#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kj9 s SER 2 N 0.00 6.99 0.02 4.39 0.01 -1.26 -5.02 113.70 118.83 2kj9 s SER 2 Ca 0.00 1.80 0.09 0.00 1.31 0.00 0.00 55.95 59.15 2kj9 s SER 2 Cb 0.00 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.65 2kj9 s SER 2 CO 0.00 -0.67 -0.26 0.68 0.41 0.00 0.00 173.24 173.40 2kj9 s VAL 3 N 2.75 2.11 -0.13 3.43 -7.23 -1.26 -5.12 120.40 114.94 2kj9 s VAL 3 Ca 0.56 -1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 59.41 2kj9 s VAL 3 Cb -0.24 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.88 2kj9 s VAL 3 CO 0.20 0.44 -0.01 -1.10 -0.31 0.00 0.00 175.10 174.32 2kj9 s GLN 4 N -1.02 3.48 0.00 4.82 -0.21 -1.26 -4.98 119.66 120.49 2kj9 s GLN 4 Ca 0.11 -0.45 0.00 0.00 0.02 0.00 0.00 55.36 55.04 2kj9 s GLN 4 Cb -0.10 -2.92 0.00 0.00 1.00 0.00 0.00 33.01 30.99 2kj9 s GLN 4 CO 0.01 0.41 0.56 0.39 -2.12 0.00 0.00 175.29 174.54 2kj9 n GLU 5 N 3.04 0.87 0.00 2.91 4.71 -1.26 -3.09 120.64 127.83 2kj9 n GLU 5 Ca -0.18 0.00 0.12 0.00 -0.01 0.00 0.00 57.16 57.10 2kj9 n GLU 5 Cb 0.53 -1.33 0.32 0.00 -1.01 0.00 0.00 31.44 29.95 2kj9 n GLU 5 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 2kj9 n LYS 6 N 0.21 0.44 0.07 3.49 5.02 -1.26 -4.41 118.16 121.71 2kj9 n LYS 6 Ca 0.00 -0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.00 2kj9 n LYS 6 Cb 0.28 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.78 2kj9 n LYS 6 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2kj9 h ARG 7 N 0.62 -0.22 -6.82 1.97 2.43 -1.99 -3.46 114.38 106.92 2kj9 h ARG 7 Ca 0.00 0.01 -0.49 0.00 -0.81 0.00 0.00 59.98 58.69 2kj9 h ARG 7 Cb 0.50 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 2kj9 h ARG 7 CO 0.00 -0.14 0.13 0.54 -1.51 0.00 0.00 179.97 178.98 2kj9 s ASN 8 N -4.21 6.63 -0.56 -3.80 4.22 -1.26 -5.03 114.94 110.93 2kj9 s ASN 8 Ca -0.03 1.22 -0.09 0.00 -2.14 0.00 0.00 52.86 51.82 2kj9 s ASN 8 Cb 0.00 -2.36 0.14 0.00 1.28 0.00 0.00 41.25 40.32 2kj9 s ASN 8 CO 0.10 -0.33 0.43 0.20 -2.04 0.00 0.00 177.10 175.46 2kj9 s ASN 9 N -2.78 5.80 0.19 3.54 0.02 -1.26 -5.02 114.94 115.43 2kj9 s ASN 9 Ca 0.53 -2.20 -0.27 0.00 -1.02 0.00 0.00 52.86 49.91 2kj9 s ASN 9 Cb -0.10 -2.02 -0.08 0.00 0.02 0.00 0.00 41.25 39.06 2kj9 s ASN 9 CO 0.25 -0.62 0.83 -0.89 0.02 0.00 0.00 177.10 176.69 2kj9 s THR 10 N 0.93 4.28 -0.41 1.60 2.01 -1.26 -4.95 115.64 117.83 2kj9 s THR 10 Ca 0.09 1.81 0.03 0.00 0.31 0.00 0.00 61.69 63.94 2kj9 s THR 10 Cb -0.23 -4.18 0.28 0.00 0.01 0.00 0.00 72.50 68.38 2kj9 s THR 10 CO -0.02 0.50 1.18 0.54 -0.69 0.00 0.00 174.62 176.13 2kj9 n ARG 11 N 1.51 1.94 -2.17 4.92 1.74 -1.26 -4.45 116.66 118.88 2kj9 n ARG 11 Ca -0.04 -1.18 -0.39 0.00 -0.77 0.00 0.00 57.85 55.47 2kj9 n ARG 11 Cb 0.48 -1.61 -0.01 0.00 -1.02 0.00 0.00 32.46 30.30 2kj9 n ARG 11 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kj9 s ALA 12 N -1.45 3.24 0.42 7.54 0.00 -1.26 -4.22 121.76 126.03 2kj9 s ALA 12 Ca 0.21 1.11 0.20 0.00 0.00 0.00 0.00 51.96 53.49 2kj9 s ALA 12 Cb 0.17 -3.44 1.15 0.00 0.00 0.00 0.00 23.12 21.00 2kj9 s ALA 12 CO 0.05 -0.66 1.80 0.35 0.00 0.00 0.00 175.76 177.30 2kj9 h PHE 13 N 2.77 0.54 0.92 0.00 3.57 -1.78 -1.32 116.94 121.65 2kj9 h PHE 13 Ca -0.49 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 60.98 2kj9 h PHE 13 Cb 1.24 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 39.83 2kj9 h PHE 13 CO 0.54 0.08 -0.44 0.87 -2.23 0.00 0.00 178.31 177.13 2kj9 h LYS 14 N 0.35 -1.19 -0.76 1.11 1.57 -1.87 0.43 116.57 116.21 2kj9 h LYS 14 Ca 0.55 0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 59.39 2kj9 h LYS 14 Cb 1.47 0.27 -0.04 0.00 0.08 0.00 0.00 32.23 34.01 2kj9 h LYS 14 CO -0.22 -0.80 0.41 1.15 -0.57 0.00 0.00 179.45 179.42 2kj9 h THR 15 N -1.29 1.23 -0.26 -0.16 2.02 -1.65 -2.40 112.91 110.40 2kj9 h THR 15 Ca -0.13 -0.58 -0.18 0.00 0.77 0.00 0.00 66.41 66.29 2kj9 h THR 15 Cb 0.95 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 2kj9 h THR 15 CO 0.21 0.26 -0.55 0.58 0.37 0.00 0.00 175.52 176.38 2kj9 h VAL 16 N 1.05 1.29 -0.31 3.16 2.07 -1.29 -2.32 116.25 119.90 2kj9 h VAL 16 Ca 0.27 -1.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.03 2kj9 h VAL 16 Cb 0.04 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 2kj9 h VAL 16 CO -0.04 0.57 0.18 0.00 0.02 0.00 0.00 177.57 178.30 2kj9 h ALA 17 N 0.77 1.74 -0.19 1.67 0.00 -0.69 0.16 119.26 122.72 2kj9 h ALA 17 Ca 0.01 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 2kj9 h ALA 17 Cb 1.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2kj9 h ALA 17 CO 0.12 0.23 -0.53 -0.22 0.00 0.00 0.00 179.25 178.85 2kj9 h LYS 18 N 0.42 0.56 -0.52 0.00 3.64 -1.10 0.16 116.57 119.72 2kj9 h LYS 18 Ca 0.11 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.08 2kj9 h LYS 18 Cb -0.01 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2kj9 h LYS 18 CO -0.02 0.94 0.05 1.03 -2.27 0.00 0.00 179.45 179.18 2kj9 h SER 19 N 0.43 0.86 -0.38 4.20 0.87 -0.73 -0.42 113.55 118.39 2kj9 h SER 19 Ca 0.01 -0.28 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 2kj9 h SER 19 Cb 1.06 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2kj9 h SER 19 CO 0.10 0.93 0.23 -0.25 -0.53 0.00 0.00 176.83 177.31 2kj9 h TRP 20 N 0.77 0.43 -0.71 2.24 7.01 -0.48 0.10 115.95 125.31 2kj9 h TRP 20 Ca 0.15 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.16 2kj9 h TRP 20 Cb 0.46 -0.14 -0.03 0.00 -2.10 0.00 0.00 29.16 27.34 2kj9 h TRP 20 CO 0.03 0.26 0.43 0.35 -2.79 0.00 0.00 178.44 176.72 2kj9 h PHE 21 N 0.47 0.92 0.06 2.65 3.57 -0.43 0.21 116.94 124.38 2kj9 h PHE 21 Ca 0.15 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.42 2kj9 h PHE 21 Cb -0.01 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 38.42 2kj9 h PHE 21 CO -0.07 0.61 -1.06 0.00 -2.23 0.00 0.00 178.31 175.56 2kj9 h ALA 22 N 1.51 0.29 0.15 2.41 0.00 -0.66 -3.32 119.26 119.64 2kj9 h ALA 22 Ca 0.25 -0.82 -0.29 0.00 0.00 0.00 0.00 54.91 54.05 2kj9 h ALA 22 Cb -0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.70 2kj9 h ALA 22 CO -0.05 0.99 -1.32 1.15 0.00 0.00 0.00 179.25 180.01 2kj9 h THR 23 N 0.09 1.42 -3.45 0.00 2.02 -0.47 -3.43 112.91 109.09 2kj9 h THR 23 Ca -0.08 -2.97 -0.60 0.00 0.77 0.00 0.00 66.41 63.53 2kj9 h THR 23 Cb 1.76 2.94 -0.10 0.00 -1.74 0.00 0.00 68.15 71.01 2kj9 h THR 23 CO 0.17 0.87 0.44 -0.75 0.37 0.00 0.00 175.52 176.61 2kj9 s LYS 24 N -2.64 3.91 -0.11 6.66 2.20 0.70 -4.88 119.74 125.58 2kj9 s LYS 24 Ca -0.05 0.55 0.17 0.00 -0.36 0.00 0.00 55.97 56.28 2kj9 s LYS 24 Cb 0.06 -3.75 0.40 0.00 -1.51 0.00 0.00 37.83 33.03 2kj9 s LYS 24 CO 0.89 -0.75 1.19 0.25 -0.36 0.00 0.00 175.35 176.56 2kj9 n THR 25 N 5.65 1.17 1.78 3.43 -2.24 -1.26 -4.75 114.28 118.06 2kj9 n THR 25 Ca 0.04 -2.12 0.14 0.00 -2.27 0.00 0.00 64.05 59.85 2kj9 n THR 25 Cb 0.48 0.31 0.74 0.00 -2.10 0.00 0.00 70.33 69.76 2kj9 n THR 25 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2kj9 n THR 26 N -0.41 0.01 -4.42 4.28 -2.24 -1.26 -4.80 114.28 105.45 2kj9 n THR 26 Ca 0.13 -0.11 -0.24 0.00 -2.27 0.00 0.00 64.05 61.56 2kj9 n THR 26 Cb 0.88 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.95 2kj9 n THR 26 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 2kj9 s TRP 27 N -1.99 2.42 0.42 4.78 0.51 -1.26 -5.12 118.94 118.70 2kj9 s TRP 27 Ca 0.42 -0.30 -0.25 0.00 -2.12 0.00 0.00 56.10 53.85 2kj9 s TRP 27 Cb 0.21 -1.07 -0.08 0.00 -0.81 0.00 0.00 33.47 31.72 2kj9 s TRP 27 CO 0.34 0.68 1.23 -1.54 -0.51 0.00 0.00 176.95 177.15 2kj9 s SER 28 N -3.57 6.32 0.41 2.95 1.04 -1.26 -4.84 113.70 114.76 2kj9 s SER 28 Ca 0.31 2.47 0.11 0.00 0.48 0.00 0.00 55.95 59.31 2kj9 s SER 28 Cb -0.05 -2.62 0.88 0.00 0.10 0.00 0.00 66.02 64.32 2kj9 s SER 28 CO 0.17 -0.82 1.97 -0.08 0.98 0.00 0.00 173.24 175.45 2kj9 h GLU 29 N 2.50 0.21 -0.30 4.02 4.81 -1.97 0.17 114.58 124.01 2kj9 h GLU 29 Ca -0.49 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 2kj9 h GLU 29 Cb 1.24 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2kj9 h GLU 29 CO 0.62 0.30 0.09 0.22 -0.73 0.00 0.00 179.01 179.52 2kj9 h ASP 30 N 0.20 0.44 -0.63 1.04 3.58 -1.99 0.91 116.42 119.97 2kj9 h ASP 30 Ca 0.04 -0.21 -0.07 0.00 0.42 0.00 0.00 57.03 57.22 2kj9 h ASP 30 Cb 0.28 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.19 2kj9 h ASP 30 CO 0.01 0.53 0.12 0.22 -2.88 0.00 0.00 179.24 177.25 2kj9 h TYR 31 N 0.33 1.09 -0.70 0.28 3.20 -1.69 -2.04 116.97 117.45 2kj9 h TYR 31 Ca 0.10 -0.14 0.05 0.00 3.14 0.00 0.00 58.73 61.87 2kj9 h TYR 31 Cb 0.25 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.17 2kj9 h TYR 31 CO 0.01 0.92 0.46 1.96 -1.64 0.00 0.00 178.16 179.87 2kj9 h GLN 32 N 0.95 0.76 -0.27 1.82 4.20 -0.45 -0.03 115.11 122.09 2kj9 h GLN 32 Ca 0.19 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.87 2kj9 h GLN 32 Cb 0.40 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2kj9 h GLN 32 CO 0.01 0.50 0.16 -0.09 -0.67 0.00 0.00 178.83 178.74 2kj9 h ARG 33 N 0.78 0.32 -0.51 1.46 2.43 -0.10 0.45 114.38 119.21 2kj9 h ARG 33 Ca 0.29 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2kj9 h ARG 33 Cb 0.16 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2kj9 h ARG 33 CO -0.09 0.21 -0.08 0.66 -1.51 0.00 0.00 179.97 179.16 2kj9 h SER 34 N 0.33 0.91 -0.33 -3.80 4.64 -0.99 -0.15 113.55 114.15 2kj9 h SER 34 Ca 0.10 -0.28 -0.01 0.00 -0.47 0.00 0.00 61.79 61.14 2kj9 h SER 34 Cb -0.01 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.82 2kj9 h SER 34 CO -0.04 1.02 0.18 0.58 -0.87 0.00 0.00 176.83 177.69 2kj9 h VAL 35 N 0.83 1.14 -0.60 0.95 2.07 -0.63 -0.53 116.25 119.48 2kj9 h VAL 35 Ca 0.14 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.30 2kj9 h VAL 35 Cb 0.61 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2kj9 h VAL 35 CO 0.04 0.14 0.39 -0.25 0.02 0.00 0.00 177.57 177.91 2kj9 h TRP 36 N 0.41 0.76 -0.93 1.57 -0.00 0.13 -0.61 115.95 117.28 2kj9 h TRP 36 Ca 0.12 0.01 -0.01 0.00 -0.00 0.00 0.00 58.89 59.01 2kj9 h TRP 36 Cb 0.07 -0.26 -0.04 0.00 -0.00 0.00 0.00 29.16 28.92 2kj9 h TRP 36 CO -0.03 0.49 0.55 1.15 -0.00 0.00 0.00 178.44 180.60 2kj9 h THR 37 N 0.81 1.26 -0.71 2.65 2.02 -0.76 0.11 112.91 118.28 2kj9 h THR 37 Ca 0.22 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 66.77 2kj9 h THR 37 Cb -0.08 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.26 2kj9 h THR 37 CO -0.05 0.28 0.26 0.03 0.37 0.00 0.00 175.52 176.41 2kj9 h ARG 38 N 1.29 1.09 0.19 6.66 3.08 -0.39 -0.86 114.38 125.42 2kj9 h ARG 38 Ca 0.33 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2kj9 h ARG 38 Cb -0.04 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2kj9 h ARG 38 CO -0.06 0.91 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.59 2kj9 h LEU 39 N 1.04 -0.21 -0.96 3.04 3.38 -0.47 -1.32 115.31 119.80 2kj9 h LEU 39 Ca 0.23 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2kj9 h LEU 39 Cb 0.26 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2kj9 h LEU 39 CO -0.01 0.04 0.62 -0.33 0.09 0.00 0.00 178.44 178.85 2kj9 h GLU 40 N -0.47 1.16 -0.00 1.13 5.08 -0.90 0.11 114.58 120.69 2kj9 h GLU 40 Ca -0.03 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2kj9 h GLU 40 Cb 0.36 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kj9 h GLU 40 CO 0.04 0.77 -0.03 1.15 -1.00 0.00 0.00 179.01 179.94 2kj9 h THR 41 N 1.20 1.58 0.03 1.13 2.02 -1.11 -3.35 112.91 114.42 2kj9 h THR 41 Ca 0.39 -1.76 -0.37 0.00 0.77 0.00 0.00 66.41 65.44 2kj9 h THR 41 Cb 0.02 2.76 -0.05 0.00 -1.74 0.00 0.00 68.15 69.14 2kj9 h THR 41 CO -0.13 0.46 -2.08 -1.22 0.37 0.00 0.00 175.52 172.92 2kj9 n TYR 42 N -4.70 0.57 -0.09 3.16 4.01 -0.50 -4.64 117.16 114.95 2kj9 n TYR 42 Ca -0.09 0.17 -0.23 0.00 -0.16 0.00 0.00 57.90 57.59 2kj9 n TYR 42 Cb 0.38 -1.07 -0.12 0.00 -0.31 0.00 0.00 39.34 38.23 2kj9 n TYR 42 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2kj9 n LEU 43 N -3.86 2.10 -0.29 7.72 4.32 -0.43 -4.47 117.00 122.10 2kj9 n LEU 43 Ca -0.41 0.32 0.11 0.00 -0.02 0.00 0.00 56.01 56.01 2kj9 n LEU 43 Cb 0.90 -0.96 0.27 0.00 -1.62 0.00 0.00 43.42 42.01 2kj9 n LEU 43 CO 0.23 0.50 0.97 -0.26 -1.22 0.00 0.00 177.39 177.61 2kj9 h PHE 44 N -0.74 0.42 0.00 -1.77 -1.00 -0.98 0.32 116.94 113.20 2kj9 h PHE 44 Ca -0.46 0.05 -0.05 0.00 2.81 0.00 0.00 57.97 60.31 2kj9 h PHE 44 Cb 1.55 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 41.05 2kj9 h PHE 44 CO 0.05 -0.13 -0.23 -1.00 -1.61 0.00 0.00 178.31 175.39 2kj9 h PRO 45 N 0.28 0.00 0.00 1.51 0.13 -1.79 -1.87 132.00 130.27 2kj9 h PRO 45 Ca 0.52 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 65.29 2kj9 h PRO 45 Cb 0.99 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.06 2kj9 h PRO 45 CO -0.58 0.23 -2.17 -0.25 -0.23 0.00 0.00 178.00 175.00 2kj9 n ASP 46 N -3.65 1.71 0.13 1.44 8.00 -0.27 -4.49 116.55 119.42 2kj9 n ASP 46 Ca -0.01 0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.78 2kj9 n ASP 46 Cb 0.36 -0.71 0.09 0.00 -0.02 0.00 0.00 41.12 40.84 2kj9 n ASP 46 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2kj9 h ILE 47 N -0.87 1.27 0.00 0.53 1.08 -0.57 -3.16 117.51 115.79 2kj9 h ILE 47 Ca -0.54 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 2kj9 h ILE 47 Cb 1.46 2.38 0.00 0.00 -3.07 0.00 0.00 36.82 37.59 2kj9 h ILE 47 CO -0.33 0.64 0.00 0.61 -0.69 0.00 0.00 178.15 178.38 2kj9 n GLY 48 N 0.81 -0.97 1.25 5.37 0.00 -0.70 -2.31 105.19 108.64 2kj9 n GLY 48 Ca 0.00 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.95 2kj9 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kj9 n ASN 49 N -0.98 3.63 -4.36 1.61 2.85 -1.19 -4.71 115.26 112.10 2kj9 n ASN 49 Ca 0.22 -1.99 -0.23 0.00 -0.11 0.00 0.00 54.58 52.47 2kj9 n ASN 49 Cb 0.10 -0.43 -0.11 0.00 1.24 0.00 0.00 39.78 40.58 2kj9 n ASN 49 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2kj9 s LYS 50 N -1.14 1.34 -0.02 1.20 1.02 -0.98 -5.02 119.74 116.14 2kj9 s LYS 50 Ca 0.45 -1.45 0.02 0.00 0.02 0.00 0.00 55.97 55.01 2kj9 s LYS 50 Cb 0.24 -1.46 0.09 0.00 -0.52 0.00 0.00 37.83 36.18 2kj9 s LYS 50 CO 0.31 0.30 0.71 -3.47 -0.92 0.00 0.00 175.35 172.28 2kj9 n ASP 51 N 0.24 1.33 0.00 2.83 2.03 -1.26 -4.04 116.55 117.68 2kj9 n ASP 51 Ca -0.13 -2.08 0.00 0.00 0.52 0.00 0.00 54.79 53.10 2kj9 n ASP 51 Cb 0.57 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 40.53 2kj9 n ASP 51 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2kj9 n ILE 52 N 0.01 0.00 1.06 5.18 2.08 -1.26 -4.47 119.36 121.96 2kj9 n ILE 52 Ca 0.03 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.35 2kj9 n ILE 52 Cb 0.31 0.00 0.04 0.00 -0.75 0.00 0.00 39.64 39.23 2kj9 n ILE 52 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kj9 n ALA 53 N 0.00 2.60 -1.50 -1.39 0.00 -1.26 -2.89 120.51 116.07 2kj9 n ALA 53 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.34 2kj9 n ALA 53 Cb 0.00 -1.01 0.11 0.00 0.00 0.00 0.00 19.45 18.56 2kj9 n ALA 53 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2kj9 n GLU 54 N -0.03 0.95 -3.86 0.00 2.13 -1.26 -5.00 120.64 113.57 2kj9 n GLU 54 Ca 0.03 -2.33 -0.36 0.00 0.66 0.00 0.00 57.16 55.15 2kj9 n GLU 54 Cb 0.27 -1.18 -0.13 0.00 0.27 0.00 0.00 31.44 30.67 2kj9 n GLU 54 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kj9 s LEU 55 N -2.08 3.62 0.39 4.31 1.43 -1.14 -4.88 118.68 120.34 2kj9 s LEU 55 Ca 0.26 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.55 2kj9 s LEU 55 Cb 0.25 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 44.69 2kj9 s LEU 55 CO -0.01 -0.18 0.56 -0.62 0.23 0.00 0.00 176.35 176.32 2kj9 s ASP 56 N 1.39 5.82 0.32 2.29 2.15 -1.26 -4.90 116.67 122.48 2kj9 s ASP 56 Ca 0.00 -0.13 0.08 0.00 0.43 0.00 0.00 52.55 52.94 2kj9 s ASP 56 Cb -0.17 -1.14 0.80 0.00 -0.30 0.00 0.00 42.92 42.10 2kj9 s ASP 56 CO -0.01 -0.61 1.79 0.74 -0.17 0.00 0.00 175.17 176.91 2kj9 h THR 57 N 0.67 0.70 -0.60 1.71 2.02 -1.99 -0.29 112.91 115.12 2kj9 h THR 57 Ca -0.44 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 2kj9 h THR 57 Cb 1.26 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 2kj9 h THR 57 CO 0.52 0.13 0.12 1.23 0.37 0.00 0.00 175.52 177.89 2kj9 h GLY 58 N 0.71 1.05 2.00 2.16 0.00 -1.94 0.11 103.07 107.16 2kj9 h GLY 58 Ca 0.56 -0.68 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2kj9 h GLY 58 CO -0.34 0.63 -0.08 -0.55 0.00 0.00 0.00 176.54 176.19 2kj9 h ASP 59 N 0.89 0.00 0.28 0.19 3.32 -1.45 -2.19 116.42 117.46 2kj9 h ASP 59 Ca 0.19 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.91 2kj9 h ASP 59 Cb 0.39 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.89 2kj9 h ASP 59 CO 0.01 0.08 -1.94 0.18 -1.72 0.00 0.00 179.24 175.85 2kj9 n LEU 60 N -3.62 1.41 -0.02 1.55 4.77 -0.76 -4.23 117.00 116.09 2kj9 n LEU 60 Ca -0.02 0.26 -0.02 0.00 -0.03 0.00 0.00 56.01 56.20 2kj9 n LEU 60 Cb 0.20 -0.23 0.23 0.00 -2.33 0.00 0.00 43.42 41.29 2kj9 n LEU 60 CO 0.29 0.58 0.85 -0.07 -1.33 0.00 0.00 177.39 177.70 2kj9 h LEU 61 N 0.02 0.56 0.08 2.23 3.38 -0.29 -2.82 115.31 118.47 2kj9 h LEU 61 Ca -0.38 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.44 2kj9 h LEU 61 Cb 2.04 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.65 2kj9 h LEU 61 CO 0.06 0.69 -0.04 0.58 0.09 0.00 0.00 178.44 179.82 2kj9 h VAL 62 N 0.54 0.96 -0.89 1.22 2.07 -1.59 0.65 116.25 119.21 2kj9 h VAL 62 Ca 0.10 -0.14 0.08 0.00 0.82 0.00 0.00 66.70 67.56 2kj9 h VAL 62 Cb 0.48 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.24 2kj9 h VAL 62 CO 0.03 0.03 0.58 -0.65 0.02 0.00 0.00 177.57 177.58 2kj9 h PRO 63 N -0.17 0.94 -0.56 1.57 0.11 -1.74 0.74 132.00 132.88 2kj9 h PRO 63 Ca -0.01 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 66.00 2kj9 h PRO 63 Cb 0.14 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2kj9 h PRO 63 CO 0.02 0.62 0.20 0.82 -0.21 0.00 0.00 178.00 179.45 2kj9 h ILE 64 N 0.97 1.23 0.00 4.15 2.04 -1.17 -2.31 117.51 122.42 2kj9 h ILE 64 Ca 0.40 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.46 2kj9 h ILE 64 Cb 0.27 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2kj9 h ILE 64 CO -0.16 0.29 -0.16 0.50 0.00 0.00 0.00 178.15 178.62 2kj9 h LYS 65 N 0.78 0.00 -0.61 2.37 3.64 0.13 0.11 116.57 123.00 2kj9 h LYS 65 Ca 0.18 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.48 2kj9 h LYS 65 Cb 0.25 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 2kj9 h LYS 65 CO -0.01 0.16 0.05 -0.22 -2.27 0.00 0.00 179.45 177.16 2kj9 h LYS 66 N 0.00 1.03 0.00 1.90 3.64 0.99 0.38 116.57 124.52 2kj9 h LYS 66 Ca -0.00 -0.30 -0.18 0.00 -1.27 0.00 0.00 60.65 58.89 2kj9 h LYS 66 Cb 0.62 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.31 2kj9 h LYS 66 CO 0.02 0.99 -0.86 0.82 -2.27 0.00 0.00 179.45 178.15 2kj9 h ILE 67 N 0.94 1.59 -0.41 2.00 2.04 -0.91 -1.72 117.51 121.04 2kj9 h ILE 67 Ca 0.18 -2.88 0.02 0.00 1.00 0.00 0.00 64.86 63.18 2kj9 h ILE 67 Cb 0.49 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.11 2kj9 h ILE 67 CO 0.02 0.82 0.25 -0.08 0.00 0.00 0.00 178.15 179.16 2kj9 h GLU 68 N 0.02 0.48 0.00 2.37 4.81 -0.45 -1.54 114.58 120.27 2kj9 h GLU 68 Ca -0.02 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2kj9 h GLU 68 Cb 1.51 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.78 2kj9 h GLU 68 CO 0.12 0.32 0.00 1.17 -0.73 0.00 0.00 179.01 179.89 2kj9 n LYS 69 N -4.85 0.22 0.08 1.92 4.81 0.13 -1.55 118.16 118.92 2kj9 n LYS 69 Ca 0.01 0.38 0.13 0.00 -0.87 0.00 0.00 58.31 57.96 2kj9 n LYS 69 Cb 0.06 -1.87 0.35 0.00 0.02 0.00 0.00 35.03 33.59 2kj9 n LYS 69 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kj9 n LEU 70 N -2.27 0.72 0.00 3.14 7.94 -0.63 -4.92 117.00 120.98 2kj9 n LEU 70 Ca 0.03 0.46 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2kj9 n LEU 70 Cb 0.28 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.93 2kj9 n LEU 70 CO 0.22 -0.13 0.00 0.61 -1.11 0.00 0.00 177.39 176.99 2kj9 n GLY 71 N 1.34 0.51 3.29 -3.96 0.00 -0.60 -5.00 105.19 100.76 2kj9 n GLY 71 Ca 0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.64 2kj9 n GLY 71 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kj9 s TYR 72 N -2.21 4.19 0.29 1.61 2.02 -0.95 -4.83 117.35 117.47 2kj9 s TYR 72 Ca 0.00 -2.76 0.01 0.00 -0.37 0.00 0.00 57.07 53.95 2kj9 s TYR 72 Cb 0.00 -3.71 0.44 0.00 -0.40 0.00 0.00 41.96 38.29 2kj9 s TYR 72 CO 0.00 -0.90 1.80 -0.07 -1.57 0.00 0.00 175.55 174.81 2kj9 h LEU 73 N 6.53 0.63 -0.17 -1.29 3.38 -1.87 -1.07 115.31 121.46 2kj9 h LEU 73 Ca 0.17 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kj9 h LEU 73 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2kj9 h LEU 73 CO 0.98 0.72 0.06 -0.08 0.09 0.00 0.00 178.44 180.21 2kj9 h GLU 74 N 0.62 0.25 -0.83 1.13 4.81 -1.95 -1.86 114.58 116.76 2kj9 h GLU 74 Ca 0.12 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.28 2kj9 h GLU 74 Cb 0.42 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 2kj9 h GLU 74 CO 0.02 0.34 0.41 0.82 -0.73 0.00 0.00 179.01 179.86 2kj9 h ILE 75 N 0.11 1.25 -0.59 2.32 2.04 -1.90 -0.25 117.51 120.50 2kj9 h ILE 75 Ca 0.06 -0.70 0.06 0.00 1.00 0.00 0.00 64.86 65.28 2kj9 h ILE 75 Cb 0.18 0.19 -0.06 0.00 -0.74 0.00 0.00 36.82 36.40 2kj9 h ILE 75 CO -0.00 0.30 0.29 0.00 0.00 0.00 0.00 178.15 178.74 2kj9 h ALA 76 N 1.22 0.77 -0.54 1.87 0.00 -1.00 0.39 119.26 121.97 2kj9 h ALA 76 Ca 0.29 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 2kj9 h ALA 76 Cb 0.10 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2kj9 h ALA 76 CO -0.04 -0.07 -0.02 0.52 0.00 0.00 0.00 179.25 179.64 2kj9 h MET 77 N 0.54 0.93 -0.19 0.00 2.86 -0.77 -1.04 114.93 117.25 2kj9 h MET 77 Ca 0.27 -0.28 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2kj9 h MET 77 Cb 0.22 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2kj9 h MET 77 CO -0.21 0.93 -0.07 0.00 1.06 0.00 0.00 176.91 178.63 2kj9 h ARG 78 N 0.85 0.38 -0.20 1.72 3.08 -0.03 -2.23 114.38 117.95 2kj9 h ARG 78 Ca 0.16 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.96 2kj9 h ARG 78 Cb 0.53 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 2kj9 h ARG 78 CO 0.03 0.66 -0.25 0.28 -1.07 0.00 0.00 179.97 179.62 2kj9 h VAL 79 N 0.09 1.26 -0.86 2.04 2.07 -0.24 -1.72 116.25 118.88 2kj9 h VAL 79 Ca 0.05 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.36 2kj9 h VAL 79 Cb 0.53 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.64 2kj9 h VAL 79 CO 0.02 0.38 0.57 0.50 0.02 0.00 0.00 177.57 179.06 2kj9 h LYS 80 N 0.34 1.12 -0.35 1.57 3.64 -1.07 0.01 116.57 121.82 2kj9 h LYS 80 Ca 0.05 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2kj9 h LYS 80 Cb 0.63 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 2kj9 h LYS 80 CO 0.05 0.74 0.13 0.37 -2.27 0.00 0.00 179.45 178.46 2kj9 h GLN 81 N 1.15 0.53 -0.23 1.90 5.75 -0.70 0.27 115.11 123.79 2kj9 h GLN 81 Ca 0.32 -0.11 0.01 0.00 -0.15 0.00 0.00 58.65 58.73 2kj9 h GLN 81 Cb -0.11 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.34 2kj9 h GLN 81 CO -0.07 0.54 0.12 1.88 -2.65 0.00 0.00 178.83 178.65 2kj9 h TYR 82 N 0.42 0.22 -0.55 3.99 0.05 -0.95 -1.95 116.97 118.20 2kj9 h TYR 82 Ca 0.12 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.93 2kj9 h TYR 82 Cb 0.22 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 37.85 2kj9 h TYR 82 CO 0.00 0.13 0.33 0.00 -1.05 0.00 0.00 178.16 177.57 2kj9 h ALA 83 N 1.11 0.71 -0.65 3.88 0.00 -0.72 -1.36 119.26 122.23 2kj9 h ALA 83 Ca 0.09 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2kj9 h ALA 83 Cb 0.02 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2kj9 h ALA 83 CO -0.06 0.05 0.43 1.15 0.00 0.00 0.00 179.25 180.82 2kj9 h THR 84 N 0.66 1.07 -0.43 0.00 2.02 -0.12 0.41 112.91 116.53 2kj9 h THR 84 Ca 0.22 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 67.01 2kj9 h THR 84 Cb 0.02 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2kj9 h THR 84 CO -0.10 0.13 -0.28 0.00 0.37 0.00 0.00 175.52 175.64 2kj9 h ALA 85 N 1.63 0.61 -0.42 6.16 0.00 -0.61 -2.30 119.26 124.33 2kj9 h ALA 85 Ca 0.26 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2kj9 h ALA 85 Cb 0.13 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2kj9 h ALA 85 CO -0.08 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.61 2kj9 h ILE 86 N 0.78 1.23 -0.23 0.00 2.04 -0.09 -1.83 117.51 119.41 2kj9 h ILE 86 Ca 0.09 -0.98 0.02 0.00 1.00 0.00 0.00 64.86 64.99 2kj9 h ILE 86 Cb 0.87 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2kj9 h ILE 86 CO 0.08 0.34 0.10 0.24 0.00 0.00 0.00 178.15 178.90 2kj9 h MET 87 N 0.65 0.21 -0.49 2.37 2.86 0.01 0.24 114.93 120.78 2kj9 h MET 87 Ca 0.13 -0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.69 2kj9 h MET 87 Cb 0.44 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2kj9 h MET 87 CO 0.02 0.14 0.06 -0.09 1.06 0.00 0.00 176.91 178.10 2kj9 h ARG 88 N 0.22 0.78 -0.61 1.72 2.43 -1.20 0.10 114.38 117.81 2kj9 h ARG 88 Ca 0.10 -0.18 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kj9 h ARG 88 Cb 0.04 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2kj9 h ARG 88 CO -0.08 0.75 0.36 -0.92 -1.51 0.00 0.00 179.97 178.58 2kj9 h TYR 89 N 0.74 0.81 -0.46 2.20 3.20 -0.73 -0.68 116.97 122.06 2kj9 h TYR 89 Ca 0.16 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 2kj9 h TYR 89 Cb 0.37 -0.27 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2kj9 h TYR 89 CO 0.02 0.56 -0.03 0.00 -1.64 0.00 0.00 178.16 177.07 2kj9 h ALA 90 N 1.18 1.09 -0.27 1.82 0.00 0.34 0.78 119.26 124.20 2kj9 h ALA 90 Ca 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kj9 h ALA 90 Cb -0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2kj9 h ALA 90 CO -0.04 0.57 0.13 0.28 0.00 0.00 0.00 179.25 180.19 2kj9 h VAL 91 N 0.72 1.15 -0.03 0.00 2.07 -0.40 0.35 116.25 120.12 2kj9 h VAL 91 Ca 0.14 -0.44 -0.10 0.00 0.82 0.00 0.00 66.70 67.12 2kj9 h VAL 91 Cb 0.48 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 2kj9 h VAL 91 CO 0.02 0.15 -0.44 1.56 0.02 0.00 0.00 177.57 178.89 2kj9 h GLN 92 N 0.30 0.06 -0.00 1.57 4.20 -0.85 -1.52 115.11 118.87 2kj9 h GLN 92 Ca 0.09 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2kj9 h GLN 92 Cb 0.13 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 2kj9 h GLN 92 CO -0.01 0.49 -0.02 0.94 -0.67 0.00 0.00 178.83 179.56 2kj9 n GLN 93 N -4.01 1.01 -3.14 1.46 7.27 0.24 -4.91 117.38 115.30 2kj9 n GLN 93 Ca -0.02 -0.24 -0.18 0.00 0.07 0.00 0.00 57.00 56.63 2kj9 n GLN 93 Cb 0.47 -1.49 0.05 0.00 2.41 0.00 0.00 30.24 31.68 2kj9 n GLN 93 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2kj9 n LYS 94 N -0.78 -5.17 -0.04 3.69 5.02 -0.50 -4.91 118.16 115.46 2kj9 n LYS 94 Ca 0.20 0.67 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 2kj9 n LYS 94 Cb 0.21 -5.13 -0.14 0.00 -0.02 0.00 0.00 35.03 29.95 2kj9 n LYS 94 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kj9 n MET 95 N -3.69 0.67 -4.51 1.97 2.81 0.11 -4.99 117.12 109.50 2kj9 n MET 95 Ca -0.03 0.21 -0.26 0.00 -1.81 0.00 0.00 57.70 55.81 2kj9 n MET 95 Cb 0.57 -1.69 -0.08 0.00 -0.71 0.00 0.00 33.22 31.31 2kj9 n MET 95 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2kj9 s ILE 96 N -2.56 0.46 -0.19 2.02 -4.36 -1.17 -4.41 121.20 111.00 2kj9 s ILE 96 Ca -0.12 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.12 2kj9 s ILE 96 Cb 0.07 -2.29 -0.09 0.00 1.25 0.00 0.00 42.46 41.40 2kj9 s ILE 96 CO 0.80 0.00 -0.13 0.54 0.24 0.00 0.00 174.94 176.39 2kj9 n ARG 97 N -0.94 0.52 -3.76 0.37 1.74 -1.26 -4.45 116.66 108.88 2kj9 n ARG 97 Ca -0.05 0.44 -0.10 0.00 -0.77 0.00 0.00 57.85 57.37 2kj9 n ARG 97 Cb 0.64 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 2kj9 n ARG 97 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2kj9 s PHE 98 N -2.44 -0.00 -0.10 -1.55 5.36 -1.26 -4.86 117.98 113.12 2kj9 s PHE 98 Ca -0.25 -0.36 -0.30 0.00 -0.96 0.00 0.00 56.93 55.06 2kj9 s PHE 98 Cb 0.05 0.12 -0.08 0.00 -0.34 0.00 0.00 43.02 42.78 2kj9 s PHE 98 CO 0.40 -0.67 2.09 0.09 -1.46 0.00 0.00 175.22 175.68 2kj9 n ASN 99 N -0.18 3.62 0.27 6.13 4.13 -1.26 -4.84 115.26 123.13 2kj9 n ASN 99 Ca -0.14 0.57 0.17 0.00 1.68 0.00 0.00 54.58 56.86 2kj9 n ASN 99 Cb 0.63 -1.52 0.67 0.00 -1.54 0.00 0.00 39.78 38.03 2kj9 n ASN 99 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2kj9 h PRO 100 N 12.59 0.00 -0.64 3.52 0.11 -1.95 -2.53 132.00 143.10 2kj9 h PRO 100 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2kj9 h PRO 100 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2kj9 h PRO 100 CO 0.95 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 2kj9 n ALA 101 N -2.11 3.20 -0.10 -0.75 0.00 -1.26 -4.14 120.51 115.35 2kj9 n ALA 101 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 53.44 51.85 2kj9 n ALA 101 Cb 0.31 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.59 2kj9 n ALA 101 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2kj9 n TYR 102 N 0.76 0.45 1.07 0.00 4.19 -0.95 -4.39 117.16 118.29 2kj9 n TYR 102 Ca 0.22 0.13 0.10 0.00 3.31 0.00 0.00 57.90 61.65 2kj9 n TYR 102 Cb 0.84 -1.05 0.54 0.00 0.49 0.00 0.00 39.34 40.15 2kj9 n TYR 102 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 2kj9 n ASP 103 N -3.75 0.00 0.18 2.98 9.92 -1.26 -2.13 116.55 122.48 2kj9 n ASP 103 Ca -0.43 -0.27 0.12 0.00 -0.53 0.00 0.00 54.79 53.69 2kj9 n ASP 103 Cb 0.93 -0.16 0.27 0.00 -0.64 0.00 0.00 41.12 41.52 2kj9 n ASP 103 CO 0.00 0.00 0.00 0.17 0.13 0.00 0.00 177.20 177.50 2kj9 h LEU 104 N 0.00 0.00 -8.33 0.64 8.10 -1.79 -3.38 115.31 110.54 2kj9 h LEU 104 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 57.88 57.43 2kj9 h LEU 104 Cb 0.11 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 40.23 2kj9 h LEU 104 CO 0.00 0.00 0.97 -0.70 -4.11 0.00 0.00 178.44 174.60 2kj9 s GLU 105 N -3.18 3.18 0.00 0.17 2.12 -0.91 -2.17 118.70 117.91 2kj9 s GLU 105 Ca 0.08 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 55.03 2kj9 s GLU 105 Cb 0.08 -4.21 0.00 0.00 0.26 0.00 0.00 34.13 30.25 2kj9 s GLU 105 CO 0.64 -2.09 0.00 0.41 -0.54 0.00 0.00 175.26 173.68 2kj9 n GLY 106 N 5.40 1.13 3.70 -1.50 0.00 -1.26 -5.10 105.19 107.56 2kj9 n GLY 106 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 2kj9 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kj9 s ALA 107 N -1.53 3.36 -2.00 4.61 0.00 -0.92 -4.91 121.76 120.36 2kj9 s ALA 107 Ca 0.00 0.50 0.13 0.00 0.00 0.00 0.00 51.96 52.59 2kj9 s ALA 107 Cb 0.00 -3.43 0.77 0.00 0.00 0.00 0.00 23.12 20.46 2kj9 s ALA 107 CO 0.00 -0.52 1.21 1.33 0.00 0.00 0.00 175.76 177.78 2kj9 n VAL 108 N 4.34 0.00 0.03 0.00 0.24 -1.26 -2.85 118.33 118.83 2kj9 n VAL 108 Ca 0.08 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.36 2kj9 n VAL 108 Cb 0.49 -0.58 0.22 0.00 -1.47 0.00 0.00 33.84 32.49 2kj9 n VAL 108 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2kj9 h GLN 109 N 0.00 0.43 0.00 7.34 4.20 -1.93 -3.05 115.11 122.10 2kj9 h GLN 109 Ca 0.00 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2kj9 h GLN 109 Cb 0.00 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 2kj9 h GLN 109 CO 0.00 0.66 -0.30 1.17 -0.67 0.00 0.00 178.83 179.69 2kj9 n LYS 110 N -4.12 1.25 -2.67 1.46 0.00 -1.13 -4.71 118.16 108.24 2kj9 n LYS 110 Ca -0.01 -2.75 -0.31 0.00 0.00 0.00 0.00 58.31 55.25 2kj9 n LYS 110 Cb 0.40 -1.40 -0.01 0.00 0.00 0.00 0.00 35.03 34.02 2kj9 n LYS 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kj9 n LEU 111 N -1.11 5.46 -4.75 3.14 4.77 -1.15 -5.07 117.00 118.30 2kj9 n LEU 111 Ca 0.16 -5.43 -0.38 0.00 -0.03 0.00 0.00 56.01 50.32 2kj9 n LEU 111 Cb 0.69 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2kj9 n LEU 111 CO -0.01 2.21 0.96 -1.61 -1.33 0.00 0.00 177.39 177.61 2kj9 s GLU 112 N -3.74 3.08 0.24 3.23 8.01 -1.26 -4.90 118.70 123.36 2kj9 s GLU 112 Ca 0.47 2.18 0.12 0.00 0.01 0.00 0.00 54.97 57.75 2kj9 s GLU 112 Cb 0.30 -2.19 0.12 0.00 -4.31 0.00 0.00 34.13 28.05 2kj9 s GLU 112 CO -0.18 -1.22 1.46 0.45 0.01 0.00 0.00 175.26 175.78 2kj9 h HIS 113 N 1.33 0.00 -3.28 1.61 3.86 -1.97 -3.37 115.15 113.33 2kj9 h HIS 113 Ca -0.51 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.10 2kj9 h HIS 113 Cb 1.30 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.37 2kj9 h HIS 113 CO 0.46 0.67 -0.75 -1.01 0.86 0.00 0.00 177.93 178.16 2kj9 s HIS 114 N -3.07 2.24 -0.27 2.45 3.76 -1.26 -5.09 115.29 114.05 2kj9 s HIS 114 Ca 0.02 -2.09 -0.29 0.00 -0.15 0.00 0.00 55.06 52.55 2kj9 s HIS 114 Cb 0.10 -2.03 -0.02 0.00 1.11 0.00 0.00 32.58 31.73 2kj9 s HIS 114 CO 0.76 -0.89 1.76 -1.01 -0.85 0.00 0.00 174.74 174.51 2kj9 s HIS 115 N 1.37 1.86 0.28 1.40 0.09 -1.26 -4.94 115.29 114.09 2kj9 s HIS 115 Ca 0.10 0.55 -0.23 0.00 -0.00 0.00 0.00 55.06 55.49 2kj9 s HIS 115 Cb -0.18 -4.08 -0.09 0.00 -0.00 0.00 0.00 32.58 28.23 2kj9 s HIS 115 CO -0.20 -3.10 0.84 -1.01 -0.00 0.00 0.00 174.74 171.28 2kj9 s HIS 116 N 6.29 3.65 -1.27 1.40 3.76 -1.26 -4.94 115.29 122.92 2kj9 s HIS 116 Ca 0.78 1.59 0.17 0.00 -0.15 0.00 0.00 55.06 57.46 2kj9 s HIS 116 Cb -0.24 -2.78 -0.08 0.00 1.11 0.00 0.00 32.58 30.59 2kj9 s HIS 116 CO 0.33 0.25 0.83 1.58 -0.85 0.00 0.00 174.74 176.87 2kj9 n HIS 117 N 0.56 0.00 -0.70 1.40 -0.00 -1.26 -5.21 115.22 110.02 2kj9 n HIS 117 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kj9 n HIS 117 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 2kj9 n HIS 117 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52