#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 -0.15 1.97 4.83 0.00 -1.96 -2.40 103.07 105.36 2kjp h GLY 2 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2kjp h GLY 2 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 176.54 176.78 2kjp n ILE 3 N -5.07 0.58 -3.42 2.60 -5.35 -1.26 -4.44 119.36 103.00 2kjp n ILE 3 Ca -0.08 0.14 -0.17 0.00 -0.27 0.00 0.00 62.75 62.37 2kjp n ILE 3 Cb 0.15 -0.79 -0.10 0.00 -1.74 0.00 0.00 39.64 37.16 2kjp n ILE 3 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 2kjp s TYR 4 N -2.97 -0.45 0.17 4.28 5.04 -0.92 -4.07 117.35 118.44 2kjp s TYR 4 Ca 0.11 0.04 -0.30 0.00 -2.44 0.00 0.00 57.07 54.47 2kjp s TYR 4 Cb 0.13 -0.39 -0.08 0.00 0.35 0.00 0.00 41.96 41.98 2kjp s TYR 4 CO 0.37 -0.81 1.22 0.00 -1.34 0.00 0.00 175.55 174.98 2kjp s ALA 5 N 2.37 3.45 -0.21 3.97 0.00 -1.11 -3.39 121.76 126.84 2kjp s ALA 5 Ca 0.09 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2kjp s ALA 5 Cb -0.15 -3.43 -0.20 0.00 0.00 0.00 0.00 23.12 19.34 2kjp s ALA 5 CO -0.26 -0.40 -0.01 -1.13 0.00 0.00 0.00 175.76 173.96 2kjp n SER 6 N 2.67 1.90 -3.58 0.00 3.41 -1.26 0.16 113.62 116.91 2kjp n SER 6 Ca 0.05 -0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.57 2kjp n SER 6 Cb 0.44 -0.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.88 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 -6.62 -0.28 0.04 4.04 1.04 -1.26 -4.74 113.70 105.92 2kjp s SER 7 Ca -0.29 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.32 2kjp s SER 7 Cb 0.08 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.44 2kjp s SER 7 CO 0.67 -0.30 0.14 0.68 0.98 0.00 0.00 173.24 175.40 2kjp s VAL 8 N -1.45 0.12 0.09 5.02 -7.23 -1.26 -5.02 120.40 110.68 2kjp s VAL 8 Ca 0.02 -1.02 -0.27 0.00 -1.81 0.00 0.00 61.98 58.90 2kjp s VAL 8 Cb -0.01 -0.92 -0.06 0.00 0.56 0.00 0.00 36.38 35.95 2kjp s VAL 8 CO -0.02 -0.56 0.82 0.54 -0.31 0.00 0.00 175.10 175.57 2kjp s VAL 9 N -2.64 4.58 0.00 1.32 0.11 -1.26 -5.07 120.40 117.44 2kjp s VAL 9 Ca -0.05 1.78 0.00 0.00 -2.93 0.00 0.00 61.98 60.78 2kjp s VAL 9 Cb -0.01 -4.18 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 2kjp s VAL 9 CO -0.05 0.39 0.00 1.21 -3.33 0.00 0.00 175.10 173.32 2kjp n GLU 10 N 2.52 1.11 -2.93 1.54 2.13 -1.26 -4.49 120.64 119.26 2kjp n GLU 10 Ca -0.02 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.60 2kjp n GLU 10 Cb 0.49 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.24 2kjp n GLU 10 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kjp n ASN 11 N 0.00 -5.62 -4.50 4.31 5.03 -1.26 -5.00 115.26 108.22 2kjp n ASN 11 Ca 0.00 -0.25 -0.23 0.00 0.87 0.00 0.00 54.58 54.96 2kjp n ASN 11 Cb 0.00 -4.45 -0.11 0.00 -1.02 0.00 0.00 39.78 34.20 2kjp n ASN 11 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2kjp s MET 12 N -5.56 1.72 0.00 3.52 -1.94 -1.26 -4.87 119.30 110.91 2kjp s MET 12 Ca 0.27 -1.94 0.00 0.00 -1.71 0.00 0.00 55.69 52.31 2kjp s MET 12 Cb -0.12 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.53 2kjp s MET 12 CO 0.33 -0.08 0.59 -0.35 -0.01 0.00 0.00 175.02 175.50 2kjp n PRO 13 N -0.75 0.00 0.00 2.03 -0.04 -1.26 -4.52 135.00 130.46 2kjp n PRO 13 Ca -0.04 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2kjp n PRO 13 Cb 0.66 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 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 -1.09 0.00 -1.72 0.55 0.00 -1.20 -4.29 120.51 112.77 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 0.22 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.64 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 2.98 0.00 0.00 2.20 -1.26 -1.74 119.74 121.92 2kjp s LYS 15 Ca 0.00 1.71 0.00 0.00 -0.36 0.00 0.00 55.97 57.32 2kjp s LYS 15 Cb 0.00 -4.37 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 2kjp s LYS 15 CO 0.00 -2.27 0.00 0.41 -0.36 0.00 0.00 175.35 173.13 2kjp n GLY 16 N 5.72 3.07 2.80 5.54 0.00 -1.26 -4.98 105.19 116.08 2kjp n GLY 16 Ca 0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.22 0.98 0.13 1.61 2.20 -0.71 -4.77 119.74 118.96 2kjp s LYS 17 Ca 0.00 -0.72 0.09 0.00 -0.36 0.00 0.00 55.97 54.98 2kjp s LYS 17 Cb 0.00 -2.26 -0.04 0.00 -1.51 0.00 0.00 37.83 34.03 2kjp s LYS 17 CO 0.00 -0.69 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.60 2kjp s ILE 18 N 1.66 1.79 -0.20 5.43 2.07 -1.25 -3.22 121.20 127.49 2kjp s ILE 18 Ca -0.01 -1.70 -0.04 0.00 -1.41 0.00 0.00 60.65 57.49 2kjp s ILE 18 Cb -0.18 -1.70 0.09 0.00 0.13 0.00 0.00 42.46 40.80 2kjp s ILE 18 CO -0.10 -0.15 0.19 -1.61 -1.91 0.00 0.00 174.94 171.36 2kjp s GLU 19 N -2.26 0.16 -0.36 3.50 8.01 -1.26 -4.96 118.70 121.52 2kjp s GLU 19 Ca 0.11 0.09 -0.05 0.00 0.01 0.00 0.00 54.97 55.13 2kjp s GLU 19 Cb -0.08 -1.36 0.20 0.00 -4.31 0.00 0.00 34.13 28.58 2kjp s GLU 19 CO 0.05 -0.68 1.02 0.54 0.01 0.00 0.00 175.26 176.20 2kjp s VAL 20 N 2.27 -0.33 0.00 2.63 0.11 -1.26 -4.41 120.40 119.41 2kjp s VAL 20 Ca 0.06 -0.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2kjp s VAL 20 Cb -0.16 0.00 0.00 0.00 -1.53 0.00 0.00 36.38 34.69 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 3.05 2.81 3.72 6.54 0.00 0.41 -4.93 105.19 116.80 2kjp n GLY 21 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 0.44 3.36 -4.75 1.61 8.00 -1.26 -4.56 116.55 119.38 2kjp n ASP 22 Ca 0.00 1.18 -0.40 0.00 0.71 0.00 0.00 54.79 56.28 2kjp n ASP 22 Cb 0.00 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.12 39.51 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 -1.11 4.52 -0.25 -1.24 2.20 -1.26 -4.25 119.74 118.35 2kjp s LYS 23 Ca 0.61 1.10 -0.08 0.00 -0.36 0.00 0.00 55.97 57.24 2kjp s LYS 23 Cb -0.54 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.39 2kjp s LYS 23 CO 0.55 0.31 0.09 0.96 -0.36 0.00 0.00 175.35 176.90 2kjp s ILE 24 N -0.16 4.50 0.06 5.43 -0.00 -1.26 -3.85 121.20 125.93 2kjp s ILE 24 Ca 0.39 -0.11 -0.19 0.00 -0.00 0.00 0.00 60.65 60.74 2kjp s ILE 24 Cb -0.21 -3.11 -0.11 0.00 -0.00 0.00 0.00 42.46 39.03 2kjp s ILE 24 CO 0.24 0.33 1.41 0.40 -0.00 0.00 0.00 174.94 177.32 2kjp h ILE 25 N 5.48 1.31 -2.10 8.37 1.08 -1.94 -3.48 117.51 126.23 2kjp h ILE 25 Ca -0.38 -1.22 0.18 0.00 -0.39 0.00 0.00 64.86 63.05 2kjp h ILE 25 Cb 1.18 1.67 -0.13 0.00 -3.07 0.00 0.00 36.82 36.47 2kjp h ILE 25 CO 0.58 0.37 0.57 -0.94 -0.69 0.00 0.00 178.15 178.04 2kjp s SER 26 N -6.15 -0.24 -0.07 1.72 1.04 -1.26 -4.86 113.70 103.88 2kjp s SER 26 Ca -0.14 -0.15 0.03 0.00 0.48 0.00 0.00 55.95 56.17 2kjp s SER 26 Cb 0.07 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.55 2kjp s SER 26 CO 0.77 -0.63 -0.17 0.00 0.98 0.00 0.00 173.24 174.18 2kjp s ALA 27 N -3.01 1.61 -1.43 5.32 0.00 -0.79 -2.61 121.76 120.86 2kjp s ALA 27 Ca 0.09 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.33 2kjp s ALA 27 Cb -0.00 -0.63 0.03 0.00 0.00 0.00 0.00 23.12 22.52 2kjp s ALA 27 CO -0.04 0.21 0.53 -3.47 0.00 0.00 0.00 175.76 172.99 2kjp n ASP 28 N 3.56 -5.02 0.00 0.00 2.03 0.30 -0.28 116.55 117.14 2kjp n ASP 28 Ca -0.21 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.80 2kjp n ASP 28 Cb 0.52 -4.09 0.00 0.00 -0.72 0.00 0.00 41.12 36.83 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 -1.34 0.42 3.75 0.27 0.00 -1.26 -4.87 105.19 102.16 2kjp n GLY 29 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.58 3.95 0.54 1.61 -0.14 0.61 -5.09 119.74 120.64 2kjp s LYS 30 Ca 0.00 -0.22 -0.03 0.00 -1.36 0.00 0.00 55.97 54.36 2kjp s LYS 30 Cb 0.00 -3.32 0.01 0.00 -1.68 0.00 0.00 37.83 32.84 2kjp s LYS 30 CO 0.00 0.42 0.81 0.54 -0.76 0.00 0.00 175.35 176.36 2kjp s ASN 31 N 0.00 5.66 -0.28 2.83 2.20 -1.26 -1.88 114.94 122.21 2kjp s ASN 31 Ca 0.09 0.53 0.01 0.00 -0.94 0.00 0.00 52.86 52.55 2kjp s ASN 31 Cb -0.11 -1.60 0.16 0.00 -2.00 0.00 0.00 41.25 37.69 2kjp s ASN 31 CO -0.00 -0.94 0.45 -0.31 -2.94 0.00 0.00 177.10 173.36 2kjp s TYR 32 N -2.83 -1.15 0.16 1.54 2.02 -1.26 -4.98 117.35 110.86 2kjp s TYR 32 Ca 0.52 0.74 -0.12 0.00 -0.37 0.00 0.00 57.07 57.84 2kjp s TYR 32 Cb -0.10 0.05 0.06 0.00 -0.40 0.00 0.00 41.96 41.56 2kjp s TYR 32 CO 0.42 -0.91 1.69 0.37 -1.57 0.00 0.00 175.55 175.55 2kjp h GLN 33 N 8.12 0.87 -5.62 -0.62 4.15 -2.00 -3.40 115.11 116.61 2kjp h GLN 33 Ca -0.12 -0.19 -0.60 0.00 0.77 0.00 0.00 58.65 58.51 2kjp h GLN 33 Cb 1.14 -0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.60 2kjp h GLN 33 CO 0.25 0.79 0.29 -1.54 -1.93 0.00 0.00 178.83 176.69 2kjp s SER 34 N -6.16 6.67 0.28 -0.69 1.04 -1.26 -4.95 113.70 108.64 2kjp s SER 34 Ca -0.13 0.81 -0.03 0.00 0.48 0.00 0.00 55.95 57.09 2kjp s SER 34 Cb 0.12 -2.38 0.39 0.00 0.10 0.00 0.00 66.02 64.26 2kjp s SER 34 CO 0.80 -0.44 1.93 0.00 0.98 0.00 0.00 173.24 176.51 2kjp h ALA 35 N 7.84 1.34 -0.73 5.32 0.00 -1.97 -2.29 119.26 128.77 2kjp h ALA 35 Ca -0.25 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.61 2kjp h ALA 35 Cb 1.11 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 2kjp h ALA 35 CO 0.82 0.57 0.48 1.05 0.00 0.00 0.00 179.25 182.17 2kjp h GLU 36 N 1.11 0.84 -0.54 0.00 4.11 -1.96 -1.95 114.58 116.20 2kjp h GLU 36 Ca 0.29 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.56 2kjp h GLU 36 Cb -0.05 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 2kjp h GLU 36 CO -0.06 0.55 -0.09 0.87 0.07 0.00 0.00 179.01 180.36 2kjp h LYS 37 N 0.86 1.00 -0.17 1.06 6.56 -1.82 -2.38 116.57 121.67 2kjp h LYS 37 Ca 0.30 -0.35 0.02 0.00 -1.06 0.00 0.00 60.65 59.56 2kjp h LYS 37 Cb 0.09 -0.07 -0.02 0.00 -0.57 0.00 0.00 32.23 31.66 2kjp h LYS 37 CO -0.09 1.03 0.04 1.25 -2.06 0.00 0.00 179.45 179.62 2kjp h LEU 38 N 0.89 0.03 -0.30 2.94 5.85 -1.24 0.81 115.31 124.29 2kjp h LEU 38 Ca 0.14 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 2kjp h LEU 38 Cb 0.64 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2kjp h LEU 38 CO 0.04 0.04 0.11 0.40 -0.34 0.00 0.00 178.44 178.69 2kjp h ILE 39 N 0.11 1.19 -0.78 4.05 2.04 -1.51 -1.67 117.51 120.94 2kjp h ILE 39 Ca 0.08 -0.59 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2kjp h ILE 39 Cb 0.06 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2kjp h ILE 39 CO -0.09 0.20 0.28 -0.78 0.00 0.00 0.00 178.15 177.75 2kjp h ASP 40 N 0.33 1.10 0.44 1.72 3.58 -1.11 0.26 116.42 122.74 2kjp h ASP 40 Ca 0.10 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 2kjp h ASP 40 Cb 0.21 -0.29 0.00 0.00 1.72 0.00 0.00 39.33 40.97 2kjp h ASP 40 CO -0.01 1.00 -0.21 0.22 -2.88 0.00 0.00 179.24 177.36 2kjp h TYR 41 N 1.15 -0.55 -0.17 0.28 3.20 0.90 -0.78 116.97 121.00 2kjp h TYR 41 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 2kjp h TYR 41 Cb 0.26 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 2kjp h TYR 41 CO 0.02 -0.31 -0.06 0.82 -1.64 0.00 0.00 178.16 177.00 2kjp h ILE 42 N -0.66 1.30 -0.34 1.81 2.04 -1.26 -3.00 117.51 117.40 2kjp h ILE 42 Ca -0.06 -1.06 0.10 0.00 1.00 0.00 0.00 64.86 64.84 2kjp h ILE 42 Cb 0.49 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2kjp h ILE 42 CO 0.10 0.31 0.26 -1.28 0.00 0.00 0.00 178.15 177.54 2kjp h SER 43 N 0.03 0.00 0.26 1.72 0.87 -0.47 0.38 113.55 116.33 2kjp h SER 43 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2kjp h SER 43 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2kjp h SER 43 CO 0.02 0.00 0.00 -1.20 -0.53 0.00 0.00 176.83 175.12 2kjp n SER 44 N -4.32 0.00 -2.70 6.23 7.64 -0.30 -3.83 113.62 116.34 2kjp n SER 44 Ca 0.05 -0.48 -0.06 0.00 1.01 0.00 0.00 58.87 59.39 2kjp n SER 44 Cb 0.43 -0.15 0.07 0.00 -1.01 0.00 0.00 64.21 63.55 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 -1.15 1.28 -3.66 1.43 5.02 0.13 -5.08 118.16 116.14 2kjp n LYS 45 Ca 0.17 -2.70 -0.25 0.00 -2.02 0.00 0.00 58.31 53.50 2kjp n LYS 45 Cb 0.16 -0.81 -0.02 0.00 -0.02 0.00 0.00 35.03 34.33 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 -2.02 3.50 -0.09 1.97 1.02 -1.02 -4.43 119.74 118.66 2kjp s LYS 46 Ca 0.24 -0.42 -0.04 0.00 0.02 0.00 0.00 55.97 55.77 2kjp s LYS 46 Cb 0.42 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.95 2kjp s LYS 46 CO -0.03 0.33 0.08 0.00 -0.92 0.00 0.00 175.35 174.82 2kjp n ALA 47 N -1.13 -3.29 0.00 5.17 0.00 -1.26 -4.68 120.51 115.32 2kjp n ALA 47 Ca -0.06 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.24 2kjp n ALA 47 Cb 0.55 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.32 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 0.63 2.96 3.77 0.00 0.00 -1.26 -5.02 105.19 106.27 2kjp n GLY 48 Ca -0.14 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 6.76 0.12 1.61 1.01 -1.26 -4.85 116.67 120.05 2kjp s ASP 49 Ca 0.00 2.34 0.04 0.00 0.71 0.00 0.00 52.55 55.64 2kjp s ASP 49 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 2kjp s ASP 49 CO 0.00 -0.51 0.07 -0.54 0.21 0.00 0.00 175.17 174.40 2kjp s LYS 50 N -2.05 2.77 0.04 8.23 1.02 -1.26 -3.56 119.74 124.92 2kjp s LYS 50 Ca 0.53 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 55.57 2kjp s LYS 50 Cb -0.31 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.39 2kjp s LYS 50 CO 0.40 0.53 0.30 0.14 -0.92 0.00 0.00 175.35 175.79 2kjp s VAL 51 N -1.51 0.08 -0.34 3.17 -7.23 -1.26 -5.04 120.40 108.28 2kjp s VAL 51 Ca 0.29 -0.66 -0.15 0.00 -1.81 0.00 0.00 61.98 59.65 2kjp s VAL 51 Cb -0.11 -0.91 -0.02 0.00 0.56 0.00 0.00 36.38 35.91 2kjp s VAL 51 CO 0.21 -0.37 0.33 0.42 -0.31 0.00 0.00 175.10 175.39 2kjp s THR 52 N -2.43 5.20 -0.21 5.32 -4.23 -1.26 -4.67 115.64 113.35 2kjp s THR 52 Ca -0.06 0.03 -0.04 0.00 -1.18 0.00 0.00 61.69 60.43 2kjp s THR 52 Cb -0.01 -3.78 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 2kjp s THR 52 CO -0.03 -0.05 -0.02 -0.22 -0.54 0.00 0.00 174.62 173.76 2kjp s LEU 53 N 1.95 3.05 -0.11 4.79 2.96 -1.26 0.11 118.68 130.16 2kjp s LEU 53 Ca 0.11 -0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 53.52 2kjp s LEU 53 Cb -0.17 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2kjp s LEU 53 CO 0.11 0.01 0.50 -0.54 -1.32 0.00 0.00 176.35 175.12 2kjp s LYS 54 N 1.29 4.35 0.14 1.98 3.01 -1.07 -4.77 119.74 124.67 2kjp s LYS 54 Ca 0.04 0.49 0.05 0.00 -1.01 0.00 0.00 55.97 55.54 2kjp s LYS 54 Cb -0.14 -3.44 -0.04 0.00 -1.01 0.00 0.00 37.83 33.19 2kjp s LYS 54 CO -0.01 0.14 -0.11 0.42 0.51 0.00 0.00 175.35 176.31 2kjp s ILE 55 N 0.65 1.23 -0.03 2.17 -1.09 -1.26 -3.17 121.20 119.71 2kjp s ILE 55 Ca 0.27 -1.98 0.02 0.00 -2.23 0.00 0.00 60.65 56.73 2kjp s ILE 55 Cb -0.15 -1.77 0.01 0.00 -1.58 0.00 0.00 42.46 38.96 2kjp s ILE 55 CO 0.11 -0.66 -0.09 -1.83 -1.23 0.00 0.00 174.94 171.24 2kjp s GLU 56 N -3.47 1.05 -0.06 2.79 -1.05 -1.25 -3.50 118.70 113.20 2kjp s GLU 56 Ca 0.15 -0.30 -0.03 0.00 -0.15 0.00 0.00 54.97 54.64 2kjp s GLU 56 Cb 0.00 -0.96 0.03 0.00 -0.44 0.00 0.00 34.13 32.77 2kjp s GLU 56 CO 0.02 0.08 0.13 1.03 0.95 0.00 0.00 175.26 177.47 2kjp s ARG 57 N 0.34 0.09 -1.58 -4.83 0.52 0.11 -4.67 118.95 108.93 2kjp s ARG 57 Ca -0.06 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.37 2kjp s ARG 57 Cb -0.10 -0.15 0.10 0.00 0.52 0.00 0.00 34.95 35.31 2kjp s ARG 57 CO 0.01 -0.14 0.69 -1.91 0.02 0.00 0.00 175.30 173.96 2kjp n GLU 58 N 4.03 -3.53 -0.78 3.54 2.13 -1.26 0.72 120.64 125.49 2kjp n GLU 58 Ca -0.25 0.41 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2kjp n GLU 58 Cb 0.53 -4.96 0.00 0.00 0.27 0.00 0.00 31.44 27.28 2kjp n GLU 58 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2kjp n GLU 59 N -4.43 -0.13 -3.92 5.31 0.28 -1.26 -4.98 120.64 111.51 2kjp n GLU 59 Ca -0.06 0.03 -0.21 0.00 -0.16 0.00 0.00 57.16 56.76 2kjp n GLU 59 Cb 0.56 -3.56 -0.03 0.00 1.43 0.00 0.00 31.44 29.84 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 -0.56 2.94 -0.00 3.44 1.02 0.22 -5.13 119.74 121.67 2kjp s LYS 60 Ca 0.00 -1.10 0.04 0.00 0.02 0.00 0.00 55.97 54.93 2kjp s LYS 60 Cb 0.00 -2.60 -0.01 0.00 -0.52 0.00 0.00 37.83 34.70 2kjp s LYS 60 CO 0.00 0.26 -0.13 -1.21 -0.92 0.00 0.00 175.35 173.35 2kjp s GLU 61 N -3.95 1.05 0.05 1.68 2.02 -1.26 0.06 118.70 118.35 2kjp s GLU 61 Ca 0.37 -0.51 0.04 0.00 0.02 0.00 0.00 54.97 54.89 2kjp s GLU 61 Cb -0.07 -1.02 -0.02 0.00 0.10 0.00 0.00 34.13 33.11 2kjp s GLU 61 CO 0.27 0.28 -0.13 0.15 0.02 0.00 0.00 175.26 175.84 2kjp s LYS 62 N -0.43 0.81 -0.03 1.61 -0.14 -1.23 -5.02 119.74 115.32 2kjp s LYS 62 Ca 0.05 -0.81 0.03 0.00 -1.36 0.00 0.00 55.97 53.88 2kjp s LYS 62 Cb -0.05 -0.79 0.00 0.00 -1.68 0.00 0.00 37.83 35.31 2kjp s LYS 62 CO -0.00 0.18 -0.11 -0.98 -0.76 0.00 0.00 175.35 173.69 2kjp s ARG 63 N -1.37 1.14 -0.04 1.68 1.70 -1.26 -4.16 118.95 116.64 2kjp s ARG 63 Ca -0.01 -0.36 -0.21 0.00 -0.47 0.00 0.00 55.73 54.67 2kjp s ARG 63 Cb -0.09 -1.04 0.04 0.00 -0.57 0.00 0.00 34.95 33.29 2kjp s ARG 63 CO 0.01 0.13 0.47 0.54 -1.08 0.00 0.00 175.30 175.37 2kjp s VAL 64 N 0.19 0.03 -0.31 4.99 0.11 -1.26 -5.14 120.40 119.01 2kjp s VAL 64 Ca -0.04 -0.26 -0.13 0.00 -2.93 0.00 0.00 61.98 58.63 2kjp s VAL 64 Cb -0.09 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2kjp s VAL 64 CO 0.01 -0.14 0.25 0.28 -3.33 0.00 0.00 175.10 172.17 2kjp s THR 65 N -1.17 5.27 0.14 5.04 -1.32 -1.26 -4.72 115.64 117.61 2kjp s THR 65 Ca -0.12 0.04 0.01 0.00 -1.21 0.00 0.00 61.69 60.41 2kjp s THR 65 Cb -0.03 -3.66 -0.04 0.00 -1.51 0.00 0.00 72.50 67.25 2kjp s THR 65 CO 0.06 0.09 -0.01 -0.76 -2.21 0.00 0.00 174.62 171.79 2kjp s LEU 66 N 1.82 2.18 -0.12 9.08 1.43 -1.26 -5.15 118.68 126.65 2kjp s LEU 66 Ca 0.08 -1.13 -0.07 0.00 -1.03 0.00 0.00 54.13 51.99 2kjp s LEU 66 Cb -0.17 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.04 2kjp s LEU 66 CO 0.11 -0.58 0.12 0.28 0.23 0.00 0.00 176.35 176.52 2kjp s THR 67 N -3.74 5.36 1.03 5.49 -1.32 -1.26 -4.34 115.64 116.86 2kjp s THR 67 Ca 0.20 0.16 -0.12 0.00 -1.21 0.00 0.00 61.69 60.71 2kjp s THR 67 Cb 0.06 -3.34 0.21 0.00 -1.51 0.00 0.00 72.50 67.92 2kjp s THR 67 CO 0.00 0.61 1.07 -0.76 -2.21 0.00 0.00 174.62 173.33 2kjp s LEU 68 N -0.91 1.65 0.29 9.08 1.43 -1.23 -4.85 118.68 124.14 2kjp s LEU 68 Ca 0.14 1.56 0.03 0.00 -1.03 0.00 0.00 54.13 54.83 2kjp s LEU 68 Cb -0.12 -3.72 -0.04 0.00 0.03 0.00 0.00 46.19 42.34 2kjp s LEU 68 CO 0.03 -3.44 0.17 -0.75 0.23 0.00 0.00 176.35 172.59 2kjp s LYS 69 N -4.70 1.57 0.05 1.70 2.47 -1.26 -4.05 119.74 115.51 2kjp s LYS 69 Ca 0.66 -1.89 0.04 0.00 -1.56 0.00 0.00 55.97 53.22 2kjp s LYS 69 Cb -0.22 0.00 -0.02 0.00 -1.46 0.00 0.00 37.83 36.13 2kjp s LYS 69 CO 0.60 -0.47 -0.12 1.14 0.16 0.00 0.00 175.35 176.66 2kjp s GLN 70 N -3.81 0.76 -0.72 4.03 -2.07 -1.26 -4.02 119.66 112.57 2kjp s GLN 70 Ca 0.37 -0.80 -0.38 0.00 -1.82 0.00 0.00 55.36 52.73 2kjp s GLN 70 Cb 0.05 -0.71 -0.20 0.00 -1.09 0.00 0.00 33.01 31.06 2kjp s GLN 70 CO 0.18 0.16 2.39 1.19 -1.32 0.00 0.00 175.29 177.89 2kjp n PHE 71 N 1.63 0.91 0.12 9.60 3.72 -1.26 -4.74 117.46 127.43 2kjp n PHE 71 Ca -0.20 0.59 0.06 0.00 -0.05 0.00 0.00 57.45 57.85 2kjp n PHE 71 Cb 0.55 -2.33 0.31 0.00 -0.94 0.00 0.00 39.48 37.06 2kjp n PHE 71 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2kjp n PRO 72 N 7.95 0.08 -0.51 -1.08 -0.02 -1.26 0.19 135.00 140.35 2kjp n PRO 72 Ca 0.59 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.69 2kjp n PRO 72 Cb -0.00 -1.93 0.31 0.00 -0.02 0.00 0.00 33.50 31.86 2kjp n PRO 72 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kjp n ASP 73 N -1.90 4.31 -2.72 2.55 8.00 -1.26 -4.64 116.55 120.89 2kjp n ASP 73 Ca -0.01 -2.43 -0.07 0.00 0.71 0.00 0.00 54.79 52.99 2kjp n ASP 73 Cb 0.20 -0.51 0.07 0.00 -0.02 0.00 0.00 41.12 40.86 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 0.83 0.63 0.21 -1.24 4.07 0.13 -5.01 120.64 120.27 2kjp n GLU 74 Ca 0.23 -1.46 0.15 0.00 -0.06 0.00 0.00 57.16 56.02 2kjp n GLU 74 Cb 0.80 -1.03 0.69 0.00 -0.06 0.00 0.00 31.44 31.84 2kjp n GLU 74 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2kjp h PRO 75 N 3.53 0.00 0.00 5.31 0.13 -1.82 -1.90 132.00 137.25 2kjp h PRO 75 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 2kjp h PRO 75 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2kjp h PRO 75 CO 0.16 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.68 2kjp n ASP 76 N -2.63 0.27 -4.15 1.44 8.00 -1.26 -4.77 116.55 113.45 2kjp n ASP 76 Ca 0.00 0.56 -0.10 0.00 0.71 0.00 0.00 54.79 55.96 2kjp n ASP 76 Cb 0.18 -0.62 -0.10 0.00 -0.02 0.00 0.00 41.12 40.57 2kjp n ASP 76 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2kjp s ARG 77 N -3.11 0.81 -0.03 -1.24 0.52 -0.72 -5.17 118.95 110.02 2kjp s ARG 77 Ca 0.07 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.95 2kjp s ARG 77 Cb 0.11 0.01 0.02 0.00 0.52 0.00 0.00 34.95 35.60 2kjp s ARG 77 CO 0.36 -0.11 -0.03 0.00 0.02 0.00 0.00 175.30 175.54 2kjp s ALA 78 N -3.80 0.46 0.00 2.13 0.00 -1.26 -4.44 121.76 114.85 2kjp s ALA 78 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 51.96 52.10 2kjp s ALA 78 Cb 0.07 -0.30 0.00 0.00 0.00 0.00 0.00 23.12 22.89 2kjp s ALA 78 CO -0.04 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.12 2kjp n GLY 79 N 3.80 0.74 3.01 0.00 0.00 -1.26 -4.87 105.19 106.60 2kjp n GLY 79 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.11 0.96 -0.31 -0.61 1.01 -1.26 -5.01 121.20 113.88 2kjp s ILE 80 Ca 0.00 -0.41 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 2kjp s ILE 80 Cb 0.00 -0.88 0.29 0.00 0.01 0.00 0.00 42.46 41.88 2kjp s ILE 80 CO 0.00 0.31 1.31 0.61 0.00 0.00 0.00 174.94 177.17 2kjp n GLY 81 N 3.63 -1.95 0.49 6.18 0.00 -1.26 -4.77 105.19 107.51 2kjp n GLY 81 Ca -0.22 1.09 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 1.32 0.00 -0.67 1.61 0.24 -1.26 -4.49 118.33 115.08 2kjp n VAL 82 Ca -0.01 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.17 2kjp n VAL 82 Cb 0.73 -0.42 -0.08 0.00 -1.47 0.00 0.00 33.84 32.60 2kjp n VAL 82 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 2kjp n SER 83 N 0.07 3.83 -4.77 -1.34 3.41 -1.26 -4.90 113.62 108.66 2kjp n SER 83 Ca 0.00 -2.17 -0.34 0.00 -0.26 0.00 0.00 58.87 56.10 2kjp n SER 83 Cb 0.21 -0.95 0.03 0.00 -0.26 0.00 0.00 64.21 63.23 2kjp n SER 83 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kjp s LEU 84 N 0.03 3.56 -1.08 1.04 1.43 -1.26 -3.91 118.68 118.48 2kjp s LEU 84 Ca 0.42 2.11 -0.13 0.00 -1.03 0.00 0.00 54.13 55.50 2kjp s LEU 84 Cb 0.17 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.79 2kjp s LEU 84 CO -0.01 -1.47 0.86 -0.62 0.23 0.00 0.00 176.35 175.34 2kjp n GLU 85 N -1.90 -1.76 0.22 1.70 1.02 -1.26 -4.87 120.64 113.80 2kjp n GLU 85 Ca 0.11 0.69 0.16 0.00 -0.02 0.00 0.00 57.16 58.09 2kjp n GLU 85 Cb 0.51 -5.04 0.67 0.00 -0.02 0.00 0.00 31.44 27.57 2kjp n GLU 85 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kjp h HIS 86 N -1.43 0.00 -2.64 -0.32 2.07 -2.00 -3.43 115.15 107.40 2kjp h HIS 86 Ca -0.63 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.36 2kjp h HIS 86 Cb 1.33 0.00 0.03 0.00 2.57 0.00 0.00 27.41 31.34 2kjp h HIS 86 CO 0.31 0.00 1.03 -1.01 -3.07 0.00 0.00 177.93 175.20 2kjp s HIS 87 N -3.59 2.36 0.00 6.12 3.76 -1.26 -4.61 115.29 118.08 2kjp s HIS 87 Ca 0.01 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 2kjp s HIS 87 Cb 0.09 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.74 2kjp s HIS 87 CO 0.45 -4.22 0.00 1.58 -0.85 0.00 0.00 174.74 171.70 2kjp n HIS 88 N 5.52 0.00 0.33 1.40 -0.00 -1.26 -4.93 115.22 116.28 2kjp n HIS 88 Ca 0.16 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.50 2kjp n HIS 88 Cb 0.39 0.00 0.59 0.00 -0.12 0.00 0.00 29.99 30.85 2kjp n HIS 88 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kjp h HIS 89 N 0.00 0.00 0.00 1.57 3.86 -2.00 -3.45 115.15 115.13 2kjp h HIS 89 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2kjp h HIS 89 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 2kjp h HIS 89 CO 0.00 0.00 0.00 0.72 0.86 0.00 0.00 177.93 179.51 2kjp n HIS 90 N -2.78 0.00 0.25 2.45 -0.00 -1.26 -5.34 115.22 108.54 2kjp n HIS 90 Ca 0.01 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.75 2kjp n HIS 90 Cb 0.30 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.41 2kjp n HIS 90 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06