#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjp h GLY 2 N 0.00 0.98 2.00 8.20 0.00 -1.99 -1.81 103.07 110.45 2kjp h GLY 2 Ca 0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2kjp h GLY 2 CO 0.00 0.45 -0.14 0.16 0.00 0.00 0.00 176.54 177.01 2kjp h ILE 3 N 0.88 0.42 -2.10 2.60 3.07 -1.95 -3.40 117.51 117.02 2kjp h ILE 3 Ca 0.22 -0.77 -0.24 0.00 1.55 0.00 0.00 64.86 65.62 2kjp h ILE 3 Cb 0.10 1.55 -0.32 0.00 -0.27 0.00 0.00 36.82 37.88 2kjp h ILE 3 CO -0.03 0.13 -0.56 -0.31 -1.05 0.00 0.00 178.15 176.33 2kjp s TYR 4 N -3.84 -0.62 -0.34 0.16 2.02 -0.72 -4.16 117.35 109.86 2kjp s TYR 4 Ca -0.01 0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.78 2kjp s TYR 4 Cb 0.11 -0.22 -0.00 0.00 -0.40 0.00 0.00 41.96 41.45 2kjp s TYR 4 CO 0.59 -0.77 1.50 0.00 -1.57 0.00 0.00 175.55 175.30 2kjp s ALA 5 N 2.44 3.13 -0.19 3.71 0.00 -0.98 -4.05 121.76 125.83 2kjp s ALA 5 Ca 0.10 0.10 0.18 0.00 0.00 0.00 0.00 51.96 52.34 2kjp s ALA 5 Cb -0.15 -3.90 0.00 0.00 0.00 0.00 0.00 23.12 19.07 2kjp s ALA 5 CO -0.21 -2.22 1.15 0.66 0.00 0.00 0.00 175.76 175.14 2kjp h SER 6 N 10.80 0.00 -4.36 0.00 4.64 -1.93 1.03 113.55 123.73 2kjp h SER 6 Ca -0.30 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.09 2kjp h SER 6 Cb 1.12 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.01 2kjp h SER 6 CO 1.05 0.39 0.48 -0.94 -0.87 0.00 0.00 176.83 176.93 2kjp s SER 7 N -5.97 -0.41 0.04 4.97 1.04 -1.26 -4.80 113.70 107.31 2kjp s SER 7 Ca 0.01 0.37 -0.12 0.00 0.48 0.00 0.00 55.95 56.68 2kjp s SER 7 Cb 0.08 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.57 2kjp s SER 7 CO 0.77 -0.44 0.27 -0.69 0.98 0.00 0.00 173.24 174.13 2kjp s VAL 8 N -1.53 0.09 -0.13 5.02 1.01 -1.26 -4.71 120.40 118.89 2kjp s VAL 8 Ca -0.02 -0.75 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2kjp s VAL 8 Cb -0.00 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 2kjp s VAL 8 CO 0.01 -0.41 0.02 -0.69 0.00 0.00 0.00 175.10 174.03 2kjp s VAL 9 N -2.60 4.48 0.00 2.92 1.01 -1.26 -5.02 120.40 119.92 2kjp s VAL 9 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2kjp s VAL 9 Cb -0.01 -2.95 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2kjp s VAL 9 CO -0.04 0.54 0.00 1.21 0.00 0.00 0.00 175.10 176.81 2kjp n GLU 10 N 2.86 2.41 -1.53 2.72 4.07 -1.26 -4.60 120.64 125.31 2kjp n GLU 10 Ca -0.18 0.00 -0.18 0.00 -0.06 0.00 0.00 57.16 56.74 2kjp n GLU 10 Cb 0.53 0.00 -0.08 0.00 -0.06 0.00 0.00 31.44 31.83 2kjp n GLU 10 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2kjp n ASN 11 N 0.00 -5.31 -4.62 4.31 3.02 -1.26 -4.98 115.26 106.43 2kjp n ASN 11 Ca 0.00 0.45 -0.24 0.00 -0.03 0.00 0.00 54.58 54.76 2kjp n ASN 11 Cb 0.00 -4.41 -0.08 0.00 -0.61 0.00 0.00 39.78 34.68 2kjp n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kjp s MET 12 N -3.54 2.10 0.25 3.52 0.23 -1.26 -4.96 119.30 115.65 2kjp s MET 12 Ca 0.00 -1.64 0.14 0.00 -1.03 0.00 0.00 55.69 53.16 2kjp s MET 12 Cb 0.00 -1.99 0.77 0.00 -1.53 0.00 0.00 34.83 32.08 2kjp s MET 12 CO 0.00 0.23 1.38 -0.35 -2.03 0.00 0.00 175.02 174.25 2kjp n PRO 13 N -0.90 0.09 -1.37 3.16 -0.04 -1.26 -4.76 135.00 129.92 2kjp n PRO 13 Ca -0.05 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 63.98 2kjp n PRO 13 Cb 0.61 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.63 -0.28 -1.59 0.55 0.00 -1.26 -4.73 120.51 111.56 2kjp n ALA 14 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.02 2kjp n ALA 14 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -2.73 2.77 0.00 0.00 2.47 -1.26 -3.34 119.74 117.65 2kjp s LYS 15 Ca 0.00 1.81 0.00 0.00 -1.56 0.00 0.00 55.97 56.22 2kjp s LYS 15 Cb 0.00 -4.45 0.00 0.00 -1.46 0.00 0.00 37.83 31.92 2kjp s LYS 15 CO 0.00 -2.52 0.00 0.41 0.16 0.00 0.00 175.35 173.40 2kjp n GLY 16 N 5.85 -0.27 2.85 5.54 0.00 -1.26 -4.82 105.19 113.08 2kjp n GLY 16 Ca 0.32 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.77 1.12 -0.04 1.61 -2.85 -1.21 -4.87 119.74 110.73 2kjp s LYS 17 Ca 0.00 -1.10 0.05 0.00 -1.00 0.00 0.00 55.97 53.92 2kjp s LYS 17 Cb 0.00 -2.40 -0.03 0.00 -2.06 0.00 0.00 37.83 33.35 2kjp s LYS 17 CO 0.00 -0.81 -0.16 -1.50 0.10 0.00 0.00 175.35 172.97 2kjp s ILE 18 N 1.46 2.88 -0.19 3.79 1.10 -1.26 -4.70 121.20 124.28 2kjp s ILE 18 Ca 0.04 -0.83 -0.05 0.00 -0.51 0.00 0.00 60.65 59.30 2kjp s ILE 18 Cb -0.18 -2.12 0.07 0.00 0.15 0.00 0.00 42.46 40.39 2kjp s ILE 18 CO -0.14 0.56 0.13 -1.61 -2.11 0.00 0.00 174.94 171.78 2kjp s GLU 19 N -0.79 0.11 -0.31 3.50 8.01 -1.26 -4.93 118.70 123.03 2kjp s GLU 19 Ca 0.12 -0.05 -0.12 0.00 0.01 0.00 0.00 54.97 54.93 2kjp s GLU 19 Cb -0.10 -1.57 0.19 0.00 -4.31 0.00 0.00 34.13 28.33 2kjp s GLU 19 CO 0.01 -0.71 1.10 0.54 0.01 0.00 0.00 175.26 176.21 2kjp s VAL 20 N 2.19 -0.11 0.00 2.63 0.11 -1.26 -4.49 120.40 119.47 2kjp s VAL 20 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 2kjp s VAL 20 Cb -0.16 -0.01 0.00 0.00 -1.53 0.00 0.00 36.38 34.68 2kjp s VAL 20 CO -0.13 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.25 2kjp n GLY 21 N 3.69 3.03 3.71 6.54 0.00 0.35 -4.99 105.19 117.53 2kjp n GLY 21 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 3.62 -0.08 1.61 1.01 -1.26 -4.78 116.67 115.99 2kjp s ASP 22 Ca 0.00 1.86 -0.01 0.00 0.71 0.00 0.00 52.55 55.11 2kjp s ASP 22 Cb 0.00 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.44 2kjp s ASP 22 CO 0.00 -2.60 -0.03 -0.75 0.21 0.00 0.00 175.17 172.00 2kjp s LYS 23 N -4.81 2.87 -0.34 8.23 2.20 -1.26 -4.04 119.74 122.59 2kjp s LYS 23 Ca 0.64 -0.47 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 2kjp s LYS 23 Cb -0.19 -2.70 -0.01 0.00 -1.51 0.00 0.00 37.83 33.41 2kjp s LYS 23 CO 0.57 0.69 0.30 0.96 -0.36 0.00 0.00 175.35 177.51 2kjp s ILE 24 N -0.85 5.23 0.04 5.43 -0.00 -1.26 -2.72 121.20 127.07 2kjp s ILE 24 Ca 0.13 -0.08 -0.23 0.00 -0.00 0.00 0.00 60.65 60.47 2kjp s ILE 24 Cb -0.11 -3.77 -0.15 0.00 -0.00 0.00 0.00 42.46 38.43 2kjp s ILE 24 CO 0.02 -0.05 1.47 0.40 -0.00 0.00 0.00 174.94 176.78 2kjp h ILE 25 N 5.51 1.25 -2.23 8.37 2.04 -1.90 -3.48 117.51 127.07 2kjp h ILE 25 Ca -0.31 -0.79 0.16 0.00 1.00 0.00 0.00 64.86 64.93 2kjp h ILE 25 Cb 1.15 1.60 -0.12 0.00 -0.74 0.00 0.00 36.82 38.71 2kjp h ILE 25 CO 0.66 0.22 0.52 -0.94 0.00 0.00 0.00 178.15 178.62 2kjp s SER 26 N -5.67 -0.24 -0.05 1.72 1.04 -1.26 -4.86 113.70 104.38 2kjp s SER 26 Ca -0.14 -0.21 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2kjp s SER 26 Cb 0.05 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.60 2kjp s SER 26 CO 0.70 -0.73 -0.08 0.00 0.98 0.00 0.00 173.24 174.12 2kjp s ALA 27 N -3.13 0.89 -1.43 5.32 0.00 -1.00 -2.58 121.76 119.83 2kjp s ALA 27 Ca 0.09 -0.19 -0.03 0.00 0.00 0.00 0.00 51.96 51.83 2kjp s ALA 27 Cb -0.01 -0.46 0.01 0.00 0.00 0.00 0.00 23.12 22.66 2kjp s ALA 27 CO -0.03 0.05 0.22 -3.47 0.00 0.00 0.00 175.76 172.53 2kjp n ASP 28 N 3.90 -5.00 0.00 0.00 2.03 0.66 -0.27 116.55 117.87 2kjp n ASP 28 Ca -0.24 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.00 2kjp n ASP 28 Cb 0.51 -4.15 0.00 0.00 -0.72 0.00 0.00 41.12 36.76 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 -1.09 0.71 3.74 0.27 0.00 -1.26 -4.96 105.19 102.60 2kjp n GLY 29 Ca -0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.39 4.23 0.48 1.61 -0.14 0.63 -5.09 119.74 121.07 2kjp s LYS 30 Ca 0.00 0.20 -0.05 0.00 -1.36 0.00 0.00 55.97 54.77 2kjp s LYS 30 Cb 0.00 -3.41 -0.03 0.00 -1.68 0.00 0.00 37.83 32.71 2kjp s LYS 30 CO 0.00 0.27 0.77 -0.80 -0.76 0.00 0.00 175.35 174.83 2kjp s ASN 31 N 0.35 6.19 -0.33 2.83 0.02 -1.26 -2.37 114.94 120.36 2kjp s ASN 31 Ca 0.19 0.84 0.04 0.00 -1.02 0.00 0.00 52.86 52.91 2kjp s ASN 31 Cb -0.14 -2.16 0.17 0.00 0.02 0.00 0.00 41.25 39.14 2kjp s ASN 31 CO 0.06 -0.60 0.45 -0.31 0.02 0.00 0.00 177.10 176.73 2kjp s TYR 32 N -2.72 -1.02 0.16 2.20 2.02 -1.26 -5.00 117.35 111.73 2kjp s TYR 32 Ca 0.47 0.06 -0.12 0.00 -0.37 0.00 0.00 57.07 57.12 2kjp s TYR 32 Cb -0.10 -0.10 0.03 0.00 -0.40 0.00 0.00 41.96 41.38 2kjp s TYR 32 CO 0.44 -1.03 1.61 1.96 -1.57 0.00 0.00 175.55 176.97 2kjp h GLN 33 N 7.65 0.91 -5.54 -0.62 1.08 -2.00 -3.42 115.11 113.17 2kjp h GLN 33 Ca -0.02 -0.28 -0.59 0.00 -1.45 0.00 0.00 58.65 56.30 2kjp h GLN 33 Cb 1.12 -0.08 -0.10 0.00 -0.05 0.00 0.00 27.48 28.36 2kjp h GLN 33 CO 0.21 0.93 -0.18 -1.12 -0.95 0.00 0.00 178.83 177.72 2kjp s SER 34 N -6.39 6.52 0.34 1.46 0.01 -1.26 -4.97 113.70 109.41 2kjp s SER 34 Ca -0.12 0.62 0.04 0.00 1.31 0.00 0.00 55.95 57.80 2kjp s SER 34 Cb 0.12 -2.25 0.66 0.00 0.21 0.00 0.00 66.02 64.76 2kjp s SER 34 CO 0.83 -0.04 1.94 0.00 0.41 0.00 0.00 173.24 176.37 2kjp h ALA 35 N 7.09 1.63 -0.95 1.44 0.00 -2.01 -1.54 119.26 124.92 2kjp h ALA 35 Ca -0.38 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.60 2kjp h ALA 35 Cb 1.17 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2kjp h ALA 35 CO 0.74 0.24 0.61 1.49 0.00 0.00 0.00 179.25 182.33 2kjp h GLU 36 N 0.86 0.97 -0.25 0.00 4.57 -1.96 -1.39 114.58 117.38 2kjp h GLU 36 Ca 0.35 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.40 2kjp h GLU 36 Cb 0.26 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2kjp h GLU 36 CO -0.13 0.64 -0.13 0.87 -1.18 0.00 0.00 179.01 179.08 2kjp h LYS 37 N 1.00 0.53 0.22 1.92 1.79 -1.69 -1.74 116.57 118.61 2kjp h LYS 37 Ca 0.44 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2kjp h LYS 37 Cb 0.36 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2kjp h LYS 37 CO -0.20 0.80 -0.20 1.25 -1.08 0.00 0.00 179.45 180.02 2kjp h LEU 38 N 0.25 -0.52 -0.56 2.94 5.85 -1.02 0.53 115.31 122.79 2kjp h LEU 38 Ca 0.05 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 2kjp h LEU 38 Cb 0.65 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 2kjp h LEU 38 CO 0.04 -0.30 0.28 -0.29 -0.34 0.00 0.00 178.44 177.83 2kjp h ILE 39 N -0.44 1.20 -0.83 4.05 2.10 -1.36 -2.29 117.51 119.94 2kjp h ILE 39 Ca -0.01 -0.54 -0.01 0.00 1.08 0.00 0.00 64.86 65.38 2kjp h ILE 39 Cb 0.40 0.54 -0.04 0.00 -1.09 0.00 0.00 36.82 36.63 2kjp h ILE 39 CO -0.03 0.22 0.48 -0.78 -1.08 0.00 0.00 178.15 176.96 2kjp h ASP 40 N 0.75 1.02 -0.49 2.19 3.58 -1.02 -1.68 116.42 120.76 2kjp h ASP 40 Ca 0.19 -0.07 0.03 0.00 0.42 0.00 0.00 57.03 57.60 2kjp h ASP 40 Cb 0.10 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.85 2kjp h ASP 40 CO -0.03 0.80 0.28 0.22 -2.88 0.00 0.00 179.24 177.63 2kjp h TYR 41 N 1.16 0.51 -0.60 0.28 3.20 0.63 -1.91 116.97 120.23 2kjp h TYR 41 Ca 0.30 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2kjp h TYR 41 Cb -0.01 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2kjp h TYR 41 CO 0.01 0.28 0.27 0.82 -1.64 0.00 0.00 178.16 177.89 2kjp h ILE 42 N 0.55 1.22 -3.25 1.81 1.08 -1.09 -3.46 117.51 114.36 2kjp h ILE 42 Ca 0.20 -0.66 -0.28 0.00 -0.39 0.00 0.00 64.86 63.74 2kjp h ILE 42 Cb 0.06 0.53 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 2kjp h ILE 42 CO -0.11 0.26 -0.33 -0.24 -0.69 0.00 0.00 178.15 177.03 2kjp n SER 43 N -4.49 -4.13 -0.85 1.72 2.88 -0.67 0.23 113.62 108.31 2kjp n SER 43 Ca 0.04 0.19 -0.11 0.00 -1.33 0.00 0.00 58.87 57.66 2kjp n SER 43 Cb 0.14 -3.55 -0.05 0.00 -0.75 0.00 0.00 64.21 60.01 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 -1.60 -5.18 -2.88 -3.46 2.88 -1.26 -4.83 113.62 97.28 2kjp n SER 44 Ca -0.16 0.27 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 2kjp n SER 44 Cb 0.59 -3.66 -0.03 0.00 -0.75 0.00 0.00 64.21 60.36 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 -1.55 1.24 -4.94 -1.46 4.76 0.13 -4.76 118.16 111.59 2kjp n LYS 45 Ca -0.11 -0.93 -0.28 0.00 -2.87 0.00 0.00 58.31 54.12 2kjp n LYS 45 Cb 0.51 -2.13 -0.16 0.00 -1.84 0.00 0.00 35.03 31.41 2kjp n LYS 45 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2kjp s LYS 46 N 3.40 2.09 0.00 1.97 -2.85 -1.26 -4.64 119.74 118.44 2kjp s LYS 46 Ca 0.27 -0.68 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 2kjp s LYS 46 Cb 0.09 -1.75 0.00 0.00 -2.06 0.00 0.00 37.83 34.11 2kjp s LYS 46 CO -0.02 0.23 0.00 0.00 0.10 0.00 0.00 175.35 175.67 2kjp n ALA 47 N 3.24 0.00 0.00 0.59 0.00 -1.26 -4.47 120.51 118.61 2kjp n ALA 47 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kjp n ALA 47 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.22 3.75 0.00 0.00 -1.17 -4.64 105.19 103.35 2kjp n GLY 48 Ca 0.00 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 5.39 0.10 1.61 1.01 -1.26 -4.24 116.67 119.28 2kjp s ASP 49 Ca 0.00 2.68 -0.03 0.00 0.71 0.00 0.00 52.55 55.92 2kjp s ASP 49 Cb 0.00 -2.63 -0.05 0.00 1.01 0.00 0.00 42.92 41.25 2kjp s ASP 49 CO 0.00 -1.48 0.29 -0.54 0.21 0.00 0.00 175.17 173.65 2kjp s LYS 50 N -2.90 3.53 -0.03 8.23 1.02 -1.26 -2.33 119.74 126.01 2kjp s LYS 50 Ca 0.71 -0.26 -0.26 0.00 0.02 0.00 0.00 55.97 56.19 2kjp s LYS 50 Cb -0.38 -2.95 0.06 0.00 -0.52 0.00 0.00 37.83 34.04 2kjp s LYS 50 CO 0.45 0.54 0.56 0.54 -0.92 0.00 0.00 175.35 176.53 2kjp s VAL 51 N -1.58 0.02 -0.38 3.17 0.11 -1.26 -5.02 120.40 115.47 2kjp s VAL 51 Ca 0.38 -0.15 -0.13 0.00 -2.93 0.00 0.00 61.98 59.14 2kjp s VAL 51 Cb -0.13 -0.90 0.01 0.00 -1.53 0.00 0.00 36.38 33.83 2kjp s VAL 51 CO 0.26 -0.08 0.26 0.42 -3.33 0.00 0.00 175.10 172.62 2kjp s THR 52 N -1.42 5.12 -0.20 5.04 -4.23 -1.26 -4.73 115.64 113.96 2kjp s THR 52 Ca -0.11 -0.53 -0.01 0.00 -1.18 0.00 0.00 61.69 59.86 2kjp s THR 52 Cb -0.01 -3.76 0.01 0.00 1.34 0.00 0.00 72.50 70.07 2kjp s THR 52 CO 0.07 -0.18 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.62 2kjp s LEU 53 N 1.67 2.46 -0.02 4.79 2.96 -1.26 -0.25 118.68 129.04 2kjp s LEU 53 Ca 0.05 -0.54 -0.17 0.00 -0.22 0.00 0.00 54.13 53.25 2kjp s LEU 53 Cb -0.18 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2kjp s LEU 53 CO 0.09 -0.01 0.48 -0.54 -1.32 0.00 0.00 176.35 175.06 2kjp s LYS 54 N 1.36 4.14 0.25 1.98 1.02 -1.07 -4.85 119.74 122.58 2kjp s LYS 54 Ca 0.05 0.52 0.09 0.00 0.02 0.00 0.00 55.97 56.66 2kjp s LYS 54 Cb -0.14 -3.30 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 2kjp s LYS 54 CO -0.09 0.50 -0.15 0.42 -0.92 0.00 0.00 175.35 175.11 2kjp s ILE 55 N -0.52 2.04 -0.14 2.17 -1.09 -1.26 -3.27 121.20 119.13 2kjp s ILE 55 Ca 0.26 -2.28 0.01 0.00 -2.23 0.00 0.00 60.65 56.41 2kjp s ILE 55 Cb -0.17 -2.23 -0.01 0.00 -1.58 0.00 0.00 42.46 38.47 2kjp s ILE 55 CO 0.14 -0.46 -0.15 -0.70 -1.23 0.00 0.00 174.94 172.54 2kjp s GLU 56 N -3.60 3.26 -0.06 2.79 2.56 -1.10 -3.86 118.70 118.69 2kjp s GLU 56 Ca 0.27 -0.74 -0.02 0.00 0.00 0.00 0.00 54.97 54.47 2kjp s GLU 56 Cb -0.02 -2.59 0.04 0.00 2.00 0.00 0.00 34.13 33.56 2kjp s GLU 56 CO 0.11 0.11 0.11 1.03 -0.56 0.00 0.00 175.26 176.06 2kjp s ARG 57 N 0.58 0.01 -1.62 4.30 0.52 0.14 -4.53 118.95 118.34 2kjp s ARG 57 Ca -0.09 0.41 -0.09 0.00 -0.52 0.00 0.00 55.73 55.44 2kjp s ARG 57 Cb -0.16 -0.31 0.09 0.00 0.52 0.00 0.00 34.95 35.09 2kjp s ARG 57 CO 0.03 -0.26 0.39 0.39 0.02 0.00 0.00 175.30 175.88 2kjp n GLU 58 N 4.88 -1.90 -2.36 3.54 1.02 -1.26 0.10 120.64 124.66 2kjp n GLU 58 Ca -0.13 0.23 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 2kjp n GLU 58 Cb 0.50 -4.37 -0.01 0.00 -0.02 0.00 0.00 31.44 27.55 2kjp n GLU 58 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kjp n GLU 59 N -4.39 -1.54 -4.07 3.49 1.02 -1.26 -5.00 120.64 108.88 2kjp n GLU 59 Ca -0.14 0.84 -0.13 0.00 -0.02 0.00 0.00 57.16 57.71 2kjp n GLU 59 Cb 0.60 -5.32 -0.11 0.00 -0.02 0.00 0.00 31.44 26.59 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 -4.91 0.56 0.13 3.49 1.02 0.29 -5.17 119.74 115.15 2kjp s LYS 60 Ca 0.01 -0.82 0.10 0.00 0.02 0.00 0.00 55.97 55.28 2kjp s LYS 60 Cb -0.01 -0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2kjp s LYS 60 CO 0.02 0.04 -0.24 -1.83 -0.92 0.00 0.00 175.35 172.41 2kjp s GLU 61 N -1.85 1.52 0.03 1.68 -1.05 -1.26 0.27 118.70 118.03 2kjp s GLU 61 Ca -0.08 -1.30 0.02 0.00 -0.15 0.00 0.00 54.97 53.47 2kjp s GLU 61 Cb -0.08 -1.96 -0.02 0.00 -0.44 0.00 0.00 34.13 31.63 2kjp s GLU 61 CO -0.00 0.46 -0.07 0.15 0.95 0.00 0.00 175.26 176.74 2kjp s LYS 62 N -2.08 0.52 -0.03 -4.83 1.02 -1.25 -5.03 119.74 108.05 2kjp s LYS 62 Ca 0.15 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.61 2kjp s LYS 62 Cb -0.10 -0.37 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2kjp s LYS 62 CO 0.07 0.08 -0.10 -0.98 -0.92 0.00 0.00 175.35 173.51 2kjp s ARG 63 N -1.04 1.11 0.00 1.68 1.70 -1.26 -4.20 118.95 116.94 2kjp s ARG 63 Ca -0.05 -0.34 -0.15 0.00 -0.47 0.00 0.00 55.73 54.72 2kjp s ARG 63 Cb -0.07 -1.01 0.02 0.00 -0.57 0.00 0.00 34.95 33.32 2kjp s ARG 63 CO 0.00 0.11 0.33 0.14 -1.08 0.00 0.00 175.30 174.80 2kjp s VAL 64 N 0.24 0.06 -0.33 4.99 -7.23 -1.26 -5.14 120.40 111.73 2kjp s VAL 64 Ca -0.04 -0.50 -0.14 0.00 -1.81 0.00 0.00 61.98 59.48 2kjp s VAL 64 Cb -0.10 -0.72 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 2kjp s VAL 64 CO 0.01 -0.28 0.32 -0.89 -0.31 0.00 0.00 175.10 173.95 2kjp s THR 65 N -1.66 5.21 0.19 5.32 2.01 -1.26 -4.83 115.64 120.61 2kjp s THR 65 Ca -0.11 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2kjp s THR 65 Cb -0.04 -3.77 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 2kjp s THR 65 CO 0.02 -0.04 0.07 -1.48 -0.69 0.00 0.00 174.62 172.50 2kjp s LEU 66 N 1.93 1.71 -0.10 4.42 2.34 -1.26 -5.13 118.68 122.58 2kjp s LEU 66 Ca 0.10 -1.28 -0.02 0.00 0.06 0.00 0.00 54.13 52.99 2kjp s LEU 66 Cb -0.17 0.15 -0.03 0.00 -0.56 0.00 0.00 46.19 45.58 2kjp s LEU 66 CO 0.11 -0.71 -0.00 0.28 -1.06 0.00 0.00 176.35 174.97 2kjp s THR 67 N -3.89 4.27 1.09 5.48 -1.32 -1.26 -4.27 115.64 115.74 2kjp s THR 67 Ca 0.30 -0.26 -0.13 0.00 -1.21 0.00 0.00 61.69 60.40 2kjp s THR 67 Cb 0.07 -2.81 0.24 0.00 -1.51 0.00 0.00 72.50 68.50 2kjp s THR 67 CO 0.07 0.59 1.06 -0.76 -2.21 0.00 0.00 174.62 173.38 2kjp s LEU 68 N -0.70 1.13 0.13 9.08 1.43 -0.99 -4.88 118.68 123.88 2kjp s LEU 68 Ca 0.11 1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 2kjp s LEU 68 Cb -0.12 -3.26 -0.00 0.00 0.03 0.00 0.00 46.19 42.85 2kjp s LEU 68 CO 0.02 -3.68 0.25 -0.54 0.23 0.00 0.00 176.35 172.63 2kjp s LYS 69 N -4.81 1.00 0.01 1.70 -0.14 -1.26 -3.03 119.74 113.21 2kjp s LYS 69 Ca 0.67 -1.03 0.04 0.00 -1.36 0.00 0.00 55.97 54.28 2kjp s LYS 69 Cb -0.20 0.37 -0.01 0.00 -1.68 0.00 0.00 37.83 36.30 2kjp s LYS 69 CO 0.60 -0.35 -0.11 1.14 -0.76 0.00 0.00 175.35 175.87 2kjp s GLN 70 N -3.90 0.86 0.37 1.68 -2.07 -1.26 -4.06 119.66 111.27 2kjp s GLN 70 Ca 0.10 -0.51 -0.27 0.00 -1.82 0.00 0.00 55.36 52.86 2kjp s GLN 70 Cb 0.04 -0.83 -0.11 0.00 -1.09 0.00 0.00 33.01 31.01 2kjp s GLN 70 CO -0.06 0.22 1.28 1.19 -1.32 0.00 0.00 175.29 176.59 2kjp n PHE 71 N 2.47 2.21 0.11 9.60 3.72 -1.26 -4.97 117.46 129.34 2kjp n PHE 71 Ca -0.15 0.54 -0.06 0.00 -0.05 0.00 0.00 57.45 57.73 2kjp n PHE 71 Cb 0.56 -2.40 -0.03 0.00 -0.94 0.00 0.00 39.48 36.67 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 2.39 -0.35 0.00 -1.08 0.13 -1.95 -3.26 132.00 127.88 2kjp h PRO 72 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2kjp h PRO 72 Cb 1.29 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2kjp h PRO 72 CO 0.62 -0.23 0.02 -0.25 -0.23 0.00 0.00 178.00 177.92 2kjp n ASP 73 N -4.66 0.12 -3.45 1.44 8.00 -1.26 -3.33 116.55 113.42 2kjp n ASP 73 Ca -0.04 0.54 -0.27 0.00 0.71 0.00 0.00 54.79 55.73 2kjp n ASP 73 Cb 0.14 -0.56 -0.10 0.00 -0.02 0.00 0.00 41.12 40.59 2kjp n ASP 73 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2kjp n GLU 74 N -1.65 0.76 0.08 -1.24 4.07 -1.24 -4.94 120.64 116.49 2kjp n GLU 74 Ca -0.00 -3.53 0.13 0.00 -0.06 0.00 0.00 57.16 53.69 2kjp n GLU 74 Cb 0.02 -1.73 0.32 0.00 -0.06 0.00 0.00 31.44 29.99 2kjp n GLU 74 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2kjp n PRO 75 N 2.24 0.26 0.19 5.31 -0.04 -1.21 -3.51 135.00 138.25 2kjp n PRO 75 Ca 0.26 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 2kjp n PRO 75 Cb 0.46 -1.75 0.37 0.00 -0.04 0.00 0.00 33.50 32.54 2kjp n PRO 75 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kjp h ASP 76 N 0.00 0.00 -4.83 3.54 3.58 -1.92 -3.45 116.42 113.35 2kjp h ASP 76 Ca 0.00 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2kjp h ASP 76 Cb 0.73 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 41.60 2kjp h ASP 76 CO 0.00 0.35 -0.71 -0.13 -2.88 0.00 0.00 179.24 175.87 2kjp s ARG 77 N -3.66 0.59 0.02 0.28 0.52 -1.23 -5.17 118.95 110.30 2kjp s ARG 77 Ca -0.00 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.25 2kjp s ARG 77 Cb 0.11 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.45 2kjp s ARG 77 CO 0.68 -0.01 -0.04 0.00 0.02 0.00 0.00 175.30 175.95 2kjp s ALA 78 N -2.41 0.24 -0.22 2.13 0.00 -1.26 -4.50 121.76 115.73 2kjp s ALA 78 Ca -0.02 -0.45 -0.01 0.00 0.00 0.00 0.00 51.96 51.47 2kjp s ALA 78 Cb -0.03 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2kjp s ALA 78 CO -0.03 -0.06 0.02 0.41 0.00 0.00 0.00 175.76 176.11 2kjp n GLY 79 N 2.07 -3.40 3.21 0.00 0.00 -1.26 -4.91 105.19 100.90 2kjp n GLY 79 Ca -0.20 0.49 -0.13 0.00 0.00 0.00 0.00 46.02 46.18 2kjp n GLY 79 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2kjp s ILE 80 N -1.37 0.02 -1.00 -0.61 2.07 -1.26 -5.07 121.20 113.97 2kjp s ILE 80 Ca -0.03 -0.15 -0.22 0.00 -1.41 0.00 0.00 60.65 58.85 2kjp s ILE 80 Cb 0.00 -0.49 0.07 0.00 0.13 0.00 0.00 42.46 42.17 2kjp s ILE 80 CO 0.60 -0.08 1.37 -0.83 -1.91 0.00 0.00 174.94 174.09 2kjp s GLY 81 N -0.27 1.46 0.30 1.50 0.00 -1.26 -4.66 107.32 104.40 2kjp s GLY 81 Ca -0.04 -2.42 -0.29 0.00 0.00 0.00 0.00 44.72 41.96 2kjp s GLY 81 CO 0.01 2.50 1.34 0.14 0.00 0.00 0.00 173.10 177.09 2kjp s VAL 82 N 4.29 2.74 -1.02 1.40 1.01 -1.26 -4.90 120.40 122.67 2kjp s VAL 82 Ca 0.42 0.71 -0.23 0.00 0.00 0.00 0.00 61.98 62.88 2kjp s VAL 82 Cb -0.01 -3.45 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 2kjp s VAL 82 CO -0.09 0.15 1.81 -0.55 0.00 0.00 0.00 175.10 176.41 2kjp s SER 83 N -0.22 5.60 0.25 3.32 0.15 -1.26 -4.77 113.70 116.77 2kjp s SER 83 Ca 0.52 -1.22 -0.02 0.00 0.70 0.00 0.00 55.95 55.93 2kjp s SER 83 Cb -0.40 -2.57 0.32 0.00 -1.71 0.00 0.00 66.02 61.66 2kjp s SER 83 CO 0.50 -2.37 1.74 -0.07 1.20 0.00 0.00 173.24 174.23 2kjp h LEU 84 N 16.14 0.75 -2.23 3.45 3.38 -1.93 -2.37 115.31 132.49 2kjp h LEU 84 Ca 0.18 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2kjp h LEU 84 Cb 0.98 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2kjp h LEU 84 CO 1.29 0.85 0.26 1.05 0.09 0.00 0.00 178.44 181.97 2kjp h GLU 85 N 0.71 0.00 -0.08 1.13 4.11 -2.00 -1.56 114.58 116.89 2kjp h GLU 85 Ca 0.13 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2kjp h GLU 85 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 2kjp h GLU 85 CO 0.03 0.00 0.05 1.25 0.07 0.00 0.00 179.01 180.41 2kjp h HIS 86 N 0.00 0.11 -3.83 2.06 2.76 -1.82 -3.43 115.15 111.00 2kjp h HIS 86 Ca 0.05 -0.00 -0.48 0.00 -2.20 0.00 0.00 60.37 57.74 2kjp h HIS 86 Cb 0.57 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 29.47 2kjp h HIS 86 CO 0.00 0.13 0.17 -1.01 -1.30 0.00 0.00 177.93 175.92 2kjp s HIS 87 N -5.96 3.38 0.25 5.26 3.76 -0.59 -5.02 115.29 116.37 2kjp s HIS 87 Ca -0.13 1.29 -0.30 0.00 -0.15 0.00 0.00 55.06 55.76 2kjp s HIS 87 Cb 0.07 -2.60 -0.10 0.00 1.11 0.00 0.00 32.58 31.05 2kjp s HIS 87 CO 0.68 -0.02 1.46 -1.01 -0.85 0.00 0.00 174.74 174.99 2kjp s HIS 88 N -2.15 3.00 0.08 1.40 0.09 -1.26 -4.93 115.29 111.51 2kjp s HIS 88 Ca 0.56 0.98 -0.31 0.00 -0.00 0.00 0.00 55.06 56.29 2kjp s HIS 88 Cb -0.10 -3.85 -0.08 0.00 -0.00 0.00 0.00 32.58 28.55 2kjp s HIS 88 CO 0.20 -2.79 1.57 -1.58 -0.00 0.00 0.00 174.74 172.14 2kjp s HIS 89 N 0.06 2.67 0.37 1.40 2.46 -1.26 -4.97 115.29 116.01 2kjp s HIS 89 Ca 0.60 0.51 -0.26 0.00 0.47 0.00 0.00 55.06 56.38 2kjp s HIS 89 Cb -0.42 -3.88 -0.09 0.00 -0.13 0.00 0.00 32.58 28.05 2kjp s HIS 89 CO 0.43 -3.42 1.09 -1.01 -2.47 0.00 0.00 174.74 169.36 2kjp s HIS 90 N 2.24 3.31 0.00 3.88 3.76 -1.26 -5.27 115.29 121.96 2kjp s HIS 90 Ca 0.71 1.64 0.00 0.00 -0.15 0.00 0.00 55.06 57.26 2kjp s HIS 90 Cb -0.39 -3.23 0.00 0.00 1.11 0.00 0.00 32.58 30.08 2kjp s HIS 90 CO 0.31 -0.75 0.00 1.58 -0.85 0.00 0.00 174.74 175.03