#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 -0.61 0.01 8.20 0.00 -1.26 -2.25 105.19 109.27 2kjp n GLY 2 Ca 0.00 -0.61 0.02 0.00 0.00 0.00 0.00 46.02 45.43 2kjp n GLY 2 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 3 N 0.04 1.80 -3.71 -0.61 -5.35 -1.26 -4.51 119.36 105.75 2kjp n ILE 3 Ca 0.00 0.46 -0.12 0.00 -0.27 0.00 0.00 62.75 62.83 2kjp n ILE 3 Cb 0.00 -1.42 -0.11 0.00 -1.74 0.00 0.00 39.64 36.37 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.72 -1.76 0.00 0.00 176.55 174.07 2kjp s TYR 4 N -3.02 -0.52 -0.16 4.28 1.13 -1.26 -3.94 117.35 113.86 2kjp s TYR 4 Ca 0.01 1.17 -0.27 0.00 -1.41 0.00 0.00 57.07 56.57 2kjp s TYR 4 Cb 0.02 0.21 -0.01 0.00 -1.10 0.00 0.00 41.96 41.07 2kjp s TYR 4 CO 0.05 -0.28 0.91 0.00 -2.51 0.00 0.00 175.55 173.72 2kjp s ALA 5 N 0.93 3.51 -0.03 9.51 0.00 -1.06 -4.91 121.76 129.71 2kjp s ALA 5 Ca -0.06 0.14 0.20 0.00 0.00 0.00 0.00 51.96 52.24 2kjp s ALA 5 Cb -0.06 -3.33 -0.30 0.00 0.00 0.00 0.00 23.12 19.42 2kjp s ALA 5 CO -0.07 -0.70 0.42 0.45 0.00 0.00 0.00 175.76 175.86 2kjp n SER 6 N 5.34 0.52 -3.55 0.00 2.88 -1.26 0.18 113.62 117.73 2kjp n SER 6 Ca 0.07 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.52 2kjp n SER 6 Cb 0.48 1.86 -0.04 0.00 -0.75 0.00 0.00 64.21 65.77 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2kjp s SER 7 N -4.29 -0.34 0.05 -3.46 0.15 -1.26 -4.64 113.70 99.91 2kjp s SER 7 Ca -0.07 0.21 -0.17 0.00 0.70 0.00 0.00 55.95 56.62 2kjp s SER 7 Cb 0.12 0.31 0.03 0.00 -1.71 0.00 0.00 66.02 64.77 2kjp s SER 7 CO 0.81 -0.42 0.39 -0.69 1.20 0.00 0.00 173.24 174.53 2kjp s VAL 8 N -1.94 0.06 -0.21 4.45 1.01 -1.26 -4.94 120.40 117.57 2kjp s VAL 8 Ca 0.02 -0.51 -0.18 0.00 0.00 0.00 0.00 61.98 61.31 2kjp s VAL 8 Cb -0.01 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 2kjp s VAL 8 CO -0.03 -0.28 0.52 -0.69 0.00 0.00 0.00 175.10 174.62 2kjp s VAL 9 N -2.52 5.10 -1.12 2.92 1.01 -1.26 -4.98 120.40 119.55 2kjp s VAL 9 Ca -0.05 0.95 -0.25 0.00 0.00 0.00 0.00 61.98 62.63 2kjp s VAL 9 Cb -0.01 -3.84 -0.16 0.00 0.00 0.00 0.00 36.38 32.37 2kjp s VAL 9 CO -0.03 0.16 2.04 -0.70 0.00 0.00 0.00 175.10 176.58 2kjp s GLU 10 N 1.74 1.76 -0.03 2.72 2.12 -1.26 -3.94 118.70 121.82 2kjp s GLU 10 Ca 0.24 -0.73 0.01 0.00 0.36 0.00 0.00 54.97 54.85 2kjp s GLU 10 Cb -0.15 -5.09 0.04 0.00 0.26 0.00 0.00 34.13 29.18 2kjp s GLU 10 CO 0.09 -4.81 0.56 -1.71 -0.54 0.00 0.00 175.26 168.85 2kjp n ASN 11 N 17.34 -0.50 -3.52 -1.70 5.15 -1.26 -5.15 115.26 125.62 2kjp n ASN 11 Ca 0.43 -1.04 -0.21 0.00 -0.60 0.00 0.00 54.58 53.16 2kjp n ASN 11 Cb 0.47 0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.84 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 -0.14 0.84 0.00 1.20 0.00 -1.25 -4.99 117.12 112.77 2kjp n MET 12 Ca -0.12 -2.61 0.00 0.00 0.00 0.00 0.00 57.70 54.97 2kjp n MET 12 Cb 0.50 1.13 0.00 0.00 0.00 0.00 0.00 33.22 34.85 2kjp n MET 12 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kjp n PRO 13 N -0.77 0.00 0.00 0.03 -0.02 -1.26 -4.50 135.00 128.47 2kjp n PRO 13 Ca -0.09 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 2kjp n PRO 13 Cb 0.46 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2kjp n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kjp n ALA 14 N -1.02 0.00 -1.67 3.55 0.00 -1.19 -4.32 120.51 115.86 2kjp n ALA 14 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2kjp n ALA 14 Cb 0.07 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.54 2kjp n ALA 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2kjp n LYS 15 N 0.00 1.64 0.00 0.00 4.81 -1.26 -2.00 118.16 121.35 2kjp n LYS 15 Ca 0.00 0.59 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 2kjp n LYS 15 Cb 0.00 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 32.79 2kjp n LYS 15 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kjp n GLY 16 N 0.97 0.00 2.67 3.14 0.00 -1.26 -4.71 105.19 106.00 2kjp n GLY 16 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.88 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 0.16 0.14 1.61 2.36 -0.85 -4.72 119.74 118.44 2kjp s LYS 17 Ca 0.00 -0.03 0.09 0.00 -2.55 0.00 0.00 55.97 53.48 2kjp s LYS 17 Cb 0.00 -1.37 -0.04 0.00 -1.05 0.00 0.00 37.83 35.36 2kjp s LYS 17 CO 0.00 -0.75 -0.17 -1.50 1.55 0.00 0.00 175.35 174.48 2kjp s ILE 18 N 2.23 2.85 -0.17 5.43 2.07 -1.18 -3.18 121.20 129.24 2kjp s ILE 18 Ca 0.06 -1.61 -0.04 0.00 -1.41 0.00 0.00 60.65 57.64 2kjp s ILE 18 Cb -0.16 -2.34 0.07 0.00 0.13 0.00 0.00 42.46 40.17 2kjp s ILE 18 CO -0.16 0.02 0.16 -1.61 -1.91 0.00 0.00 174.94 171.44 2kjp s GLU 19 N -2.37 0.12 -0.31 3.50 2.02 -1.26 -4.96 118.70 115.44 2kjp s GLU 19 Ca 0.20 0.13 -0.10 0.00 0.02 0.00 0.00 54.97 55.22 2kjp s GLU 19 Cb -0.10 -1.34 0.19 0.00 0.10 0.00 0.00 34.13 32.98 2kjp s GLU 19 CO 0.11 -0.62 1.03 0.54 0.02 0.00 0.00 175.26 176.35 2kjp s VAL 20 N 2.25 -0.26 0.00 2.63 0.11 -1.26 -4.42 120.40 119.44 2kjp s VAL 20 Ca 0.05 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2kjp s VAL 20 Cb -0.15 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2kjp s VAL 20 CO -0.10 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.28 2kjp n GLY 21 N 4.49 2.95 3.79 6.54 0.00 0.48 -4.97 105.19 118.46 2kjp n GLY 21 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 2kjp n GLY 21 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 22 N -1.44 5.19 0.14 1.61 1.01 -1.25 -4.73 116.67 117.19 2kjp s ASP 22 Ca 0.00 1.83 0.07 0.00 0.71 0.00 0.00 52.55 55.17 2kjp s ASP 22 Cb 0.00 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2kjp s ASP 22 CO 0.00 -1.57 -0.06 -0.75 0.21 0.00 0.00 175.17 173.00 2kjp s LYS 23 N -4.47 2.24 -0.27 8.23 2.20 -1.26 -2.55 119.74 123.86 2kjp s LYS 23 Ca 0.63 -1.09 -0.09 0.00 -0.36 0.00 0.00 55.97 55.05 2kjp s LYS 23 Cb -0.17 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.80 2kjp s LYS 23 CO 0.47 0.48 0.14 0.96 -0.36 0.00 0.00 175.35 177.03 2kjp s ILE 24 N -1.51 4.86 0.11 5.43 -0.00 -1.25 -2.80 121.20 126.04 2kjp s ILE 24 Ca 0.25 0.00 -0.17 0.00 -0.00 0.00 0.00 60.65 60.73 2kjp s ILE 24 Cb -0.10 -3.31 -0.04 0.00 -0.00 0.00 0.00 42.46 39.01 2kjp s ILE 24 CO 0.16 0.28 1.61 0.40 -0.00 0.00 0.00 174.94 177.39 2kjp h ILE 25 N 5.45 1.22 -2.96 8.37 2.04 -1.87 -3.47 117.51 126.30 2kjp h ILE 25 Ca -0.36 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 2kjp h ILE 25 Cb 1.18 1.07 -0.12 0.00 -0.74 0.00 0.00 36.82 38.21 2kjp h ILE 25 CO 0.56 0.24 0.20 -0.94 0.00 0.00 0.00 178.15 178.22 2kjp s SER 26 N -5.88 -0.56 -0.36 1.72 1.04 -1.26 -3.41 113.70 104.99 2kjp s SER 26 Ca -0.13 0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.34 2kjp s SER 26 Cb 0.09 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.91 2kjp s SER 26 CO 0.75 -0.95 0.13 0.00 0.98 0.00 0.00 173.24 174.15 2kjp s ALA 27 N -3.61 2.11 -0.46 5.32 0.00 -1.21 -3.13 121.76 120.79 2kjp s ALA 27 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 51.96 49.78 2kjp s ALA 27 Cb -0.01 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.31 2kjp s ALA 27 CO -0.12 -1.79 0.00 -3.47 0.00 0.00 0.00 175.76 170.39 2kjp n ASP 28 N 4.30 -1.67 0.00 0.00 2.03 -0.61 -4.40 116.55 116.20 2kjp n ASP 28 Ca 0.02 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.44 2kjp n ASP 28 Cb 0.40 -1.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.13 2kjp n ASP 28 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kjp n GLY 29 N 0.01 1.49 3.89 0.27 0.00 -1.26 -5.02 105.19 104.58 2kjp n GLY 29 Ca -0.04 0.35 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 2kjp n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kjp s LYS 30 N 2.90 2.32 0.25 1.61 1.02 -1.26 -4.87 119.74 121.71 2kjp s LYS 30 Ca 0.00 -1.86 0.24 0.00 0.02 0.00 0.00 55.97 54.38 2kjp s LYS 30 Cb 0.00 -2.20 0.95 0.00 -0.52 0.00 0.00 37.83 36.05 2kjp s LYS 30 CO 0.00 -0.50 1.73 -1.71 -0.92 0.00 0.00 175.35 173.95 2kjp n ASN 31 N -1.71 0.71 -2.72 2.83 5.15 -1.22 -3.29 115.26 115.01 2kjp n ASN 31 Ca 0.01 0.65 -0.03 0.00 -0.60 0.00 0.00 54.58 54.61 2kjp n ASN 31 Cb 0.63 -0.81 -0.02 0.00 -0.53 0.00 0.00 39.78 39.05 2kjp n ASN 31 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2kjp n TYR 32 N -2.26 -2.50 -0.18 1.20 4.01 -1.26 -4.85 117.16 111.32 2kjp n TYR 32 Ca 0.03 1.46 -0.05 0.00 -0.16 0.00 0.00 57.90 59.18 2kjp n TYR 32 Cb 0.28 -2.59 0.04 0.00 -0.31 0.00 0.00 39.34 36.75 2kjp n TYR 32 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 2kjp h GLN 33 N 4.51 0.63 -6.00 -0.72 1.08 -2.01 -3.40 115.11 109.20 2kjp h GLN 33 Ca -0.27 -0.04 -0.57 0.00 -1.45 0.00 0.00 58.65 56.33 2kjp h GLN 33 Cb 0.60 -0.14 -0.06 0.00 -0.05 0.00 0.00 27.48 27.83 2kjp h GLN 33 CO 0.00 0.42 0.26 0.45 -0.95 0.00 0.00 178.83 179.01 2kjp s SER 34 N -5.61 6.99 0.27 1.46 0.15 -1.26 -4.95 113.70 110.74 2kjp s SER 34 Ca -0.13 1.20 -0.04 0.00 0.70 0.00 0.00 55.95 57.68 2kjp s SER 34 Cb 0.13 -2.44 0.33 0.00 -1.71 0.00 0.00 66.02 62.33 2kjp s SER 34 CO 0.74 -0.27 1.88 0.00 1.20 0.00 0.00 173.24 176.79 2kjp h ALA 35 N 7.08 1.25 -0.96 5.45 0.00 -1.95 -2.64 119.26 127.49 2kjp h ALA 35 Ca -0.35 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.59 2kjp h ALA 35 Cb 1.16 -0.31 -0.09 0.00 0.00 0.00 0.00 17.79 18.56 2kjp h ALA 35 CO 0.79 0.60 0.61 1.49 0.00 0.00 0.00 179.25 182.74 2kjp h GLU 36 N 1.10 0.74 -0.57 0.00 4.81 -1.95 -0.39 114.58 118.31 2kjp h GLU 36 Ca 0.27 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2kjp h GLU 36 Cb 0.05 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2kjp h GLU 36 CO -0.04 0.49 0.19 0.87 -0.73 0.00 0.00 179.01 179.79 2kjp h LYS 37 N 0.76 0.89 -0.31 1.92 1.79 -1.86 -1.50 116.57 118.24 2kjp h LYS 37 Ca 0.51 -0.18 -0.02 0.00 -2.18 0.00 0.00 60.65 58.77 2kjp h LYS 37 Cb 0.78 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.28 2kjp h LYS 37 CO -0.27 0.79 0.12 1.25 -1.08 0.00 0.00 179.45 180.25 2kjp h LEU 38 N 0.80 0.44 0.06 2.94 5.85 -1.13 -0.99 115.31 123.28 2kjp h LEU 38 Ca 0.19 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2kjp h LEU 38 Cb 0.27 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.18 2kjp h LEU 38 CO -0.01 0.50 -0.03 0.40 -0.34 0.00 0.00 178.44 178.97 2kjp h ILE 39 N 0.36 0.95 -0.70 4.05 2.04 -1.15 -2.52 117.51 120.54 2kjp h ILE 39 Ca 0.10 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.94 2kjp h ILE 39 Cb 0.20 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 2kjp h ILE 39 CO -0.01 0.01 0.46 0.44 0.00 0.00 0.00 178.15 179.05 2kjp h ASP 40 N -0.09 0.80 -0.40 1.72 3.32 -1.21 -1.97 116.42 118.59 2kjp h ASP 40 Ca -0.01 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.03 2kjp h ASP 40 Cb 0.07 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 2kjp h ASP 40 CO 0.01 0.58 0.25 0.22 -1.72 0.00 0.00 179.24 178.58 2kjp h TYR 41 N 0.94 0.47 -0.33 4.55 3.20 -0.77 -2.65 116.97 122.38 2kjp h TYR 41 Ca 0.26 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.12 2kjp h TYR 41 Cb -0.10 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 2kjp h TYR 41 CO -0.00 0.29 0.12 0.82 -1.64 0.00 0.00 178.16 177.75 2kjp h ILE 42 N 0.51 1.19 -1.49 1.81 1.08 -1.06 -3.46 117.51 116.11 2kjp h ILE 42 Ca 0.15 -0.61 -0.26 0.00 -0.39 0.00 0.00 64.86 63.75 2kjp h ILE 42 Cb -0.04 0.98 -0.10 0.00 -3.07 0.00 0.00 36.82 34.60 2kjp h ILE 42 CO -0.05 0.21 -0.24 -0.24 -0.69 0.00 0.00 178.15 177.15 2kjp n SER 43 N -4.69 -3.31 -0.03 1.72 2.88 -0.78 0.03 113.62 109.43 2kjp n SER 43 Ca -0.02 0.31 -0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2kjp n SER 43 Cb 0.15 -3.11 -0.00 0.00 -0.75 0.00 0.00 64.21 60.49 2kjp n SER 43 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2kjp n SER 44 N -0.47 -4.92 -2.97 -3.46 2.88 -1.26 -4.85 113.62 98.56 2kjp n SER 44 Ca -0.13 0.01 -0.10 0.00 -1.33 0.00 0.00 58.87 57.33 2kjp n SER 44 Cb 0.42 -2.46 -0.01 0.00 -0.75 0.00 0.00 64.21 61.40 2kjp n SER 44 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kjp n LYS 45 N -0.49 0.97 -4.01 -1.46 5.02 0.10 -4.72 118.16 113.56 2kjp n LYS 45 Ca -0.00 -0.87 -0.27 0.00 -2.02 0.00 0.00 58.31 55.15 2kjp n LYS 45 Cb 0.33 -2.13 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 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 3.92 3.15 0.00 1.97 1.02 -1.26 -4.51 119.74 124.03 2kjp s LYS 46 Ca 0.20 -0.70 0.00 0.00 0.02 0.00 0.00 55.97 55.48 2kjp s LYS 46 Cb 0.06 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2kjp s LYS 46 CO -0.01 0.52 0.00 0.00 -0.92 0.00 0.00 175.35 174.94 2kjp n ALA 47 N -0.24 -2.78 0.00 5.17 0.00 -1.26 -4.80 120.51 116.61 2kjp n ALA 47 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2kjp n ALA 47 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.03 2.95 3.76 0.00 0.00 -1.26 -5.04 105.19 105.64 2kjp n GLY 48 Ca 0.00 -0.82 -0.40 0.00 0.00 0.00 0.00 46.02 44.80 2kjp n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kjp s ASP 49 N 0.00 7.03 0.05 1.61 1.01 -1.26 -4.90 116.67 120.22 2kjp s ASP 49 Ca 0.00 2.42 0.05 0.00 0.71 0.00 0.00 52.55 55.73 2kjp s ASP 49 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 2kjp s ASP 49 CO 0.00 -0.32 -0.06 -0.75 0.21 0.00 0.00 175.17 174.25 2kjp s LYS 50 N -1.65 2.43 0.16 8.23 2.20 -1.26 -3.31 119.74 126.55 2kjp s LYS 50 Ca 0.47 -0.84 -0.19 0.00 -0.36 0.00 0.00 55.97 55.05 2kjp s LYS 50 Cb -0.34 -2.46 0.05 0.00 -1.51 0.00 0.00 37.83 33.56 2kjp s LYS 50 CO 0.45 0.56 0.52 0.14 -0.36 0.00 0.00 175.35 176.66 2kjp s VAL 51 N -1.14 0.03 -0.25 4.02 -7.23 -1.26 -5.02 120.40 109.55 2kjp s VAL 51 Ca 0.21 -0.44 -0.08 0.00 -1.81 0.00 0.00 61.98 59.85 2kjp s VAL 51 Cb -0.11 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 2kjp s VAL 51 CO 0.12 -0.14 0.11 -0.89 -0.31 0.00 0.00 175.10 173.99 2kjp s THR 52 N -3.81 4.71 0.09 5.32 2.01 -1.26 -4.62 115.64 118.07 2kjp s THR 52 Ca 0.04 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.07 2kjp s THR 52 Cb -0.00 -3.20 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2kjp s THR 52 CO -0.09 0.33 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.32 2kjp s LEU 53 N 1.42 3.05 -0.07 4.42 1.02 -1.26 -1.57 118.68 125.69 2kjp s LEU 53 Ca 0.06 -0.35 0.05 0.00 0.02 0.00 0.00 54.13 53.91 2kjp s LEU 53 Cb -0.15 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.23 2kjp s LEU 53 CO 0.05 0.20 -0.23 -0.54 0.02 0.00 0.00 176.35 175.85 2kjp s LYS 54 N -2.05 2.50 0.10 1.70 -0.14 -1.18 -4.63 119.74 116.04 2kjp s LYS 54 Ca 0.21 -0.82 0.10 0.00 -1.36 0.00 0.00 55.97 54.09 2kjp s LYS 54 Cb -0.11 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 33.95 2kjp s LYS 54 CO 0.12 0.28 -0.23 0.42 -0.76 0.00 0.00 175.35 175.18 2kjp s ILE 55 N 0.06 2.47 -0.19 2.17 -1.09 -1.26 -2.80 121.20 120.57 2kjp s ILE 55 Ca -0.08 -1.56 -0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2kjp s ILE 55 Cb -0.15 -2.08 -0.00 0.00 -1.58 0.00 0.00 42.46 38.65 2kjp s ILE 55 CO 0.05 0.17 -0.10 -0.70 -1.23 0.00 0.00 174.94 173.13 2kjp s GLU 56 N -1.87 3.29 -0.16 2.79 2.12 -1.12 -3.67 118.70 120.08 2kjp s GLU 56 Ca 0.15 -0.69 -0.02 0.00 0.36 0.00 0.00 54.97 54.77 2kjp s GLU 56 Cb -0.10 -2.81 0.05 0.00 0.26 0.00 0.00 34.13 31.53 2kjp s GLU 56 CO 0.06 -0.08 0.03 1.03 -0.54 0.00 0.00 175.26 175.76 2kjp s ARG 57 N 1.12 0.64 -1.71 4.30 0.52 -1.10 -4.48 118.95 118.23 2kjp s ARG 57 Ca 0.01 -0.26 -0.16 0.00 -0.52 0.00 0.00 55.73 54.79 2kjp s ARG 57 Cb -0.14 -1.78 0.15 0.00 0.52 0.00 0.00 34.95 33.69 2kjp s ARG 57 CO -0.03 -0.54 0.62 0.39 0.02 0.00 0.00 175.30 175.76 2kjp n GLU 58 N 5.08 -2.25 -2.55 3.54 4.71 -1.26 0.94 120.64 128.84 2kjp n GLU 58 Ca -0.08 0.28 -0.13 0.00 -0.01 0.00 0.00 57.16 57.21 2kjp n GLU 58 Cb 0.48 -4.78 0.01 0.00 -1.01 0.00 0.00 31.44 26.14 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2kjp n GLU 59 N -4.31 -2.31 -3.87 3.49 1.02 -1.26 -5.01 120.64 108.39 2kjp n GLU 59 Ca 0.01 0.59 -0.30 0.00 -0.02 0.00 0.00 57.16 57.43 2kjp n GLU 59 Cb 0.52 -4.76 -0.15 0.00 -0.02 0.00 0.00 31.44 27.03 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2kjp s LYS 60 N -5.03 1.13 0.27 3.49 -0.14 0.27 -5.12 119.74 114.61 2kjp s LYS 60 Ca 0.12 -1.29 -0.19 0.00 -1.36 0.00 0.00 55.97 53.25 2kjp s LYS 60 Cb -0.05 -2.50 -0.09 0.00 -1.68 0.00 0.00 37.83 33.51 2kjp s LYS 60 CO 0.15 -0.88 0.76 -1.83 -0.76 0.00 0.00 175.35 172.78 2kjp s GLU 61 N 1.35 4.19 0.05 1.68 -1.05 -1.26 -2.70 118.70 120.97 2kjp s GLU 61 Ca 0.07 0.85 0.02 0.00 -0.15 0.00 0.00 54.97 55.76 2kjp s GLU 61 Cb -0.18 -2.69 -0.03 0.00 -0.44 0.00 0.00 34.13 30.80 2kjp s GLU 61 CO -0.15 0.28 -0.08 0.15 0.95 0.00 0.00 175.26 176.41 2kjp s LYS 62 N -2.38 0.60 -0.10 -4.83 1.02 -1.24 -5.05 119.74 107.76 2kjp s LYS 62 Ca 0.48 -0.86 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 2kjp s LYS 62 Cb -0.14 -0.32 0.02 0.00 -0.52 0.00 0.00 37.83 36.87 2kjp s LYS 62 CO 0.20 0.05 -0.07 0.50 -0.92 0.00 0.00 175.35 175.10 2kjp s ARG 63 N -1.93 1.42 -0.01 1.68 3.52 -1.26 -4.21 118.95 118.15 2kjp s ARG 63 Ca -0.06 -0.23 0.01 0.00 -0.13 0.00 0.00 55.73 55.32 2kjp s ARG 63 Cb -0.08 -1.46 0.01 0.00 -1.56 0.00 0.00 34.95 31.86 2kjp s ARG 63 CO -0.00 -0.22 -0.01 0.08 -0.81 0.00 0.00 175.30 174.33 2kjp s VAL 64 N 1.57 0.18 -0.33 7.11 1.01 -1.26 -5.13 120.40 123.55 2kjp s VAL 64 Ca 0.02 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 61.78 2kjp s VAL 64 Cb -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 2kjp s VAL 64 CO -0.06 0.09 0.67 -0.89 0.00 0.00 0.00 175.10 174.91 2kjp s THR 65 N 0.45 4.88 0.12 3.92 2.01 -1.26 -4.72 115.64 121.04 2kjp s THR 65 Ca -0.04 0.82 -0.01 0.00 0.31 0.00 0.00 61.69 62.77 2kjp s THR 65 Cb -0.07 -4.06 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2kjp s THR 65 CO -0.01 -0.24 0.03 -1.48 -0.69 0.00 0.00 174.62 172.24 2kjp s LEU 66 N 2.73 1.94 -0.11 4.42 0.05 -1.26 -5.16 118.68 121.29 2kjp s LEU 66 Ca 0.26 -1.17 -0.06 0.00 0.05 0.00 0.00 54.13 53.22 2kjp s LEU 66 Cb -0.14 0.25 -0.04 0.00 -2.05 0.00 0.00 46.19 44.20 2kjp s LEU 66 CO 0.13 -0.69 0.10 -0.89 -0.55 0.00 0.00 176.35 174.45 2kjp s THR 67 N -3.99 5.18 1.14 5.48 2.01 -1.26 -4.30 115.64 119.90 2kjp s THR 67 Ca 0.21 0.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.12 2kjp s THR 67 Cb 0.07 -3.24 0.18 0.00 0.01 0.00 0.00 72.50 69.52 2kjp s THR 67 CO -0.00 0.62 0.29 0.18 -0.69 0.00 0.00 174.62 175.01 2kjp n LEU 68 N 2.03 -1.78 -3.85 4.42 4.77 -1.21 -4.91 117.00 116.48 2kjp n LEU 68 Ca -0.20 -0.31 -0.11 0.00 -0.03 0.00 0.00 56.01 55.37 2kjp n LEU 68 Cb 0.55 -0.93 -0.09 0.00 -2.33 0.00 0.00 43.42 40.62 2kjp n LEU 68 CO 0.30 -3.34 -0.11 -0.75 -1.33 0.00 0.00 177.39 172.16 2kjp s LYS 69 N -3.73 0.66 0.01 3.23 2.47 -1.26 -4.11 119.74 117.00 2kjp s LYS 69 Ca 0.53 -0.60 0.04 0.00 -1.56 0.00 0.00 55.97 54.38 2kjp s LYS 69 Cb -0.11 0.27 -0.01 0.00 -1.46 0.00 0.00 37.83 36.52 2kjp s LYS 69 CO 0.55 -0.19 -0.12 1.14 0.16 0.00 0.00 175.35 176.90 2kjp s GLN 70 N -2.39 0.91 0.30 4.03 -2.07 -1.26 -4.48 119.66 114.70 2kjp s GLN 70 Ca -0.06 -0.51 -0.28 0.00 -1.82 0.00 0.00 55.36 52.69 2kjp s GLN 70 Cb -0.02 -0.89 -0.14 0.00 -1.09 0.00 0.00 33.01 30.88 2kjp s GLN 70 CO -0.03 0.24 1.07 1.19 -1.32 0.00 0.00 175.29 176.44 2kjp n PHE 71 N 2.53 1.50 -0.01 9.60 3.72 -1.26 -4.94 117.46 128.59 2kjp n PHE 71 Ca -0.15 0.67 -0.12 0.00 -0.05 0.00 0.00 57.45 57.80 2kjp n PHE 71 Cb 0.56 -2.29 -0.10 0.00 -0.94 0.00 0.00 39.48 36.71 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 2.11 -0.07 0.00 -1.08 0.13 -1.96 -3.26 132.00 127.88 2kjp h PRO 72 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kjp h PRO 72 Cb 1.33 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kjp h PRO 72 CO 0.61 0.55 0.00 -0.40 -0.23 0.00 0.00 178.00 178.53 2kjp n ASP 73 N -4.79 0.00 -3.32 1.44 5.75 -1.26 -3.60 116.55 110.77 2kjp n ASP 73 Ca -0.08 0.16 -0.26 0.00 -0.01 0.00 0.00 54.79 54.60 2kjp n ASP 73 Cb 0.32 -0.29 -0.09 0.00 -1.03 0.00 0.00 41.12 40.04 2kjp n ASP 73 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2kjp n GLU 74 N -1.29 0.61 0.00 0.11 -0.58 -1.23 -4.95 120.64 113.32 2kjp n GLU 74 Ca 0.04 -3.33 0.15 0.00 -0.42 0.00 0.00 57.16 53.61 2kjp n GLU 74 Cb 0.08 -1.51 0.76 0.00 -0.57 0.00 0.00 31.44 30.19 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2kjp n PRO 75 N 2.04 0.48 0.12 3.49 -0.04 -1.24 -3.08 135.00 136.78 2kjp n PRO 75 Ca 0.25 -0.02 0.12 0.00 -0.04 0.00 0.00 63.50 63.81 2kjp n PRO 75 Cb 0.49 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2kjp n PRO 75 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2kjp h ASP 76 N 0.05 0.00 -4.98 3.54 3.32 -1.92 -3.47 116.42 112.96 2kjp h ASP 76 Ca 0.00 -0.01 -0.18 0.00 0.02 0.00 0.00 57.03 56.86 2kjp h ASP 76 Cb 0.28 0.00 -0.20 0.00 0.22 0.00 0.00 39.33 39.63 2kjp h ASP 76 CO 0.00 0.01 -0.70 -0.60 -1.72 0.00 0.00 179.24 176.22 2kjp s ARG 77 N -3.33 0.40 0.02 3.56 3.52 -1.18 -5.17 118.95 116.78 2kjp s ARG 77 Ca 0.01 -0.74 0.01 0.00 -0.13 0.00 0.00 55.73 54.88 2kjp s ARG 77 Cb 0.09 0.06 -0.02 0.00 -1.56 0.00 0.00 34.95 33.52 2kjp s ARG 77 CO 0.77 -0.04 -0.04 0.00 -0.81 0.00 0.00 175.30 175.17 2kjp s ALA 78 N -1.87 0.23 0.30 6.12 0.00 -1.26 -4.47 121.76 120.82 2kjp s ALA 78 Ca -0.11 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2kjp s ALA 78 Cb -0.07 0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.17 2kjp s ALA 78 CO -0.02 -0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.03 2kjp n GLY 79 N 1.61 -4.60 0.10 0.00 0.00 -1.26 -4.77 105.19 96.27 2kjp n GLY 79 Ca -0.23 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2kjp n GLY 79 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kjp h ILE 80 N 2.19 1.12 -3.49 -0.61 2.04 -1.98 -3.46 117.51 113.33 2kjp h ILE 80 Ca 0.00 -0.36 0.15 0.00 1.00 0.00 0.00 64.86 65.65 2kjp h ILE 80 Cb 0.00 1.07 -0.08 0.00 -0.74 0.00 0.00 36.82 37.07 2kjp h ILE 80 CO 0.00 0.12 -1.06 0.61 0.00 0.00 0.00 178.15 177.81 2kjp n GLY 81 N -0.82 -3.74 0.00 5.37 0.00 -1.26 -4.42 105.19 100.32 2kjp n GLY 81 Ca -0.04 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2kjp n GLY 81 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2kjp n VAL 82 N -3.31 0.00 -3.58 1.61 0.31 -0.95 -3.61 118.33 108.80 2kjp n VAL 82 Ca -0.04 1.20 -0.08 0.00 -0.01 0.00 0.00 64.34 65.40 2kjp n VAL 82 Cb 0.55 -2.15 -0.02 0.00 -0.91 0.00 0.00 33.84 31.31 2kjp n VAL 82 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2kjp s SER 83 N -2.11 -0.38 1.16 4.52 1.04 -1.26 -4.96 113.70 111.71 2kjp s SER 83 Ca 0.00 -0.17 -0.13 0.00 0.48 0.00 0.00 55.95 56.13 2kjp s SER 83 Cb 0.00 0.52 0.28 0.00 0.10 0.00 0.00 66.02 66.92 2kjp s SER 83 CO 0.00 -0.89 1.03 -1.48 0.98 0.00 0.00 173.24 172.88 2kjp s LEU 84 N -2.72 0.80 0.06 2.42 0.05 -1.26 -4.96 118.68 113.07 2kjp s LEU 84 Ca 0.06 1.37 0.00 0.00 0.05 0.00 0.00 54.13 55.61 2kjp s LEU 84 Cb -0.02 -3.29 0.00 0.00 -2.05 0.00 0.00 46.19 40.83 2kjp s LEU 84 CO -0.06 -4.10 0.00 1.21 -0.55 0.00 0.00 176.35 172.85 2kjp n GLU 85 N -4.84 0.00 -1.87 1.48 4.07 -1.26 -5.11 120.64 113.11 2kjp n GLU 85 Ca 0.03 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.71 2kjp n GLU 85 Cb 0.55 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.90 2kjp n GLU 85 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2kjp s HIS 86 N -1.19 1.96 -0.41 4.31 3.76 -1.26 -4.89 115.29 117.56 2kjp s HIS 86 Ca 0.00 0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 54.96 2kjp s HIS 86 Cb 0.00 -4.04 0.22 0.00 1.11 0.00 0.00 32.58 29.87 2kjp s HIS 86 CO 0.00 -4.38 0.98 1.58 -0.85 0.00 0.00 174.74 172.07 2kjp n HIS 87 N 6.60 -2.01 -3.48 1.40 -0.00 -1.26 -5.15 115.22 111.32 2kjp n HIS 87 Ca 0.17 -1.02 -0.13 0.00 -0.00 0.00 0.00 57.72 56.75 2kjp n HIS 87 Cb 0.41 1.27 -0.03 0.00 -0.00 0.00 0.00 29.99 31.64 2kjp n HIS 87 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kjp s HIS 88 N 0.80 -0.51 -0.73 1.57 -3.43 -1.26 -4.91 115.29 106.81 2kjp s HIS 88 Ca 0.27 0.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.07 2kjp s HIS 88 Cb 0.11 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.76 2kjp s HIS 88 CO -0.10 -0.67 0.00 1.58 -2.00 0.00 0.00 174.74 173.55 2kjp n HIS 89 N 0.09 -0.12 -0.18 0.38 -0.00 -1.26 -4.80 115.22 109.33 2kjp n HIS 89 Ca -0.15 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.50 2kjp n HIS 89 Cb 0.62 -2.14 0.02 0.00 -0.00 0.00 0.00 29.99 28.49 2kjp n HIS 89 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjp h HIS 90 N 0.00 0.65 0.00 1.57 6.17 -2.01 -3.57 115.15 117.96 2kjp h HIS 90 Ca -0.14 0.01 0.00 0.00 0.71 0.00 0.00 60.37 60.95 2kjp h HIS 90 Cb 0.85 -0.22 0.00 0.00 2.52 0.00 0.00 27.41 30.56 2kjp h HIS 90 CO 0.44 0.41 0.00 1.58 0.71 0.00 0.00 177.93 181.08