#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp n GLY 2 N 0.00 -2.45 0.22 8.20 0.00 -1.26 -4.73 105.19 105.17 2kjp n GLY 2 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2kjp n GLY 2 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kjp h ILE 3 N 0.00 1.23 -3.93 -0.61 2.04 -1.95 -3.43 117.51 110.86 2kjp h ILE 3 Ca 0.00 -0.81 -0.49 0.00 1.00 0.00 0.00 64.86 64.55 2kjp h ILE 3 Cb 0.00 0.92 0.02 0.00 -0.74 0.00 0.00 36.82 37.02 2kjp h ILE 3 CO 0.00 0.29 0.44 -0.31 0.00 0.00 0.00 178.15 178.57 2kjp s TYR 4 N -5.30 3.30 0.32 1.37 2.02 -1.26 -4.82 117.35 112.98 2kjp s TYR 4 Ca -0.13 1.64 -0.28 0.00 -0.37 0.00 0.00 57.07 57.93 2kjp s TYR 4 Cb 0.11 -3.21 -0.09 0.00 -0.40 0.00 0.00 41.96 38.37 2kjp s TYR 4 CO 0.78 -0.73 1.11 0.00 -1.57 0.00 0.00 175.55 175.14 2kjp s ALA 5 N -1.51 3.32 -0.16 3.71 0.00 -1.25 -3.95 121.76 121.92 2kjp s ALA 5 Ca 0.55 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.44 2kjp s ALA 5 Cb -0.26 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.41 2kjp s ALA 5 CO 0.32 -0.25 -0.10 -1.13 0.00 0.00 0.00 175.76 174.60 2kjp n SER 6 N 0.78 2.48 -3.60 0.00 3.41 -1.26 0.72 113.62 116.14 2kjp n SER 6 Ca 0.01 -0.07 -0.05 0.00 -0.26 0.00 0.00 58.87 58.50 2kjp n SER 6 Cb 0.46 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2kjp n SER 6 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2kjp s SER 7 N -5.34 -0.22 0.04 4.04 1.04 -1.26 -4.77 113.70 107.22 2kjp s SER 7 Ca -0.18 -0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.14 2kjp s SER 7 Cb 0.05 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2kjp s SER 7 CO 0.42 -0.54 -0.05 0.68 0.98 0.00 0.00 173.24 174.73 2kjp s VAL 8 N -2.88 0.33 0.18 5.02 -7.23 -1.26 -4.97 120.40 109.59 2kjp s VAL 8 Ca 0.09 -1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 58.82 2kjp s VAL 8 Cb -0.00 -0.73 -0.08 0.00 0.56 0.00 0.00 36.38 36.13 2kjp s VAL 8 CO -0.05 -0.58 0.71 0.68 -0.31 0.00 0.00 175.10 175.55 2kjp s VAL 9 N -2.07 4.53 0.64 1.32 -7.23 -1.26 -5.02 120.40 111.31 2kjp s VAL 9 Ca -0.07 1.41 -0.18 0.00 -1.81 0.00 0.00 61.98 61.33 2kjp s VAL 9 Cb -0.05 -3.96 -0.14 0.00 0.56 0.00 0.00 36.38 32.79 2kjp s VAL 9 CO -0.02 0.38 -0.19 1.21 -0.31 0.00 0.00 175.10 176.16 2kjp n GLU 10 N 1.19 0.05 0.00 4.82 2.13 -1.26 -4.41 120.64 123.17 2kjp n GLU 10 Ca -0.05 0.02 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2kjp n GLU 10 Cb 0.50 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.10 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2kjp n ASN 11 N 2.37 0.00 -0.04 4.31 5.15 -1.26 -5.00 115.26 120.79 2kjp n ASN 11 Ca 0.06 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.04 2kjp n ASN 11 Cb 0.49 0.00 -0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2kjp n ASN 11 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2kjp n MET 12 N 1.88 -0.11 0.01 1.20 2.81 -1.26 -4.40 117.12 117.24 2kjp n MET 12 Ca 0.00 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.98 2kjp n MET 12 Cb 0.00 -0.12 0.02 0.00 -0.71 0.00 0.00 33.22 32.41 2kjp n MET 12 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2kjp n PRO 13 N -1.72 0.00 0.00 0.03 -0.04 -1.26 -4.61 135.00 127.40 2kjp n PRO 13 Ca -0.00 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.70 2kjp n PRO 13 Cb 0.02 -1.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.67 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kjp n ALA 14 N -1.24 0.00 -2.14 0.55 0.00 -1.22 -4.18 120.51 112.28 2kjp n ALA 14 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2kjp n ALA 14 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 2kjp n ALA 14 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2kjp s LYS 15 N 0.00 3.31 0.00 0.00 2.20 -1.26 -2.45 119.74 121.53 2kjp s LYS 15 Ca 0.00 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.70 2kjp s LYS 15 Cb 0.00 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 2kjp s LYS 15 CO 0.00 -1.90 0.00 0.41 -0.36 0.00 0.00 175.35 173.50 2kjp n GLY 16 N 5.35 1.98 2.78 5.54 0.00 -1.26 -5.01 105.19 114.57 2kjp n GLY 16 Ca 0.20 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 2kjp n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 17 N 0.00 0.90 0.08 1.61 2.20 -1.03 -4.67 119.74 118.84 2kjp s LYS 17 Ca 0.00 -0.68 0.09 0.00 -0.36 0.00 0.00 55.97 55.02 2kjp s LYS 17 Cb 0.00 -2.21 -0.03 0.00 -1.51 0.00 0.00 37.83 34.08 2kjp s LYS 17 CO 0.00 -0.69 -0.24 -1.50 -0.36 0.00 0.00 175.35 172.56 2kjp s ILE 18 N 1.70 1.97 -0.25 5.43 2.07 -1.25 -3.46 121.20 127.42 2kjp s ILE 18 Ca -0.00 -1.49 -0.03 0.00 -1.41 0.00 0.00 60.65 57.72 2kjp s ILE 18 Cb -0.18 -1.73 0.11 0.00 0.13 0.00 0.00 42.46 40.79 2kjp s ILE 18 CO -0.11 0.15 0.21 -1.61 -1.91 0.00 0.00 174.94 171.68 2kjp s GLU 19 N -1.62 0.22 -0.50 3.50 8.01 -1.26 -4.94 118.70 122.11 2kjp s GLU 19 Ca 0.10 -0.08 0.06 0.00 0.01 0.00 0.00 54.97 55.07 2kjp s GLU 19 Cb -0.10 -1.08 0.22 0.00 -4.31 0.00 0.00 34.13 28.87 2kjp s GLU 19 CO 0.04 -0.85 0.84 0.28 0.01 0.00 0.00 175.26 175.58 2kjp n VAL 20 N 5.30 0.00 0.00 2.63 0.31 -1.26 -4.38 118.33 120.93 2kjp n VAL 20 Ca -0.05 -1.34 0.00 0.00 -0.01 0.00 0.00 64.34 62.94 2kjp n VAL 20 Cb 0.47 1.35 0.00 0.00 -0.91 0.00 0.00 33.84 34.74 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kjp n GLY 21 N 2.04 2.91 3.53 2.92 0.00 0.22 -4.93 105.19 111.87 2kjp n GLY 21 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2kjp n GLY 21 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjp n ASP 22 N 0.00 -0.95 -4.53 1.61 8.00 -1.26 -4.59 116.55 114.83 2kjp n ASP 22 Ca 0.00 0.20 -0.34 0.00 0.71 0.00 0.00 54.79 55.36 2kjp n ASP 22 Cb 0.00 -1.32 -0.12 0.00 -0.02 0.00 0.00 41.12 39.67 2kjp n ASP 22 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kjp s LYS 23 N -4.25 3.35 -0.32 -1.24 1.02 -1.26 -3.89 119.74 113.14 2kjp s LYS 23 Ca 0.64 -0.53 -0.10 0.00 0.02 0.00 0.00 55.97 56.00 2kjp s LYS 23 Cb -0.22 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2kjp s LYS 23 CO 0.63 0.39 0.17 0.96 -0.92 0.00 0.00 175.35 176.58 2kjp s ILE 24 N -0.06 4.70 0.05 2.17 -0.00 -1.26 -3.27 121.20 123.54 2kjp s ILE 24 Ca 0.01 -0.43 -0.21 0.00 -0.00 0.00 0.00 60.65 60.02 2kjp s ILE 24 Cb -0.13 -3.42 -0.13 0.00 -0.00 0.00 0.00 42.46 38.78 2kjp s ILE 24 CO 0.03 0.03 1.47 0.40 -0.00 0.00 0.00 174.94 176.87 2kjp h ILE 25 N 5.65 1.26 -1.74 8.37 2.04 -1.88 -3.48 117.51 127.73 2kjp h ILE 25 Ca -0.31 -0.88 0.26 0.00 1.00 0.00 0.00 64.86 64.93 2kjp h ILE 25 Cb 1.14 1.56 -0.12 0.00 -0.74 0.00 0.00 36.82 38.67 2kjp h ILE 25 CO 0.62 0.26 0.71 -0.55 0.00 0.00 0.00 178.15 179.19 2kjp s SER 26 N -5.79 -0.12 -0.02 1.72 0.15 -1.26 -4.59 113.70 103.79 2kjp s SER 26 Ca -0.14 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.36 2kjp s SER 26 Cb 0.06 0.26 -0.00 0.00 -1.71 0.00 0.00 66.02 64.62 2kjp s SER 26 CO 0.72 -0.48 -0.12 0.00 1.20 0.00 0.00 173.24 174.56 2kjp s ALA 27 N -2.70 1.07 -0.98 5.45 0.00 -1.17 -2.99 121.76 120.44 2kjp s ALA 27 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 2kjp s ALA 27 Cb 0.02 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2kjp s ALA 27 CO -0.03 0.22 0.11 -0.40 0.00 0.00 0.00 175.76 175.66 2kjp n ASP 28 N 3.03 -3.53 0.00 0.00 5.75 -0.88 0.50 116.55 121.42 2kjp n ASP 28 Ca -0.16 0.10 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 2kjp n ASP 28 Cb 0.55 -3.00 0.00 0.00 -1.03 0.00 0.00 41.12 37.64 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kjp n GLY 29 N -0.85 0.41 3.54 6.12 0.00 -1.26 -4.97 105.19 108.17 2kjp n GLY 29 Ca -0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 2kjp n GLY 29 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kjp s LYS 30 N -0.67 3.49 0.81 1.61 2.20 0.18 -5.07 119.74 122.29 2kjp s LYS 30 Ca 0.00 -0.44 -0.11 0.00 -0.36 0.00 0.00 55.97 55.06 2kjp s LYS 30 Cb 0.00 -3.83 0.08 0.00 -1.51 0.00 0.00 37.83 32.57 2kjp s LYS 30 CO 0.00 -0.59 1.09 -0.80 -0.36 0.00 0.00 175.35 174.69 2kjp s ASN 31 N 1.75 4.18 -0.04 1.43 0.02 -1.26 -3.03 114.94 117.99 2kjp s ASN 31 Ca 0.13 1.71 -0.01 0.00 -1.02 0.00 0.00 52.86 53.67 2kjp s ASN 31 Cb -0.16 -2.40 0.03 0.00 0.02 0.00 0.00 41.25 38.73 2kjp s ASN 31 CO 0.12 -2.22 0.02 -0.31 0.02 0.00 0.00 177.10 174.73 2kjp s TYR 32 N -2.92 0.25 0.06 2.20 2.02 -1.26 -4.98 117.35 112.72 2kjp s TYR 32 Ca 0.62 0.07 -0.12 0.00 -0.37 0.00 0.00 57.07 57.26 2kjp s TYR 32 Cb -0.17 -0.46 -0.29 0.00 -0.40 0.00 0.00 41.96 40.63 2kjp s TYR 32 CO 0.56 -0.17 1.10 0.37 -1.57 0.00 0.00 175.55 175.84 2kjp h GLN 33 N 7.75 0.52 -3.79 -0.62 4.15 -1.98 -3.47 115.11 117.67 2kjp h GLN 33 Ca -0.31 -0.77 -0.12 0.00 0.77 0.00 0.00 58.65 58.22 2kjp h GLN 33 Cb 1.13 0.27 -0.17 0.00 0.21 0.00 0.00 27.48 28.91 2kjp h GLN 33 CO 0.35 1.35 -0.50 -1.12 -1.93 0.00 0.00 178.83 176.98 2kjp s SER 34 N -7.40 0.17 0.43 -0.69 0.01 -1.26 -5.04 113.70 99.91 2kjp s SER 34 Ca -0.08 -0.54 0.22 0.00 1.31 0.00 0.00 55.95 56.85 2kjp s SER 34 Cb 0.06 0.24 1.19 0.00 0.21 0.00 0.00 66.02 67.72 2kjp s SER 34 CO 0.92 -0.54 1.79 0.00 0.41 0.00 0.00 173.24 175.82 2kjp h ALA 35 N 3.52 2.39 -0.63 1.44 0.00 -1.91 0.35 119.26 124.42 2kjp h ALA 35 Ca -0.33 0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.71 2kjp h ALA 35 Cb 1.18 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2kjp h ALA 35 CO 0.51 -0.77 0.27 1.49 0.00 0.00 0.00 179.25 180.75 2kjp h GLU 36 N 0.32 0.46 -0.23 0.00 4.81 -1.96 -1.65 114.58 116.33 2kjp h GLU 36 Ca 0.57 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.76 2kjp h GLU 36 Cb 1.61 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 2kjp h GLU 36 CO -0.23 0.30 0.07 0.87 -0.73 0.00 0.00 179.01 179.29 2kjp h LYS 37 N 0.47 0.36 -0.30 1.92 6.56 -1.34 -0.86 116.57 123.38 2kjp h LYS 37 Ca 0.31 -0.08 0.06 0.00 -1.06 0.00 0.00 60.65 59.88 2kjp h LYS 37 Cb 0.35 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 31.90 2kjp h LYS 37 CO -0.28 0.45 -0.05 1.25 -2.06 0.00 0.00 179.45 178.75 2kjp h LEU 38 N 0.20 -0.23 -0.33 2.94 5.85 -1.28 0.37 115.31 122.82 2kjp h LEU 38 Ca 0.07 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kjp h LEU 38 Cb 0.24 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2kjp h LEU 38 CO -0.00 -0.08 0.14 0.40 -0.34 0.00 0.00 178.44 178.56 2kjp h ILE 39 N 0.02 1.18 -0.25 4.05 2.04 -1.28 -2.35 117.51 120.92 2kjp h ILE 39 Ca 0.14 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.52 2kjp h ILE 39 Cb 0.21 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 2kjp h ILE 39 CO -0.29 0.19 0.03 -0.78 0.00 0.00 0.00 178.15 177.29 2kjp h ASP 40 N 0.38 -0.03 -0.01 1.72 3.58 -0.42 0.65 116.42 122.30 2kjp h ASP 40 Ca 0.11 0.05 0.02 0.00 0.42 0.00 0.00 57.03 57.63 2kjp h ASP 40 Cb 0.16 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.26 2kjp h ASP 40 CO -0.01 0.02 -0.14 0.22 -2.88 0.00 0.00 179.24 176.45 2kjp h TYR 41 N 0.12 -0.35 -0.18 0.28 3.20 -0.12 -2.82 116.97 117.10 2kjp h TYR 41 Ca 0.12 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2kjp h TYR 41 Cb 0.13 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2kjp h TYR 41 CO -0.17 -0.20 0.11 0.82 -1.64 0.00 0.00 178.16 177.07 2kjp h ILE 42 N -0.23 1.08 -3.48 1.81 2.04 -1.21 -3.45 117.51 114.08 2kjp h ILE 42 Ca 0.05 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.60 2kjp h ILE 42 Cb 0.29 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2kjp h ILE 42 CO -0.14 0.08 -0.12 -0.24 0.00 0.00 0.00 178.15 177.72 2kjp n SER 43 N -4.93 -1.95 -1.65 1.72 2.88 0.20 -3.02 113.62 106.87 2kjp n SER 43 Ca -0.04 0.28 -0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2kjp n SER 43 Cb 0.05 -1.86 -0.00 0.00 -0.75 0.00 0.00 64.21 61.65 2kjp n SER 43 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2kjp n SER 44 N -0.89 -2.64 -2.77 -3.46 7.64 -1.26 -5.05 113.62 105.19 2kjp n SER 44 Ca -0.06 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2kjp n SER 44 Cb 0.41 -1.53 0.05 0.00 -1.01 0.00 0.00 64.21 62.13 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2kjp n LYS 45 N 0.10 1.64 -2.97 1.43 5.02 -1.17 -5.05 118.16 117.15 2kjp n LYS 45 Ca -0.01 -3.40 -0.22 0.00 -2.02 0.00 0.00 58.31 52.67 2kjp n LYS 45 Cb 0.01 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 33.54 2kjp n LYS 45 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2kjp s LYS 46 N -3.56 2.95 -0.09 1.97 1.02 -1.26 -4.61 119.74 116.16 2kjp s LYS 46 Ca 0.27 -0.65 -0.06 0.00 0.02 0.00 0.00 55.97 55.55 2kjp s LYS 46 Cb 0.33 -2.59 0.02 0.00 -0.52 0.00 0.00 37.83 35.07 2kjp s LYS 46 CO -0.05 -0.32 0.13 0.00 -0.92 0.00 0.00 175.35 174.19 2kjp n ALA 47 N -2.07 -3.25 0.00 5.17 0.00 -1.21 -4.73 120.51 114.42 2kjp n ALA 47 Ca 0.03 1.28 0.00 0.00 0.00 0.00 0.00 53.44 54.75 2kjp n ALA 47 Cb 0.58 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.48 2kjp n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kjp n GLY 48 N 1.05 2.81 3.79 0.00 0.00 -1.26 -5.01 105.19 106.57 2kjp n GLY 48 Ca -0.21 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.73 2kjp n GLY 48 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kjp s ASP 49 N 0.00 6.04 0.10 1.61 2.15 -1.26 -4.87 116.67 120.44 2kjp s ASP 49 Ca 0.00 1.95 0.05 0.00 0.43 0.00 0.00 52.55 54.98 2kjp s ASP 49 Cb 0.00 -2.56 -0.04 0.00 -0.30 0.00 0.00 42.92 40.02 2kjp s ASP 49 CO 0.00 -0.99 0.02 -0.54 -0.17 0.00 0.00 175.17 173.49 2kjp s LYS 50 N -3.49 2.60 -0.01 4.34 1.02 -1.26 -3.46 119.74 119.47 2kjp s LYS 50 Ca 0.67 -0.85 -0.13 0.00 0.02 0.00 0.00 55.97 55.69 2kjp s LYS 50 Cb -0.18 -2.55 0.02 0.00 -0.52 0.00 0.00 37.83 34.60 2kjp s LYS 50 CO 0.26 0.53 0.27 0.08 -0.92 0.00 0.00 175.35 175.57 2kjp s VAL 51 N -1.39 0.06 -0.26 3.17 1.01 -1.26 -5.04 120.40 116.69 2kjp s VAL 51 Ca 0.27 -0.51 -0.08 0.00 0.00 0.00 0.00 61.98 61.66 2kjp s VAL 51 Cb -0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 36.38 35.68 2kjp s VAL 51 CO 0.19 -0.28 0.09 -0.89 0.00 0.00 0.00 175.10 174.21 2kjp s THR 52 N -1.28 4.40 -0.16 3.92 2.01 -1.26 -4.73 115.64 118.54 2kjp s THR 52 Ca -0.13 -0.23 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 2kjp s THR 52 Cb -0.06 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.34 2kjp s THR 52 CO 0.03 0.27 -0.14 -0.22 -0.69 0.00 0.00 174.62 173.88 2kjp s LEU 53 N 1.62 2.55 -0.13 4.42 2.96 -1.26 -2.08 118.68 126.76 2kjp s LEU 53 Ca 0.06 -0.44 -0.09 0.00 -0.22 0.00 0.00 54.13 53.44 2kjp s LEU 53 Cb -0.16 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 44.90 2kjp s LEU 53 CO 0.04 0.08 0.17 -0.54 -1.32 0.00 0.00 176.35 174.78 2kjp s LYS 54 N 0.83 3.68 0.16 1.98 1.02 -1.16 -4.84 119.74 121.41 2kjp s LYS 54 Ca -0.05 -0.10 -0.01 0.00 0.02 0.00 0.00 55.97 55.83 2kjp s LYS 54 Cb -0.15 -3.25 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2kjp s LYS 54 CO 0.00 0.64 0.09 0.42 -0.92 0.00 0.00 175.35 175.58 2kjp s ILE 55 N -0.65 0.06 -0.13 2.17 1.01 -1.26 -2.59 121.20 119.81 2kjp s ILE 55 Ca 0.14 -1.93 0.03 0.00 0.00 0.00 0.00 60.65 58.89 2kjp s ILE 55 Cb -0.12 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.14 2kjp s ILE 55 CO 0.03 -0.28 -0.22 -0.70 0.00 0.00 0.00 174.94 173.77 2kjp s GLU 56 N -4.09 3.00 -0.06 2.79 2.12 -1.20 -4.15 118.70 117.11 2kjp s GLU 56 Ca 0.30 -0.85 -0.01 0.00 0.36 0.00 0.00 54.97 54.77 2kjp s GLU 56 Cb 0.07 -2.38 0.03 0.00 0.26 0.00 0.00 34.13 32.11 2kjp s GLU 56 CO 0.06 0.04 -0.01 1.03 -0.54 0.00 0.00 175.26 175.84 2kjp s ARG 57 N 0.69 0.56 -1.61 4.30 0.52 0.16 -4.52 118.95 119.06 2kjp s ARG 57 Ca -0.10 0.07 -0.13 0.00 -0.52 0.00 0.00 55.73 55.05 2kjp s ARG 57 Cb -0.16 -0.83 0.11 0.00 0.52 0.00 0.00 34.95 34.59 2kjp s ARG 57 CO 0.01 -0.23 0.71 0.39 0.02 0.00 0.00 175.30 176.20 2kjp n GLU 58 N 4.74 -3.41 -0.73 3.54 1.02 -1.26 0.98 120.64 125.52 2kjp n GLU 58 Ca -0.14 0.40 0.00 0.00 -0.02 0.00 0.00 57.16 57.40 2kjp n GLU 58 Cb 0.50 -4.98 0.00 0.00 -0.02 0.00 0.00 31.44 26.94 2kjp n GLU 58 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 2kjp n GLU 59 N -4.42 0.00 -4.10 3.49 0.28 -1.26 -4.97 120.64 109.65 2kjp n GLU 59 Ca -0.03 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.71 2kjp n GLU 59 Cb 0.54 -3.42 -0.06 0.00 1.43 0.00 0.00 31.44 29.93 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2kjp s LYS 60 N -0.46 2.81 -0.06 3.44 1.02 0.28 -5.11 119.74 121.67 2kjp s LYS 60 Ca 0.00 -0.91 0.05 0.00 0.02 0.00 0.00 55.97 55.13 2kjp s LYS 60 Cb 0.00 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.71 2kjp s LYS 60 CO 0.00 0.48 -0.21 -1.21 -0.92 0.00 0.00 175.35 173.48 2kjp s GLU 61 N -3.09 2.26 0.05 1.68 8.01 -1.26 0.41 118.70 126.75 2kjp s GLU 61 Ca 0.30 -0.77 0.07 0.00 0.01 0.00 0.00 54.97 54.58 2kjp s GLU 61 Cb -0.10 -1.91 -0.03 0.00 -4.31 0.00 0.00 34.13 27.79 2kjp s GLU 61 CO 0.23 0.30 -0.19 0.15 0.01 0.00 0.00 175.26 175.75 2kjp s LYS 62 N -0.02 1.28 -0.06 1.61 -0.14 -1.26 -5.04 119.74 116.11 2kjp s LYS 62 Ca -0.05 -0.92 0.02 0.00 -1.36 0.00 0.00 55.97 53.66 2kjp s LYS 62 Cb -0.13 -1.39 0.01 0.00 -1.68 0.00 0.00 37.83 34.64 2kjp s LYS 62 CO 0.03 0.35 -0.11 0.50 -0.76 0.00 0.00 175.35 175.36 2kjp s ARG 63 N -1.22 1.59 -0.00 1.68 3.52 -1.26 -4.50 118.95 118.75 2kjp s ARG 63 Ca 0.06 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 2kjp s ARG 63 Cb -0.09 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.97 2kjp s ARG 63 CO 0.02 0.01 0.00 0.08 -0.81 0.00 0.00 175.30 174.60 2kjp s VAL 64 N 0.71 0.01 -0.33 7.11 1.01 -1.26 -5.13 120.40 122.51 2kjp s VAL 64 Ca -0.14 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.66 2kjp s VAL 64 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2kjp s VAL 64 CO 0.03 0.01 0.55 0.28 0.00 0.00 0.00 175.10 175.98 2kjp s THR 65 N 0.10 4.98 0.09 3.92 -1.32 -1.26 -4.85 115.64 117.30 2kjp s THR 65 Ca -0.01 0.53 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 2kjp s THR 65 Cb -0.01 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.96 2kjp s THR 65 CO -0.00 -0.19 -0.02 -1.48 -2.21 0.00 0.00 174.62 170.72 2kjp s LEU 66 N 2.48 2.30 -0.10 9.08 0.05 -1.26 -5.16 118.68 126.07 2kjp s LEU 66 Ca 0.21 -1.07 -0.09 0.00 0.05 0.00 0.00 54.13 53.23 2kjp s LEU 66 Cb -0.15 0.12 -0.04 0.00 -2.05 0.00 0.00 46.19 44.07 2kjp s LEU 66 CO 0.13 -0.59 0.20 -0.89 -0.55 0.00 0.00 176.35 174.65 2kjp s THR 67 N -3.84 5.40 0.81 5.48 2.01 -1.26 -4.39 115.64 119.84 2kjp s THR 67 Ca 0.14 0.35 -0.11 0.00 0.31 0.00 0.00 61.69 62.38 2kjp s THR 67 Cb 0.07 -3.48 0.08 0.00 0.01 0.00 0.00 72.50 69.18 2kjp s THR 67 CO -0.05 0.59 1.13 -0.76 -0.69 0.00 0.00 174.62 174.85 2kjp s LEU 68 N -0.89 3.04 0.22 4.42 1.02 -1.22 -4.90 118.68 120.37 2kjp s LEU 68 Ca 0.16 2.05 0.04 0.00 0.02 0.00 0.00 54.13 56.40 2kjp s LEU 68 Cb -0.13 -4.55 -0.05 0.00 0.02 0.00 0.00 46.19 41.48 2kjp s LEU 68 CO 0.06 -2.42 -0.02 -0.54 0.02 0.00 0.00 176.35 173.45 2kjp s LYS 69 N -4.59 1.30 0.04 1.70 -0.14 -1.26 -3.36 119.74 113.43 2kjp s LYS 69 Ca 0.66 -1.64 0.09 0.00 -1.36 0.00 0.00 55.97 53.71 2kjp s LYS 69 Cb -0.21 -0.61 -0.03 0.00 -1.68 0.00 0.00 37.83 35.30 2kjp s LYS 69 CO 0.54 -0.07 -0.24 1.14 -0.76 0.00 0.00 175.35 175.95 2kjp s GLN 70 N -3.85 1.63 0.22 1.68 -2.07 -1.26 -4.23 119.66 111.79 2kjp s GLN 70 Ca 0.27 -1.04 -0.28 0.00 -1.82 0.00 0.00 55.36 52.49 2kjp s GLN 70 Cb 0.05 -1.79 -0.16 0.00 -1.09 0.00 0.00 33.01 30.02 2kjp s GLN 70 CO 0.08 0.46 0.57 1.19 -1.32 0.00 0.00 175.29 176.26 2kjp n PHE 71 N 1.80 -0.33 0.14 9.60 3.72 -1.26 -4.93 117.46 126.20 2kjp n PHE 71 Ca -0.17 0.92 -0.09 0.00 -0.05 0.00 0.00 57.45 58.05 2kjp n PHE 71 Cb 0.52 -1.99 -0.05 0.00 -0.94 0.00 0.00 39.48 37.02 2kjp n PHE 71 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2kjp h PRO 72 N 1.10 -0.42 -0.39 -1.08 0.13 -1.95 -3.28 132.00 126.11 2kjp h PRO 72 Ca -0.30 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2kjp h PRO 72 Cb 1.43 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.65 2kjp h PRO 72 CO 0.57 -0.15 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 2kjp n ASP 73 N -5.07 0.39 -2.96 1.44 8.00 -1.26 -3.88 116.55 113.21 2kjp n ASP 73 Ca -0.07 -1.78 -0.14 0.00 0.71 0.00 0.00 54.79 53.50 2kjp n ASP 73 Cb 0.23 -0.19 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjp n GLU 74 N -0.26 0.88 0.12 -1.24 1.02 -1.24 -4.97 120.64 114.95 2kjp n GLU 74 Ca 0.00 -2.54 0.12 0.00 -0.02 0.00 0.00 57.16 54.72 2kjp n GLU 74 Cb 0.10 -1.35 0.46 0.00 -0.02 0.00 0.00 31.44 30.62 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2kjp n PRO 75 N 0.89 0.23 0.00 3.49 -0.04 -1.24 -2.48 135.00 135.84 2kjp n PRO 75 Ca 0.15 0.34 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 2kjp n PRO 75 Cb 0.63 -1.85 0.56 0.00 -0.04 0.00 0.00 33.50 32.81 2kjp n PRO 75 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2kjp n ASP 76 N -2.26 0.18 -4.10 3.54 2.03 -1.26 -4.84 116.55 109.85 2kjp n ASP 76 Ca 0.04 0.09 -0.13 0.00 0.52 0.00 0.00 54.79 55.30 2kjp n ASP 76 Cb 0.32 -0.24 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2kjp s ARG 77 N -2.86 0.63 0.00 -0.67 0.52 -1.03 -5.16 118.95 110.37 2kjp s ARG 77 Ca 0.18 -0.89 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 2kjp s ARG 77 Cb 0.19 -0.37 -0.00 0.00 0.52 0.00 0.00 34.95 35.29 2kjp s ARG 77 CO 0.55 0.06 -0.00 0.00 0.02 0.00 0.00 175.30 175.92 2kjp s ALA 78 N -1.76 0.02 0.06 2.13 0.00 -1.26 -4.46 121.76 116.50 2kjp s ALA 78 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 51.85 2kjp s ALA 78 Cb -0.07 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.06 2kjp s ALA 78 CO -0.00 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.16 2kjp n GLY 79 N 2.93 -2.06 3.68 0.00 0.00 -1.26 -4.67 105.19 103.81 2kjp n GLY 79 Ca -0.13 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 2kjp n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kjp s ILE 80 N -0.93 4.31 0.14 -0.61 1.01 -1.26 -5.03 121.20 118.84 2kjp s ILE 80 Ca 0.00 1.62 -0.02 0.00 0.00 0.00 0.00 60.65 62.25 2kjp s ILE 80 Cb 0.00 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.46 2kjp s ILE 80 CO 0.00 -0.03 0.20 0.61 0.00 0.00 0.00 174.94 175.71 2kjp n GLY 81 N 3.39 -0.63 3.76 6.18 0.00 -1.26 -5.02 105.19 111.62 2kjp n GLY 81 Ca 0.11 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 2kjp n GLY 81 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kjp s VAL 82 N -1.12 2.73 0.39 1.61 -7.23 -1.26 -4.95 120.40 110.56 2kjp s VAL 82 Ca 0.12 0.58 -0.27 0.00 -1.81 0.00 0.00 61.98 60.59 2kjp s VAL 82 Cb -0.00 -3.31 -0.10 0.00 0.56 0.00 0.00 36.38 33.53 2kjp s VAL 82 CO 0.08 0.02 1.42 -0.44 -0.31 0.00 0.00 175.10 175.87 2kjp s SER 83 N -1.09 6.30 -1.02 4.85 0.01 -1.26 -4.91 113.70 116.59 2kjp s SER 83 Ca 0.63 2.91 -0.21 0.00 1.31 0.00 0.00 55.95 60.59 2kjp s SER 83 Cb -0.34 -2.66 0.07 0.00 0.21 0.00 0.00 66.02 63.31 2kjp s SER 83 CO 0.42 -0.88 1.39 -1.48 0.41 0.00 0.00 173.24 173.09 2kjp s LEU 84 N -2.23 3.94 -0.73 2.44 2.34 -1.26 -4.94 118.68 118.23 2kjp s LEU 84 Ca 0.55 -1.70 -0.26 0.00 0.06 0.00 0.00 54.13 52.78 2kjp s LEU 84 Cb -0.44 -2.52 -0.08 0.00 -0.56 0.00 0.00 46.19 42.59 2kjp s LEU 84 CO 0.58 -1.36 2.22 -1.61 -1.06 0.00 0.00 176.35 175.12 2kjp s GLU 85 N 4.28 2.08 0.77 1.48 0.41 -1.26 -4.75 118.70 121.71 2kjp s GLU 85 Ca 0.43 0.50 0.00 0.00 -0.41 0.00 0.00 54.97 55.49 2kjp s GLU 85 Cb -0.01 -4.76 0.00 0.00 -1.78 0.00 0.00 34.13 27.58 2kjp s GLU 85 CO -0.08 -3.71 0.00 0.72 -0.49 0.00 0.00 175.26 171.70 2kjp n HIS 86 N 16.13 -2.53 -0.33 1.61 8.25 -1.26 -4.81 115.22 132.28 2kjp n HIS 86 Ca 0.39 0.72 -0.13 0.00 -0.26 0.00 0.00 57.72 58.44 2kjp n HIS 86 Cb 0.48 -1.23 0.12 0.00 1.12 0.00 0.00 29.99 30.47 2kjp n HIS 86 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kjp n HIS 87 N -2.40 -3.00 -3.72 4.41 1.44 -1.26 -5.08 115.22 105.60 2kjp n HIS 87 Ca 0.00 -0.38 -0.14 0.00 -2.01 0.00 0.00 57.72 55.19 2kjp n HIS 87 Cb 0.26 -0.52 -0.09 0.00 0.12 0.00 0.00 29.99 29.76 2kjp n HIS 87 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2kjp s HIS 88 N -1.62 -0.30 0.14 -1.40 0.09 -1.26 -5.06 115.29 105.88 2kjp s HIS 88 Ca 0.30 0.56 -0.17 0.00 -0.00 0.00 0.00 55.06 55.74 2kjp s HIS 88 Cb -0.04 0.15 -0.01 0.00 -0.00 0.00 0.00 32.58 32.67 2kjp s HIS 88 CO 0.24 -0.38 1.78 1.12 -0.00 0.00 0.00 174.74 177.50 2kjp h HIS 89 N 4.13 0.45 -5.77 1.40 2.07 -2.01 -3.48 115.15 111.95 2kjp h HIS 89 Ca -0.29 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.09 2kjp h HIS 89 Cb 1.17 -0.15 0.01 0.00 2.57 0.00 0.00 27.41 31.01 2kjp h HIS 89 CO 0.48 0.31 -0.73 1.58 -3.07 0.00 0.00 177.93 176.50 2kjp n HIS 90 N -4.82 -3.14 -0.36 6.12 -0.00 -1.26 -5.37 115.22 106.38 2kjp n HIS 90 Ca -0.01 1.28 0.00 0.00 0.46 0.00 0.00 57.72 59.45 2kjp n HIS 90 Cb 0.04 -3.27 0.00 0.00 -0.12 0.00 0.00 29.99 26.64 2kjp n HIS 90 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52