#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 0.83 0.00 4.83 0.00 -1.26 -1.97 105.19 107.62 2kjp n GLY 2 Ca 0.00 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 1.56 -4.03 -0.61 -5.35 -1.26 -4.42 119.36 105.25 2kjp n ILE 3 Ca 0.00 0.39 -0.35 0.00 -0.27 0.00 0.00 62.75 62.52 2kjp n ILE 3 Cb 0.00 -1.33 -0.12 0.00 -1.74 0.00 0.00 39.64 36.45 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 2kjp s TYR 4 N -2.88 3.09 0.49 4.28 2.02 -0.83 -4.22 117.35 119.29 2kjp s TYR 4 Ca 0.02 -0.33 -0.20 0.00 -0.37 0.00 0.00 57.07 56.19 2kjp s TYR 4 Cb 0.02 -2.10 -0.08 0.00 -0.40 0.00 0.00 41.96 39.40 2kjp s TYR 4 CO 0.06 -0.17 1.06 0.00 -1.57 0.00 0.00 175.55 174.93 2kjp s ALA 5 N 0.94 2.86 0.00 3.71 0.00 -1.13 -2.24 121.76 125.89 2kjp s ALA 5 Ca 0.02 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2kjp s ALA 5 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.70 2kjp s ALA 5 CO 0.02 -0.40 0.00 0.43 0.00 0.00 0.00 175.76 175.81 2kjp n SER 6 N -0.94 0.00 -3.64 0.00 7.64 -1.26 -1.74 113.62 113.67 2kjp n SER 6 Ca 0.09 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.90 2kjp n SER 6 Cb 0.52 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.73 2kjp n SER 6 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2kjp s SER 7 N -3.31 -0.31 0.04 6.43 0.15 -1.26 -4.63 113.70 110.82 2kjp s SER 7 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.25 2kjp s SER 7 Cb 0.00 0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 64.88 2kjp s SER 7 CO 0.00 -0.11 -0.04 0.68 1.20 0.00 0.00 173.24 174.97 2kjp s VAL 8 N 0.14 0.26 0.23 4.45 -7.23 -1.26 -5.03 120.40 111.95 2kjp s VAL 8 Ca 0.05 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.58 2kjp s VAL 8 Cb -0.05 -0.87 -0.09 0.00 0.56 0.00 0.00 36.38 35.93 2kjp s VAL 8 CO -0.09 -0.69 1.16 0.54 -0.31 0.00 0.00 175.10 175.70 2kjp s VAL 9 N -2.50 3.52 0.00 1.32 0.11 -1.26 -5.05 120.40 116.54 2kjp s VAL 9 Ca -0.05 1.38 0.00 0.00 -2.93 0.00 0.00 61.98 60.38 2kjp s VAL 9 Cb -0.02 -3.88 0.00 0.00 -1.53 0.00 0.00 36.38 30.95 2kjp s VAL 9 CO -0.04 0.27 0.00 -1.84 -3.33 0.00 0.00 175.10 170.16 2kjp n GLU 10 N 1.92 2.61 -1.51 1.54 0.28 -1.26 -4.74 120.64 119.49 2kjp n GLU 10 Ca 0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.85 2kjp n GLU 10 Cb 0.45 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.24 2kjp n GLU 10 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kjp n ASN 11 N 0.00 -5.30 -4.70 -1.84 2.85 -1.26 -4.98 115.26 100.03 2kjp n ASN 11 Ca 0.00 0.43 -0.29 0.00 -0.11 0.00 0.00 54.58 54.61 2kjp n ASN 11 Cb 0.00 -4.34 -0.09 0.00 1.24 0.00 0.00 39.78 36.60 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2kjp s MET 12 N -3.46 2.09 0.63 1.20 -1.94 -1.26 -4.91 119.30 111.65 2kjp s MET 12 Ca 0.00 -2.19 0.37 0.00 -1.71 0.00 0.00 55.69 52.17 2kjp s MET 12 Cb 0.00 -1.66 2.12 0.00 2.01 0.00 0.00 34.83 37.30 2kjp s MET 12 CO 0.00 -0.20 2.29 -1.35 -0.01 0.00 0.00 175.02 175.75 2kjp h PRO 13 N 1.53 0.00 -1.77 2.03 0.11 -1.98 -3.44 132.00 128.48 2kjp h PRO 13 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 2kjp h PRO 13 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.34 2kjp h PRO 13 CO 0.76 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.45 2kjp n ALA 14 N -2.18 -0.10 -1.59 -0.75 0.00 -1.26 -4.78 120.51 109.85 2kjp n ALA 14 Ca -0.03 0.09 -0.49 0.00 0.00 0.00 0.00 53.44 53.02 2kjp n ALA 14 Cb 0.11 -0.75 -0.05 0.00 0.00 0.00 0.00 19.45 18.75 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 -1.40 1.72 -2.08 0.00 4.81 -1.26 -3.01 118.16 116.93 2kjp n LYS 15 Ca -0.06 0.56 -0.09 0.00 -0.87 0.00 0.00 58.31 57.85 2kjp n LYS 15 Cb 0.20 -2.66 -0.02 0.00 0.02 0.00 0.00 35.03 32.56 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 5.36 -0.19 2.81 3.14 0.00 -1.26 -4.84 105.19 110.22 2kjp n GLY 16 Ca 0.30 0.02 -0.22 0.00 0.00 0.00 0.00 46.02 46.12 2kjp n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kjp s LYS 17 N -2.88 0.70 0.08 1.61 -2.85 -1.16 -4.88 119.74 110.35 2kjp s LYS 17 Ca 0.18 0.03 -0.08 0.00 -1.00 0.00 0.00 55.97 55.10 2kjp s LYS 17 Cb -0.11 -0.94 -0.00 0.00 -2.06 0.00 0.00 37.83 34.72 2kjp s LYS 17 CO 0.22 -0.23 0.17 -1.50 0.10 0.00 0.00 175.35 174.11 2kjp s ILE 18 N 1.62 0.14 -0.22 3.79 1.10 -1.26 -4.73 121.20 121.64 2kjp s ILE 18 Ca -0.00 -1.18 -0.04 0.00 -0.51 0.00 0.00 60.65 58.92 2kjp s ILE 18 Cb -0.13 -1.28 0.09 0.00 0.15 0.00 0.00 42.46 41.30 2kjp s ILE 18 CO -0.04 -0.65 0.19 -1.61 -2.11 0.00 0.00 174.94 170.72 2kjp s GLU 19 N -3.65 0.18 -0.45 3.50 2.02 -1.26 -4.90 118.70 114.14 2kjp s GLU 19 Ca 0.03 -0.02 0.07 0.00 0.02 0.00 0.00 54.97 55.07 2kjp s GLU 19 Cb 0.04 -1.26 0.33 0.00 0.10 0.00 0.00 34.13 33.34 2kjp s GLU 19 CO -0.10 -0.77 1.15 1.33 0.02 0.00 0.00 175.26 176.90 2kjp n VAL 20 N 5.30 0.00 0.00 2.63 0.24 -1.26 -4.01 118.33 121.23 2kjp n VAL 20 Ca -0.05 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.67 2kjp n VAL 20 Cb 0.48 1.37 0.00 0.00 -1.47 0.00 0.00 33.84 34.22 2kjp n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kjp n GLY 21 N 0.19 3.10 3.64 7.63 0.00 -0.71 -4.84 105.19 114.20 2kjp n GLY 21 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 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 0.81 -4.44 1.61 8.00 -1.26 -4.45 116.55 116.81 2kjp n ASP 22 Ca 0.00 0.68 -0.33 0.00 0.71 0.00 0.00 54.79 55.85 2kjp n ASP 22 Cb 0.00 -1.45 -0.13 0.00 -0.02 0.00 0.00 41.12 39.52 2kjp n ASP 22 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kjp s LYS 23 N -3.47 2.75 -0.36 -1.24 2.20 -1.26 -2.85 119.74 115.53 2kjp s LYS 23 Ca 0.75 -0.70 -0.17 0.00 -0.36 0.00 0.00 55.97 55.49 2kjp s LYS 23 Cb -0.34 -2.45 -0.00 0.00 -1.51 0.00 0.00 37.83 33.53 2kjp s LYS 23 CO 0.49 0.50 0.45 0.96 -0.36 0.00 0.00 175.35 177.40 2kjp s ILE 24 N -0.42 5.08 0.03 5.43 -0.00 -1.26 -2.46 121.20 127.60 2kjp s ILE 24 Ca 0.05 0.16 -0.24 0.00 -0.00 0.00 0.00 60.65 60.62 2kjp s ILE 24 Cb -0.12 -3.92 -0.17 0.00 -0.00 0.00 0.00 42.46 38.25 2kjp s ILE 24 CO 0.02 -0.20 1.47 0.40 -0.00 0.00 0.00 174.94 176.63 2kjp h ILE 25 N 5.60 1.24 -2.19 8.37 1.08 -1.91 -3.48 117.51 126.22 2kjp h ILE 25 Ca -0.28 -0.71 0.17 0.00 -0.39 0.00 0.00 64.86 63.65 2kjp h ILE 25 Cb 1.13 1.65 -0.12 0.00 -3.07 0.00 0.00 36.82 36.41 2kjp h ILE 25 CO 0.75 0.19 0.54 -0.44 -0.69 0.00 0.00 178.15 178.50 2kjp s SER 26 N -5.55 -0.24 -0.03 1.72 0.01 -1.26 -4.83 113.70 103.52 2kjp s SER 26 Ca -0.15 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 56.94 2kjp s SER 26 Cb 0.04 0.40 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2kjp s SER 26 CO 0.68 -0.70 -0.10 0.00 0.41 0.00 0.00 173.24 173.53 2kjp s ALA 27 N -3.10 0.93 -1.40 1.44 0.00 -1.02 -2.94 121.76 115.67 2kjp s ALA 27 Ca 0.09 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.63 2kjp s ALA 27 Cb -0.01 -0.36 0.04 0.00 0.00 0.00 0.00 23.12 22.79 2kjp s ALA 27 CO -0.03 0.14 1.01 -3.47 0.00 0.00 0.00 175.76 173.41 2kjp n ASP 28 N 3.38 -4.44 0.00 0.00 2.03 -0.64 -1.11 116.55 115.76 2kjp n ASP 28 Ca -0.19 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.43 2kjp n ASP 28 Cb 0.54 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.50 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 -1.72 0.00 3.46 0.27 0.00 -1.26 -4.91 105.19 101.03 2kjp n GLY 29 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.42 3.53 0.72 1.61 2.20 -0.27 -5.12 119.74 120.98 2kjp s LYS 30 Ca 0.00 -0.58 -0.05 0.00 -0.36 0.00 0.00 55.97 54.98 2kjp s LYS 30 Cb 0.00 -2.80 0.09 0.00 -1.51 0.00 0.00 37.83 33.61 2kjp s LYS 30 CO 0.00 0.26 1.02 0.54 -0.36 0.00 0.00 175.35 176.81 2kjp s ASN 31 N 0.28 4.54 -0.31 1.43 4.22 -1.26 -2.45 114.94 121.40 2kjp s ASN 31 Ca -0.06 0.17 0.01 0.00 -2.14 0.00 0.00 52.86 50.85 2kjp s ASN 31 Cb -0.15 -0.71 0.15 0.00 1.28 0.00 0.00 41.25 41.82 2kjp s ASN 31 CO 0.04 -1.75 0.34 -0.31 -2.04 0.00 0.00 177.10 173.38 2kjp s TYR 32 N -3.24 -0.56 0.32 1.54 2.02 -1.26 -4.98 117.35 111.19 2kjp s TYR 32 Ca 0.63 -0.21 0.01 0.00 -0.37 0.00 0.00 57.07 57.14 2kjp s TYR 32 Cb -0.08 -0.38 0.53 0.00 -0.40 0.00 0.00 41.96 41.62 2kjp s TYR 32 CO 0.45 -0.95 1.89 -0.56 -1.57 0.00 0.00 175.55 174.81 2kjp h GLN 33 N 7.96 0.73 -5.16 -0.62 3.07 -2.00 -3.41 115.11 115.68 2kjp h GLN 33 Ca -0.08 -0.12 -0.62 0.00 0.09 0.00 0.00 58.65 57.92 2kjp h GLN 33 Cb 1.08 -0.13 -0.15 0.00 0.08 0.00 0.00 27.48 28.36 2kjp h GLN 33 CO 0.29 0.63 -0.53 -1.12 0.09 0.00 0.00 178.83 178.19 2kjp s SER 34 N -6.60 5.88 0.25 0.06 0.01 -1.26 -5.00 113.70 107.04 2kjp s SER 34 Ca -0.09 0.09 -0.05 0.00 1.31 0.00 0.00 55.95 57.20 2kjp s SER 34 Cb 0.16 -2.04 0.30 0.00 0.21 0.00 0.00 66.02 64.65 2kjp s SER 34 CO 0.78 0.11 1.90 0.00 0.41 0.00 0.00 173.24 176.44 2kjp h ALA 35 N 7.19 1.26 -0.83 1.44 0.00 -2.02 -2.59 119.26 123.70 2kjp h ALA 35 Ca -0.38 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.60 2kjp h ALA 35 Cb 1.17 -0.34 -0.08 0.00 0.00 0.00 0.00 17.79 18.54 2kjp h ALA 35 CO 0.68 0.51 0.46 0.93 0.00 0.00 0.00 179.25 181.82 2kjp h GLU 36 N 1.21 0.71 -0.86 0.00 5.08 -1.96 -1.26 114.58 117.50 2kjp h GLU 36 Ca 0.38 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2kjp h GLU 36 Cb -0.01 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2kjp h GLU 36 CO -0.12 0.47 0.54 0.87 -1.00 0.00 0.00 179.01 179.76 2kjp h LYS 37 N 0.73 1.15 -0.81 2.33 1.79 -1.87 -2.28 116.57 117.61 2kjp h LYS 37 Ca 0.42 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.76 2kjp h LYS 37 Cb 0.47 -0.25 -0.04 0.00 -1.58 0.00 0.00 32.23 30.83 2kjp h LYS 37 CO -0.29 0.79 0.36 1.25 -1.08 0.00 0.00 179.45 180.48 2kjp h LEU 38 N 1.18 1.09 -0.29 2.94 5.85 -1.23 -2.43 115.31 122.41 2kjp h LEU 38 Ca 0.31 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.90 2kjp h LEU 38 Cb -0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.64 2kjp h LEU 38 CO -0.06 0.94 0.13 0.40 -0.34 0.00 0.00 178.44 179.51 2kjp h ILE 39 N 1.16 0.97 -0.76 4.05 1.08 -1.13 0.77 117.51 123.65 2kjp h ILE 39 Ca 0.27 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 64.70 2kjp h ILE 39 Cb 0.16 0.67 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 2kjp h ILE 39 CO -0.03 0.05 0.46 0.44 -0.69 0.00 0.00 178.15 178.38 2kjp h ASP 40 N 0.28 0.72 -0.27 1.72 3.32 -1.27 0.35 116.42 121.25 2kjp h ASP 40 Ca 0.12 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.17 2kjp h ASP 40 Cb 0.06 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2kjp h ASP 40 CO -0.10 0.47 0.10 0.22 -1.72 0.00 0.00 179.24 178.21 2kjp h TYR 41 N 0.85 0.43 -0.56 4.55 3.20 -0.89 -0.73 116.97 123.82 2kjp h TYR 41 Ca 0.33 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.13 2kjp h TYR 41 Cb 0.15 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.27 2kjp h TYR 41 CO -0.05 0.45 0.24 0.82 -1.64 0.00 0.00 178.16 177.97 2kjp h ILE 42 N 0.28 1.22 0.00 1.81 2.04 -0.25 -1.92 117.51 120.69 2kjp h ILE 42 Ca 0.09 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 2kjp h ILE 42 Cb 0.21 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2kjp h ILE 42 CO -0.01 0.26 -0.06 -1.28 0.00 0.00 0.00 178.15 177.07 2kjp h SER 43 N 0.77 0.00 0.89 1.72 0.87 -0.12 -0.71 113.55 116.97 2kjp h SER 43 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2kjp h SER 43 Cb 0.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.14 2kjp h SER 43 CO -0.02 0.06 0.00 0.77 -0.53 0.00 0.00 176.83 177.11 2kjp h SER 44 N 0.00 0.00 -1.89 6.23 4.64 -0.30 -3.44 113.55 118.80 2kjp h SER 44 Ca -0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 2kjp h SER 44 Cb 0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2kjp h SER 44 CO 0.01 0.00 1.50 0.29 -0.87 0.00 0.00 176.83 177.76 2kjp n LYS 45 N -2.82 1.85 -0.04 4.77 5.02 -0.28 -4.95 118.16 121.71 2kjp n LYS 45 Ca 0.01 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 2kjp n LYS 45 Cb 0.27 -3.19 0.00 0.00 -0.02 0.00 0.00 35.03 32.10 2kjp n LYS 45 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kjp n LYS 46 N 8.74 0.63 -3.67 1.97 5.02 -1.26 -2.00 118.16 127.59 2kjp n LYS 46 Ca 0.31 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 56.22 2kjp n LYS 46 Cb 0.43 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.33 2kjp n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kjp s ALA 47 N -3.83 3.28 0.00 7.82 0.00 -1.26 -4.28 121.76 123.50 2kjp s ALA 47 Ca 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.66 2kjp s ALA 47 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.79 2kjp s ALA 47 CO 0.00 -0.78 0.00 0.41 0.00 0.00 0.00 175.76 175.39 2kjp n GLY 48 N 4.98 3.01 3.08 0.00 0.00 0.14 -4.92 105.19 111.48 2kjp n GLY 48 Ca -0.14 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.66 2kjp n GLY 48 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kjp n ASP 49 N 0.00 -3.16 -3.96 1.61 2.03 -1.26 -3.79 116.55 108.02 2kjp n ASP 49 Ca 0.00 -0.46 -0.12 0.00 0.52 0.00 0.00 54.79 54.73 2kjp n ASP 49 Cb 0.00 -0.83 -0.13 0.00 -0.72 0.00 0.00 41.12 39.44 2kjp n ASP 49 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2kjp s LYS 50 N -3.78 0.29 0.01 -0.67 2.20 -1.26 0.13 119.74 116.65 2kjp s LYS 50 Ca 0.44 -0.37 -0.28 0.00 -0.36 0.00 0.00 55.97 55.39 2kjp s LYS 50 Cb -0.08 -0.12 0.08 0.00 -1.51 0.00 0.00 37.83 36.20 2kjp s LYS 50 CO 0.40 0.02 0.72 0.54 -0.36 0.00 0.00 175.35 176.67 2kjp s VAL 51 N -0.73 0.00 -0.22 4.02 0.11 -1.26 -5.00 120.40 117.33 2kjp s VAL 51 Ca -0.06 0.00 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 2kjp s VAL 51 Cb -0.05 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.76 2kjp s VAL 51 CO -0.00 0.00 0.05 -0.89 -3.33 0.00 0.00 175.10 170.93 2kjp s THR 52 N -2.20 4.40 -0.16 5.04 2.01 -1.26 -4.49 115.64 118.98 2kjp s THR 52 Ca -0.04 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.82 2kjp s THR 52 Cb -0.00 -3.02 0.01 0.00 0.01 0.00 0.00 72.50 69.50 2kjp s THR 52 CO -0.00 0.39 -0.21 -0.76 -0.69 0.00 0.00 174.62 173.35 2kjp s LEU 53 N 1.08 2.13 0.00 4.42 1.43 -1.26 -1.63 118.68 124.86 2kjp s LEU 53 Ca 0.04 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.35 2kjp s LEU 53 Cb -0.14 -1.46 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2kjp s LEU 53 CO 0.03 0.05 0.47 -0.54 0.23 0.00 0.00 176.35 176.59 2kjp s LYS 54 N 0.99 4.09 0.22 1.70 1.02 -1.15 -4.61 119.74 122.01 2kjp s LYS 54 Ca -0.03 0.53 0.09 0.00 0.02 0.00 0.00 55.97 56.58 2kjp s LYS 54 Cb -0.15 -3.27 -0.05 0.00 -0.52 0.00 0.00 37.83 33.85 2kjp s LYS 54 CO -0.06 0.57 -0.17 0.42 -0.92 0.00 0.00 175.35 175.19 2kjp s ILE 55 N -0.76 2.02 -0.14 2.17 -1.09 -1.26 -3.66 121.20 118.48 2kjp s ILE 55 Ca 0.26 -2.22 0.01 0.00 -2.23 0.00 0.00 60.65 56.47 2kjp s ILE 55 Cb -0.17 -2.10 -0.00 0.00 -1.58 0.00 0.00 42.46 38.61 2kjp s ILE 55 CO 0.15 -0.47 -0.17 -0.70 -1.23 0.00 0.00 174.94 172.52 2kjp s GLU 56 N -3.42 3.19 -0.04 2.79 -6.30 -1.03 -4.02 118.70 109.88 2kjp s GLU 56 Ca 0.24 -0.78 -0.02 0.00 -2.50 0.00 0.00 54.97 51.91 2kjp s GLU 56 Cb -0.03 -2.54 0.03 0.00 0.00 0.00 0.00 34.13 31.59 2kjp s GLU 56 CO 0.10 0.09 0.05 1.03 0.02 0.00 0.00 175.26 176.55 2kjp s ARG 57 N 0.62 -0.02 -1.64 4.30 0.52 0.21 -4.38 118.95 118.57 2kjp s ARG 57 Ca -0.09 0.35 -0.08 0.00 -0.52 0.00 0.00 55.73 55.38 2kjp s ARG 57 Cb -0.16 -0.53 0.08 0.00 0.52 0.00 0.00 34.95 34.86 2kjp s ARG 57 CO 0.03 -0.32 0.27 0.39 0.02 0.00 0.00 175.30 175.69 2kjp n GLU 58 N 5.22 -1.30 -2.43 3.54 1.02 -1.26 0.10 120.64 125.54 2kjp n GLU 58 Ca -0.05 0.16 -0.13 0.00 -0.02 0.00 0.00 57.16 57.12 2kjp n GLU 58 Cb 0.50 -4.10 0.00 0.00 -0.02 0.00 0.00 31.44 27.82 2kjp n GLU 58 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2kjp n GLU 59 N -4.41 -1.80 -4.08 3.49 0.00 -1.26 -5.02 120.64 107.56 2kjp n GLU 59 Ca -0.18 0.62 -0.07 0.00 0.00 0.00 0.00 57.16 57.53 2kjp n GLU 59 Cb 0.62 -4.82 -0.10 0.00 0.00 0.00 0.00 31.44 27.13 2kjp n GLU 59 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2kjp s LYS 60 N -4.88 0.58 0.07 5.31 1.02 0.28 -5.17 119.74 116.96 2kjp s LYS 60 Ca 0.07 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 54.97 2kjp s LYS 60 Cb -0.03 0.20 -0.03 0.00 -0.52 0.00 0.00 37.83 37.45 2kjp s LYS 60 CO 0.09 -0.10 -0.16 -1.83 -0.92 0.00 0.00 175.35 172.42 2kjp s GLU 61 N -3.65 0.91 -0.03 1.68 -1.05 -1.26 0.68 118.70 115.98 2kjp s GLU 61 Ca 0.04 -0.98 0.02 0.00 -0.15 0.00 0.00 54.97 53.90 2kjp s GLU 61 Cb 0.06 -0.97 0.01 0.00 -0.44 0.00 0.00 34.13 32.79 2kjp s GLU 61 CO -0.09 0.22 -0.06 0.15 0.95 0.00 0.00 175.26 176.43 2kjp s LYS 62 N -1.71 0.83 -0.15 -4.83 1.02 -1.26 -5.03 119.74 108.61 2kjp s LYS 62 Ca 0.00 -0.18 -0.18 0.00 0.02 0.00 0.00 55.97 55.64 2kjp s LYS 62 Cb -0.10 -0.80 -0.04 0.00 -0.52 0.00 0.00 37.83 36.37 2kjp s LYS 62 CO 0.03 0.00 0.48 1.03 -0.92 0.00 0.00 175.35 175.97 2kjp s ARG 63 N 0.56 4.27 -0.05 1.68 0.52 -1.26 -4.39 118.95 120.29 2kjp s ARG 63 Ca -0.08 0.41 0.02 0.00 -0.52 0.00 0.00 55.73 55.56 2kjp s ARG 63 Cb -0.11 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.89 2kjp s ARG 63 CO 0.00 0.03 -0.07 0.14 0.02 0.00 0.00 175.30 175.43 2kjp s VAL 64 N 1.03 0.75 -0.29 3.52 -7.23 -1.26 -5.12 120.40 111.80 2kjp s VAL 64 Ca 0.25 -0.25 -0.08 0.00 -1.81 0.00 0.00 61.98 60.08 2kjp s VAL 64 Cb -0.15 -0.73 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 2kjp s VAL 64 CO 0.10 0.27 0.11 0.28 -0.31 0.00 0.00 175.10 175.54 2kjp s THR 65 N 0.80 4.29 0.07 5.32 -1.32 -1.26 -4.48 115.64 119.06 2kjp s THR 65 Ca -0.13 -0.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.91 2kjp s THR 65 Cb -0.15 -3.15 -0.03 0.00 -1.51 0.00 0.00 72.50 67.66 2kjp s THR 65 CO 0.02 0.14 -0.09 -0.22 -2.21 0.00 0.00 174.62 172.26 2kjp s LEU 66 N 1.57 2.35 -0.06 9.08 2.96 -1.26 -5.14 118.68 128.18 2kjp s LEU 66 Ca 0.04 -0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 53.14 2kjp s LEU 66 Cb -0.17 -0.20 -0.05 0.00 0.50 0.00 0.00 46.19 46.27 2kjp s LEU 66 CO 0.04 -0.26 0.26 0.42 -1.32 0.00 0.00 176.35 175.48 2kjp s THR 67 N -2.11 5.30 0.39 3.68 -4.23 -1.26 -4.11 115.64 113.30 2kjp s THR 67 Ca -0.01 0.45 -0.26 0.00 -1.18 0.00 0.00 61.69 60.69 2kjp s THR 67 Cb -0.05 -3.54 -0.11 0.00 1.34 0.00 0.00 72.50 70.14 2kjp s THR 67 CO -0.01 0.58 1.15 0.18 -0.54 0.00 0.00 174.62 175.98 2kjp n LEU 68 N 1.83 3.14 -4.75 4.79 7.99 0.34 -4.78 117.00 125.56 2kjp n LEU 68 Ca -0.17 1.11 -0.30 0.00 -0.01 0.00 0.00 56.01 56.65 2kjp n LEU 68 Cb 0.54 -1.42 -0.07 0.00 -0.11 0.00 0.00 43.42 42.36 2kjp n LEU 68 CO 0.34 -1.01 -0.20 -0.54 -1.51 0.00 0.00 177.39 174.47 2kjp s LYS 69 N -1.99 2.16 0.05 3.23 -0.14 -1.26 0.24 119.74 122.03 2kjp s LYS 69 Ca 0.60 -2.20 0.06 0.00 -1.36 0.00 0.00 55.97 53.07 2kjp s LYS 69 Cb -0.56 -1.71 -0.03 0.00 -1.68 0.00 0.00 37.83 33.85 2kjp s LYS 69 CO 0.59 -0.30 -0.16 1.14 -0.76 0.00 0.00 175.35 175.86 2kjp s GLN 70 N -3.91 0.97 0.58 1.68 -2.07 -1.26 -4.25 119.66 111.40 2kjp s GLN 70 Ca 0.22 -0.87 -0.20 0.00 -1.82 0.00 0.00 55.36 52.69 2kjp s GLN 70 Cb 0.03 -1.02 -0.04 0.00 -1.09 0.00 0.00 33.01 30.89 2kjp s GLN 70 CO 0.12 0.25 1.24 -0.06 -1.32 0.00 0.00 175.29 175.52 2kjp s PHE 71 N -0.99 2.37 -0.00 9.60 0.08 -1.26 -4.99 117.98 122.78 2kjp s PHE 71 Ca 0.02 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.41 2kjp s PHE 71 Cb -0.09 -3.57 -0.08 0.00 -0.57 0.00 0.00 43.02 38.72 2kjp s PHE 71 CO 0.02 -2.39 0.83 -1.00 -0.10 0.00 0.00 175.22 172.58 2kjp h PRO 72 N 1.05 -0.51 -0.49 0.24 0.13 -1.97 -3.29 132.00 127.17 2kjp h PRO 72 Ca -0.51 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kjp h PRO 72 Cb 1.30 0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2kjp h PRO 72 CO 0.56 -0.34 0.00 -0.25 -0.23 0.00 0.00 178.00 177.74 2kjp n ASP 73 N -4.10 2.30 -3.03 1.44 8.00 -1.26 -4.21 116.55 115.70 2kjp n ASP 73 Ca -0.07 -2.13 -0.15 0.00 0.71 0.00 0.00 54.79 53.15 2kjp n ASP 73 Cb 0.21 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 40.96 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 0.47 1.02 0.20 -1.24 -0.58 -1.25 -4.93 120.64 114.33 2kjp n GLU 74 Ca 0.12 -3.28 0.14 0.00 -0.42 0.00 0.00 57.16 53.72 2kjp n GLU 74 Cb 0.42 -1.55 0.56 0.00 -0.57 0.00 0.00 31.44 30.31 2kjp n GLU 74 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2kjp h PRO 75 N 2.99 0.00 0.00 3.49 0.13 -1.73 -2.84 132.00 134.04 2kjp h PRO 75 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2kjp h PRO 75 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2kjp h PRO 75 CO 0.48 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.78 2kjp n ASP 76 N -2.65 0.03 -4.10 1.44 2.03 -1.26 -4.62 116.55 107.42 2kjp n ASP 76 Ca 0.02 0.51 -0.15 0.00 0.52 0.00 0.00 54.79 55.69 2kjp n ASP 76 Cb 0.28 -0.52 -0.12 0.00 -0.72 0.00 0.00 41.12 40.05 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 -3.02 0.63 0.02 -0.67 0.52 -1.07 -5.17 118.95 110.19 2kjp s ARG 77 Ca 0.03 -0.82 0.02 0.00 -0.52 0.00 0.00 55.73 54.45 2kjp s ARG 77 Cb 0.05 -0.49 -0.01 0.00 0.52 0.00 0.00 34.95 35.01 2kjp s ARG 77 CO 0.13 0.10 -0.07 0.00 0.02 0.00 0.00 175.30 175.48 2kjp s ALA 78 N -1.31 0.54 0.00 2.13 0.00 -1.26 -4.32 121.76 117.53 2kjp s ALA 78 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2kjp s ALA 78 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.97 2kjp s ALA 78 CO 0.01 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.24 2kjp n GLY 79 N 2.27 0.68 0.00 0.00 0.00 -0.85 -4.66 105.19 102.63 2kjp n GLY 79 Ca -0.17 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2kjp n GLY 79 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2kjp n ILE 80 N 0.00 0.00 -2.60 -0.61 -5.35 -1.26 -4.90 119.36 104.64 2kjp n ILE 80 Ca 0.00 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 2kjp n ILE 80 Cb 0.00 -0.55 0.03 0.00 -1.74 0.00 0.00 39.64 37.38 2kjp n ILE 80 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2kjp n GLY 81 N 2.66 -0.66 0.50 3.28 0.00 -1.26 -4.86 105.19 104.84 2kjp n GLY 81 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.29 2kjp n GLY 81 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2kjp n VAL 82 N -2.14 0.00 0.25 1.61 0.24 -1.26 -3.86 118.33 113.18 2kjp n VAL 82 Ca -0.03 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.43 2kjp n VAL 82 Cb 0.54 -0.35 0.81 0.00 -1.47 0.00 0.00 33.84 33.38 2kjp n VAL 82 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 2kjp h SER 83 N 0.31 0.00 -3.91 -1.34 0.87 -2.05 -3.43 113.55 104.00 2kjp h SER 83 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 2kjp h SER 83 Cb 0.35 0.00 0.09 0.00 -0.44 0.00 0.00 62.40 62.40 2kjp h SER 83 CO 0.00 0.00 0.74 -0.22 -0.53 0.00 0.00 176.83 176.82 2kjp s LEU 84 N -5.19 4.35 -0.06 2.23 2.96 -1.25 -5.00 118.68 116.72 2kjp s LEU 84 Ca -0.02 2.94 -0.30 0.00 -0.22 0.00 0.00 54.13 56.53 2kjp s LEU 84 Cb 0.09 -3.66 0.11 0.00 0.50 0.00 0.00 46.19 43.23 2kjp s LEU 84 CO 0.31 -0.77 0.93 -1.83 -1.32 0.00 0.00 176.35 173.67 2kjp s GLU 85 N -1.96 0.74 -0.37 1.98 -1.05 -1.26 -5.13 118.70 111.64 2kjp s GLU 85 Ca 0.52 -0.15 -0.02 0.00 -0.15 0.00 0.00 54.97 55.17 2kjp s GLU 85 Cb -0.44 0.34 0.19 0.00 -0.44 0.00 0.00 34.13 33.77 2kjp s GLU 85 CO 0.60 -0.30 0.88 -1.58 0.95 0.00 0.00 175.26 175.81 2kjp s HIS 86 N -2.49 -0.94 0.11 4.83 2.46 -1.26 -5.04 115.29 112.96 2kjp s HIS 86 Ca 0.03 0.06 -0.20 0.00 0.47 0.00 0.00 55.06 55.42 2kjp s HIS 86 Cb -0.01 0.17 -0.07 0.00 -0.13 0.00 0.00 32.58 32.54 2kjp s HIS 86 CO -0.05 -0.66 1.71 1.25 -2.47 0.00 0.00 174.74 174.52 2kjp h HIS 87 N 5.82 0.29 -4.15 3.88 2.76 -2.05 -3.43 115.15 118.27 2kjp h HIS 87 Ca 0.00 -0.01 -0.50 0.00 -2.20 0.00 0.00 60.37 57.66 2kjp h HIS 87 Cb 1.20 -0.09 0.17 0.00 1.55 0.00 0.00 27.41 30.23 2kjp h HIS 87 CO 0.00 0.26 0.24 -1.01 -1.30 0.00 0.00 177.93 176.12 2kjp s HIS 88 N -5.88 2.05 -0.28 5.26 3.76 -1.26 -5.06 115.29 113.89 2kjp s HIS 88 Ca -0.13 1.55 -0.24 0.00 -0.15 0.00 0.00 55.06 56.09 2kjp s HIS 88 Cb 0.08 -3.18 0.11 0.00 1.11 0.00 0.00 32.58 30.70 2kjp s HIS 88 CO 0.70 -2.49 0.94 -3.38 -0.85 0.00 0.00 174.74 169.66 2kjp s HIS 89 N -2.77 -0.57 0.20 1.40 -3.43 -1.26 -5.04 115.29 103.81 2kjp s HIS 89 Ca 0.64 1.37 -0.07 0.00 -0.80 0.00 0.00 55.06 56.20 2kjp s HIS 89 Cb -0.20 0.35 0.14 0.00 -1.43 0.00 0.00 32.58 31.43 2kjp s HIS 89 CO 0.58 -0.28 1.69 1.25 -2.00 0.00 0.00 174.74 175.98 2kjp h HIS 90 N 4.56 1.12 0.00 0.38 2.76 -2.00 -3.56 115.15 118.41 2kjp h HIS 90 Ca -0.28 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 2kjp h HIS 90 Cb 1.17 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.83 2kjp h HIS 90 CO 0.32 0.96 0.00 -2.39 -1.30 0.00 0.00 177.93 175.52