.00 1.39 0.10 0.58 -0.13 0.00 0.00 178.44 180.38 3kir h VAL 74 N 0.17 1.16 -0.39 1.05 2.07 -1.18 -2.26 116.25 116.88 3kir h VAL 74 Ca -0.14 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 66.99 3kir h VAL 74 Cb 1.85 1.03 -0.09 0.00 -1.52 0.00 0.00 31.29 32.56 3kir h VAL 74 CO 0.20 0.16 -0.31 -0.08 0.02 0.00 0.00 177.57 177.56 3kir h GLU 75 N 0.24 -0.24 0.00 1.57 4.57 -1.54 0.44 114.58 119.62 3kir h GLU 75 Ca 0.08 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3kir h GLU 75 Cb 0.16 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 3kir h GLU 75 CO -0.01 -0.16 0.00 0.54 -1.18 0.00 0.00 179.01 178.20 3kir n ARG 76 N -5.41 0.03 0.00 1.92 1.74 -1.15 -2.16 116.66 111.63 3kir n ARG 76 Ca 0.01 0.11 0.14 0.00 -0.77 0.00 0.00 57.85 57.35 3kir n ARG 76 Cb 0.33 -1.50 0.69 0.00 -1.02 0.00 0.00 32.46 30.97 3kir n ARG 76 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir n ALA 77 N -1.48 2.47 0.06 7.54 0.00 0.13 -3.24 120.51 125.98 3kir n ALA 77 Ca 0.06 -0.14 -0.05 0.00 0.00 0.00 0.00 53.44 53.31 3kir n ALA 77 Cb 0.26 -1.47 0.14 0.00 0.00 0.00 0.00 19.45 18.38 3kir n ALA 77 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kir h LYS 78 N 0.03 0.36 -1.43 0.00 3.64 -1.27 -3.03 116.57 114.87 3kir h LYS 78 Ca 0.00 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 59.02 3kir h LYS 78 Cb 0.37 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 32.12 3kir h LYS 78 CO 0.00 0.77 0.21 0.41 -2.27 0.00 0.00 179.45 178.57 3kir n GLY 79 N 0.06 3.08 3.01 5.01 0.00 -1.20 -4.82 105.19 110.34 3kir n GLY 79 Ca -0.02 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.35 3kir n GLY 79 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 80 N -0.95 2.04 -0.51 0.99 1.43 -1.15 -5.10 118.68 115.44 3kir s LEU 80 Ca 0.16 -0.19 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 3kir s LEU 80 Cb 0.13 -0.39 0.04 0.00 0.03 0.00 0.00 46.19 46.01 3kir s LEU 80 CO 0.01 0.07 0.77 -0.75 0.23 0.00 0.00 176.35 176.68 3kir s LYS 81 N -0.35 3.25 -0.24 1.70 2.20 -1.26 -4.99 119.74 120.04 3kir s LYS 81 Ca 0.02 -0.50 -0.04 0.00 -0.36 0.00 0.00 55.97 55.09 3kir s LYS 81 Cb -0.04 -4.05 0.13 0.00 -1.51 0.00 0.00 37.83 32.36 3kir s LYS 81 CO -0.00 -1.30 0.42 -0.48 -0.36 0.00 0.00 175.35 173.64 3kir s LEU 82 N 3.25 -0.75 0.00 5.43 2.34 -1.26 -5.11 118.68 122.58 3kir s LEU 82 Ca 0.24 0.53 0.00 0.00 0.06 0.00 0.00 54.13 54.96 3kir s LEU 82 Cb -0.15 1.34 0.00 0.00 -0.56 0.00 0.00 46.19 46.82 3kir s LEU 82 CO 0.17 -0.28 0.00 -0.62 -1.06 0.00 0.00 176.35 174.56 3kir n GLU 83 N 5.38 0.00 -1.49 1.48 4.71 -1.26 -4.84 120.64 124.62 3kir n GLU 83 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.10 3kir n GLU 83 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.93 3kir n GLU 83 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3kir n GLY 84 N 0.54 -4.54 3.57 0.62 0.00 -1.26 -4.42 105.19 99.70 3kir n GLY 84 Ca 0.00 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.13 3kir n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kir s LEU 85 N -3.30 2.57 -0.41 0.99 1.43 -1.26 -4.46 118.68 114.24 3kir s LEU 85 Ca 0.00 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.33 3kir s LEU 85 Cb 0.00 -2.58 0.29 0.00 0.03 0.00 0.00 46.19 43.93 3kir s LEU 85 CO 0.00 -4.32 1.15 -1.54 0.23 0.00 0.00 176.35 171.87 3kir n SER 86 N 18.69 -2.05 0.23 2.29 3.41 -1.26 -4.97 113.62 129.96 3kir n SER 86 Ca 0.43 -2.87 0.16 0.00 -0.26 0.00 0.00 58.87 56.33 3kir n SER 86 Cb 0.46 1.53 0.84 0.00 -0.26 0.00 0.00 64.21 66.78 3kir n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 3kir h PRO 87 N 3.08 0.00 0.14 4.33 0.13 -1.90 -1.13 132.00 136.65 3kir h PRO 87 Ca -0.19 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3kir h PRO 87 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3kir h PRO 87 CO 0.10 0.00 -0.10 -0.22 -0.23 0.00 0.00 178.00 177.54 3kir h LYS 88 N 0.00 -0.24 0.00 0.86 3.11 -1.96 -2.66 116.57 115.69 3kir h LYS 88 Ca 0.06 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.91 3kir h LYS 88 Cb 0.32 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 3kir h LYS 88 CO -0.00 -0.16 0.00 0.93 -2.81 0.00 0.00 179.45 177.41 3kir h GLU 89 N -0.25 0.00 -0.42 1.90 5.08 -1.63 -2.92 114.58 116.35 3kir h GLU 89 Ca -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3kir h GLU 89 Cb 0.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3kir h GLU 89 CO -0.00 0.00 0.14 0.82 -1.00 0.00 0.00 179.01 178.97 3kir h ILE 90 N 0.00 1.21 0.10 3.13 1.08 -1.07 0.33 117.51 122.28 3kir h ILE 90 Ca 0.00 -0.70 -0.00 0.00 -0.39 0.00 0.00 64.86 63.76 3kir h ILE 90 Cb 0.55 0.89 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3kir h ILE 90 CO 0.00 0.25 -0.05 0.50 -0.69 0.00 0.00 178.15 178.16 3kir h LYS 91 N 0.53 -0.12 -0.50 2.37 3.64 -1.46 -1.98 116.57 119.05 3kir h LYS 91 Ca 0.14 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.62 3kir h LYS 91 Cb 0.25 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 3kir h LYS 91 CO -0.01 0.05 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.83 3kir h LYS 92 N -0.28 -0.06 -0.22 1.90 1.63 -1.33 0.46 116.57 118.68 3kir h LYS 92 Ca -0.01 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 3kir h LYS 92 Cb 0.23 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3kir h LYS 92 CO 0.02 -0.04 0.15 0.93 -3.45 0.00 0.00 179.45 177.06 3kir h GLU 93 N -0.06 0.14 -5.58 1.90 4.39 -0.14 -3.37 114.58 111.86 3kir h GLU 93 Ca 0.24 -0.01 -0.25 0.00 0.34 0.00 0.00 59.36 59.68 3kir h GLU 93 Cb 0.43 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3kir h GLU 93 CO -0.54 0.09 0.77 -0.51 -1.16 0.00 0.00 179.01 177.66 3kir s LEU 94 N -9.13 3.12 0.00 1.33 1.43 0.16 -5.09 118.68 110.50 3kir s LEU 94 Ca -0.06 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3kir s LEU 94 Cb 0.18 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.86 3kir s LEU 94 CO 0.70 -3.19 0.00 -0.11 0.23 0.00 0.00 176.35 173.98