#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb3 n SER 2 N 0.00 0.57 -4.70 7.83 7.64 -1.26 -5.10 113.62 118.61 2kb3 n SER 2 Ca 0.00 -2.05 -0.39 0.00 1.01 0.00 0.00 58.87 57.44 2kb3 n SER 2 Cb 0.00 -0.26 0.03 0.00 -1.01 0.00 0.00 64.21 62.97 2kb3 n SER 2 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2kb3 n ASP 3 N 0.22 2.16 -4.89 6.43 9.92 -1.26 -4.99 116.55 124.13 2kb3 n ASP 3 Ca 0.04 0.98 -0.30 0.00 -0.53 0.00 0.00 54.79 54.98 2kb3 n ASP 3 Cb 0.93 -1.50 -0.04 0.00 -0.64 0.00 0.00 41.12 39.87 2kb3 n ASP 3 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 2kb3 s ASN 4 N -0.86 6.50 -0.29 -2.24 2.47 -1.26 -4.96 114.94 114.30 2kb3 s ASN 4 Ca 0.69 0.80 -0.04 0.00 0.42 0.00 0.00 52.86 54.73 2kb3 s ASN 4 Cb -0.45 -2.18 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2kb3 s ASN 4 CO 0.52 -0.18 2.81 -3.20 -3.72 0.00 0.00 177.10 173.33 2kb3 n ASN 5 N -0.74 6.10 0.04 -4.21 5.15 -1.26 -4.22 115.26 116.12 2kb3 n ASN 5 Ca -0.01 -2.95 -0.07 0.00 -0.60 0.00 0.00 54.58 50.95 2kb3 n ASN 5 Cb 0.53 -1.24 -0.12 0.00 -0.53 0.00 0.00 39.78 38.42 2kb3 n ASN 5 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2kb3 h GLY 6 N 3.89 0.00 -7.42 8.20 0.00 -2.03 -3.41 103.07 102.30 2kb3 h GLY 6 Ca 0.30 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.06 2kb3 h GLY 6 CO 0.64 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.82 2kb3 s THR 7 N -2.69 1.08 0.71 4.70 2.01 -1.26 -5.13 115.64 115.07 2kb3 s THR 7 Ca -0.01 -1.06 -0.15 0.00 0.31 0.00 0.00 61.69 60.79 2kb3 s THR 7 Cb 0.09 -1.53 0.03 0.00 0.01 0.00 0.00 72.50 71.10 2kb3 s THR 7 CO 0.82 -0.26 1.18 -2.84 -0.69 0.00 0.00 174.62 172.83 2kb3 s PRO 8 N 1.58 2.30 -0.16 4.92 0.02 -1.26 -4.97 135.00 137.43 2kb3 s PRO 8 Ca -0.01 1.66 -0.29 0.00 0.02 0.00 0.00 61.00 62.38 2kb3 s PRO 8 Cb -0.18 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.47 2kb3 s PRO 8 CO -0.10 -1.69 1.22 -1.21 -0.33 0.00 0.00 177.00 174.88 2kb3 s GLU 9 N -3.96 4.25 0.13 5.54 8.01 -1.26 -4.93 118.70 126.48 2kb3 s GLU 9 Ca 0.72 1.61 -0.31 0.00 0.01 0.00 0.00 54.97 57.00 2kb3 s GLU 9 Cb -0.27 -3.72 -0.11 0.00 -4.31 0.00 0.00 34.13 25.73 2kb3 s GLU 9 CO 0.44 -0.66 1.84 -1.25 0.01 0.00 0.00 175.26 175.64 2kb3 s PRO 10 N 3.30 4.13 -0.10 0.39 0.04 -1.26 -4.97 135.00 136.54 2kb3 s PRO 10 Ca 0.53 2.62 -0.17 0.00 0.04 0.00 0.00 61.00 64.02 2kb3 s PRO 10 Cb -0.21 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.72 2kb3 s PRO 10 CO 0.14 -0.85 0.43 -0.65 0.04 0.00 0.00 177.00 176.11 2kb3 s GLN 11 N 2.67 4.23 -0.20 4.56 -0.21 -1.26 -5.05 119.66 124.40 2kb3 s GLN 11 Ca 0.81 0.39 -0.03 0.00 0.02 0.00 0.00 55.36 56.55 2kb3 s GLN 11 Cb -0.47 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.16 2kb3 s GLN 11 CO 0.36 0.30 -0.08 0.08 -2.12 0.00 0.00 175.29 173.84 2kb3 s VAL 12 N 0.18 3.14 -0.16 1.09 1.01 -1.26 -5.06 120.40 119.34 2kb3 s VAL 12 Ca 0.24 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 2kb3 s VAL 12 Cb -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2kb3 s VAL 12 CO 0.10 0.46 0.06 -1.61 0.00 0.00 0.00 175.10 174.11 2kb3 s GLU 13 N 1.25 3.78 0.29 2.72 0.41 -1.26 -5.21 118.70 120.67 2kb3 s GLU 13 Ca 0.03 -0.32 -0.05 0.00 -0.41 0.00 0.00 54.97 54.22 2kb3 s GLU 13 Cb -0.14 -3.16 0.07 0.00 -1.78 0.00 0.00 34.13 29.12 2kb3 s GLU 13 CO -0.03 0.40 0.39 2.41 -0.49 0.00 0.00 175.26 177.94 2kb3 n THR 14 N 3.13 0.00 -3.58 3.63 -1.04 -1.26 -4.83 114.28 110.33 2kb3 n THR 14 Ca -0.17 -0.30 -0.15 0.00 -2.04 0.00 0.00 64.05 61.38 2kb3 n THR 14 Cb 0.53 -1.81 -0.06 0.00 -1.82 0.00 0.00 70.33 67.16 2kb3 n THR 14 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb3 s SER 16 N -2.44 -0.47 -0.19 8.00 0.15 -1.26 -4.39 113.70 113.11 2kb3 s SER 16 Ca 0.22 0.32 -0.27 0.00 0.70 0.00 0.00 55.95 56.92 2kb3 s SER 16 Cb -0.01 0.48 -0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2kb3 s SER 16 CO 0.16 -0.65 0.94 -0.69 1.20 0.00 0.00 173.24 174.19 2kb3 s VAL 17 N -1.94 4.79 -0.55 4.45 1.01 -1.26 -4.77 120.40 122.12 2kb3 s VAL 17 Ca -0.08 1.84 -0.24 0.00 0.00 0.00 0.00 61.98 63.50 2kb3 s VAL 17 Cb -0.01 -4.23 0.04 0.00 0.00 0.00 0.00 36.38 32.18 2kb3 s VAL 17 CO 0.02 -0.06 0.92 0.12 0.00 0.00 0.00 175.10 176.10 2kb3 s PHE 18 N 2.59 2.80 -0.16 5.22 2.19 0.12 -4.99 117.98 125.75 2kb3 s PHE 18 Ca 0.42 -0.08 0.01 0.00 0.33 0.00 0.00 56.93 57.60 2kb3 s PHE 18 Cb -0.16 -4.05 0.02 0.00 -1.31 0.00 0.00 43.02 37.52 2kb3 s PHE 18 CO 0.11 -1.35 -0.17 -0.98 1.83 0.00 0.00 175.22 174.66 2kb3 s ARG 19 N 3.87 2.59 0.00 10.12 1.70 -1.26 -4.53 118.95 131.43 2kb3 s ARG 19 Ca 0.29 -0.67 0.00 0.00 -0.47 0.00 0.00 55.73 54.88 2kb3 s ARG 19 Cb -0.13 -2.30 0.00 0.00 -0.57 0.00 0.00 34.95 31.95 2kb3 s ARG 19 CO 0.18 -0.22 0.00 0.00 -1.08 0.00 0.00 175.30 174.18 2kb3 n ALA 20 N 4.70 0.00 0.22 7.88 0.00 -1.26 -5.02 120.51 127.04 2kb3 n ALA 20 Ca -0.19 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.41 2kb3 n ALA 20 Cb 0.50 0.00 0.67 0.00 0.00 0.00 0.00 19.45 20.62 2kb3 n ALA 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2kb3 h ASP 21 N 0.00 0.00 -0.39 0.00 2.03 -2.02 -2.55 116.42 113.50 2kb3 h ASP 21 Ca 0.00 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.39 2kb3 h ASP 21 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2kb3 h ASP 21 CO 0.00 0.00 0.27 0.17 -1.03 0.00 0.00 179.24 178.65 2kb3 h LEU 22 N 0.00 0.08 -0.91 0.15 8.10 -1.96 -0.63 115.31 120.14 2kb3 h LEU 22 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.09 2kb3 h LEU 22 Cb 1.13 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 41.33 2kb3 h LEU 22 CO -0.00 0.05 0.00 0.00 -4.11 0.00 0.00 178.44 174.38 2kb3 n LEU 23 N -4.45 1.41 -0.08 0.17 -0.00 -0.96 -3.10 117.00 109.99 2kb3 n LEU 23 Ca 0.06 -0.47 -0.15 0.00 -0.00 0.00 0.00 56.01 55.44 2kb3 n LEU 23 Cb 0.40 -0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.75 2kb3 n LEU 23 CO 0.35 0.24 -1.04 0.29 -0.00 0.00 0.00 177.39 177.23 2kb3 n LYS 24 N 0.11 0.36 0.13 1.47 5.02 -0.36 -4.70 118.16 120.19 2kb3 n LYS 24 Ca 0.19 0.13 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 2kb3 n LYS 24 Cb 0.34 -1.16 0.25 0.00 -0.02 0.00 0.00 35.03 34.44 2kb3 n LYS 24 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kb3 h GLU 25 N -0.40 0.11 -0.94 1.97 4.39 -1.39 -3.28 114.58 115.05 2kb3 h GLU 25 Ca -0.39 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.34 2kb3 h GLU 25 Cb 1.42 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 30.00 2kb3 h GLU 25 CO -0.19 0.55 0.60 0.00 -1.16 0.00 0.00 179.01 178.82 2kb3 h MET 26 N 0.09 0.97 0.14 2.33 -0.00 -1.77 -1.07 114.93 115.63 2kb3 h MET 26 Ca 0.00 -0.06 -0.28 0.00 -0.00 0.00 0.00 59.70 59.36 2kb3 h MET 26 Cb 0.84 -0.22 0.01 0.00 -0.00 0.00 0.00 31.60 32.23 2kb3 h MET 26 CO 0.06 0.64 -1.29 1.49 -0.00 0.00 0.00 176.91 177.82 2kb3 h GLU 27 N 1.00 0.30 -0.09 -0.10 4.81 -1.83 -2.68 114.58 115.99 2kb3 h GLU 27 Ca 0.43 -0.52 -0.09 0.00 -0.13 0.00 0.00 59.36 59.04 2kb3 h GLU 27 Cb 0.32 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2kb3 h GLU 27 CO -0.18 1.24 -0.37 0.77 -0.73 0.00 0.00 179.01 179.74 2kb3 h SER 28 N 0.08 0.20 1.36 1.04 0.02 -1.58 -2.64 113.55 112.03 2kb3 h SER 28 Ca -0.16 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2kb3 h SER 28 Cb 2.00 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2kb3 h SER 28 CO 0.21 0.55 -0.24 0.77 -1.14 0.00 0.00 176.83 176.98 2kb3 h SER 29 N 0.17 0.00 -3.67 3.07 4.64 -1.19 -3.46 113.55 113.10 2kb3 h SER 29 Ca 0.02 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.72 2kb3 h SER 29 Cb 0.73 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.95 2kb3 h SER 29 CO 0.06 0.03 0.54 0.41 -0.87 0.00 0.00 176.83 177.00 2kb3 n THR 30 N -2.38 2.69 0.00 2.95 -1.04 -1.00 -3.51 114.28 111.99 2kb3 n THR 30 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2kb3 n THR 30 Cb 0.46 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 2kb3 n THR 30 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 31 N 0.76 3.51 3.66 3.41 0.00 -1.26 -5.04 105.19 110.23 2kb3 n GLY 31 Ca 0.06 -0.83 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 2kb3 n GLY 31 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 32 N 0.00 4.65 0.04 2.61 2.01 -1.23 -5.01 115.64 118.71 2kb3 s THR 32 Ca 0.00 1.99 0.06 0.00 0.31 0.00 0.00 61.69 64.05 2kb3 s THR 32 Cb 0.00 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 2kb3 s THR 32 CO 0.00 -0.21 -0.16 0.00 -0.69 0.00 0.00 174.62 173.56 2kb3 s ALA 33 N 3.25 1.35 0.62 7.40 0.00 -1.26 -5.01 121.76 128.12 2kb3 s ALA 33 Ca 0.44 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.34 2kb3 s ALA 33 Cb -0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 2kb3 s ALA 33 CO 0.07 0.28 1.26 -2.14 0.00 0.00 0.00 175.76 175.23 2kb3 s PRO 34 N -1.07 2.76 0.22 0.00 0.02 -1.26 -5.04 135.00 130.63 2kb3 s PRO 34 Ca 0.04 1.97 0.06 0.00 0.02 0.00 0.00 61.00 63.09 2kb3 s PRO 34 Cb -0.08 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 32.50 2kb3 s PRO 34 CO 0.01 -1.41 0.16 0.00 -0.33 0.00 0.00 177.00 175.44 2kb3 s ALA 35 N -1.47 3.56 -0.99 -1.55 0.00 -1.26 -4.97 121.76 115.08 2kb3 s ALA 35 Ca 0.80 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2kb3 s ALA 35 Cb -0.35 -1.30 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2kb3 s ALA 35 CO 0.37 0.36 1.57 -1.12 0.00 0.00 0.00 175.76 176.93 2kb3 s SER 36 N -3.53 6.17 0.00 0.00 0.01 -1.26 -4.69 113.70 110.41 2kb3 s SER 36 Ca 0.32 -1.26 0.00 0.00 1.31 0.00 0.00 55.95 56.32 2kb3 s SER 36 Cb -0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.58 2kb3 s SER 36 CO 0.24 -1.81 0.00 0.35 0.41 0.00 0.00 173.24 172.43 2kb3 n THR 37 N 7.12 0.00 -2.88 1.44 -2.24 -1.25 -4.82 114.28 111.65 2kb3 n THR 37 Ca 0.35 0.02 -0.25 0.00 -2.27 0.00 0.00 64.05 61.89 2kb3 n THR 37 Cb 0.50 -0.08 -0.03 0.00 -2.10 0.00 0.00 70.33 68.62 2kb3 n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kb3 n GLY 38 N 3.24 5.28 0.12 3.38 0.00 -1.26 -4.73 105.19 111.22 2kb3 n GLY 38 Ca 0.00 -2.59 -0.23 0.00 0.00 0.00 0.00 46.02 43.20 2kb3 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 n ALA 39 N -0.21 0.94 0.91 4.61 0.00 -1.26 -4.56 120.51 120.93 2kb3 n ALA 39 Ca 0.31 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 53.14 2kb3 n ALA 39 Cb 0.49 -0.41 0.44 0.00 0.00 0.00 0.00 19.45 19.97 2kb3 n ALA 39 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2kb3 n GLU 40 N -4.10 0.44 0.03 0.00 0.28 -1.26 -1.73 120.64 114.31 2kb3 n GLU 40 Ca -0.38 0.01 -0.05 0.00 -0.16 0.00 0.00 57.16 56.58 2kb3 n GLU 40 Cb 0.83 -1.50 -0.10 0.00 1.43 0.00 0.00 31.44 32.10 2kb3 n GLU 40 CO 0.00 0.00 0.00 -2.95 -0.16 0.00 0.00 177.13 174.02 2kb3 h ASN 41 N 0.00 0.00 -6.04 -1.84 -1.07 -1.94 -3.49 115.58 101.20 2kb3 h ASN 41 Ca 0.00 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.13 2kb3 h ASN 41 Cb 0.01 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.27 2kb3 h ASN 41 CO 0.00 0.85 -0.80 0.18 0.07 0.00 0.00 177.43 177.72 2kb3 n LEU 42 N -3.11 -4.64 0.00 6.14 4.77 -0.70 -5.01 117.00 114.43 2kb3 n LEU 42 Ca -0.08 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 2kb3 n LEU 42 Cb 0.94 -2.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.63 2kb3 n LEU 42 CO 0.45 -0.80 0.00 -0.81 -1.33 0.00 0.00 177.39 174.90 2kb3 n PRO 43 N -0.92 0.00 0.09 3.23 -0.04 -1.26 -4.65 135.00 131.45 2kb3 n PRO 43 Ca -0.06 0.18 -0.05 0.00 -0.04 0.00 0.00 63.50 63.53 2kb3 n PRO 43 Cb 0.59 -0.60 0.13 0.00 -0.04 0.00 0.00 33.50 33.58 2kb3 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 h ALA 44 N -2.00 0.87 0.00 0.55 0.00 -1.72 -3.47 119.26 113.49 2kb3 h ALA 44 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.37 2kb3 h ALA 44 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2kb3 h ALA 44 CO 0.00 0.72 0.00 0.41 0.00 0.00 0.00 179.25 180.38 2kb3 n GLY 45 N 0.24 0.69 3.31 0.00 0.00 -1.26 -5.00 105.19 103.17 2kb3 n GLY 45 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2kb3 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb3 s SER 46 N -2.23 1.53 0.07 1.61 0.01 -1.26 -3.99 113.70 109.43 2kb3 s SER 46 Ca 0.00 -1.27 -0.11 0.00 1.31 0.00 0.00 55.95 55.88 2kb3 s SER 46 Cb 0.00 0.08 0.01 0.00 0.21 0.00 0.00 66.02 66.31 2kb3 s SER 46 CO 0.00 -0.60 0.24 0.00 0.41 0.00 0.00 173.24 173.29 2kb3 s ALA 47 N -3.57 -0.44 -0.02 1.44 0.00 -1.22 -0.02 121.76 117.91 2kb3 s ALA 47 Ca 0.31 -0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.00 2kb3 s ALA 47 Cb 0.07 0.40 -0.00 0.00 0.00 0.00 0.00 23.12 23.58 2kb3 s ALA 47 CO 0.10 -0.45 -0.13 -0.48 0.00 0.00 0.00 175.76 174.79 2kb3 s LEU 48 N -2.41 1.93 -0.10 0.00 -0.00 0.71 0.07 118.68 118.87 2kb3 s LEU 48 Ca -0.01 -0.26 -0.01 0.00 -0.00 0.00 0.00 54.13 53.84 2kb3 s LEU 48 Cb 0.01 -0.74 -0.03 0.00 -0.00 0.00 0.00 46.19 45.43 2kb3 s LEU 48 CO -0.07 0.14 -0.03 -1.48 -0.00 0.00 0.00 176.35 174.90 2kb3 s LEU 49 N -0.08 3.35 -0.14 1.48 0.05 0.28 -0.92 118.68 122.69 2kb3 s LEU 49 Ca 0.00 0.01 -0.01 0.00 0.05 0.00 0.00 54.13 54.19 2kb3 s LEU 49 Cb -0.08 -1.76 -0.01 0.00 -2.05 0.00 0.00 46.19 42.28 2kb3 s LEU 49 CO 0.00 0.31 -0.12 0.54 -0.55 0.00 0.00 176.35 176.54 2kb3 s VAL 50 N -0.49 3.13 -0.28 1.48 0.11 0.36 -0.16 120.40 124.55 2kb3 s VAL 50 Ca 0.08 -0.63 -0.26 0.00 -2.93 0.00 0.00 61.98 58.25 2kb3 s VAL 50 Cb -0.12 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.40 2kb3 s VAL 50 CO 0.02 0.51 0.90 -0.69 -3.33 0.00 0.00 175.10 172.51 2kb3 s VAL 51 N 0.47 4.72 -0.13 2.04 1.01 -0.39 -0.62 120.40 127.51 2kb3 s VAL 51 Ca -0.08 1.53 0.12 0.00 0.00 0.00 0.00 61.98 63.54 2kb3 s VAL 51 Cb -0.16 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 2kb3 s VAL 51 CO 0.04 -0.25 0.32 1.17 0.00 0.00 0.00 175.10 176.38 2kb3 n LYS 52 N 6.33 0.67 -3.84 2.72 4.81 0.12 -0.32 118.16 128.65 2kb3 n LYS 52 Ca 0.07 0.16 -0.13 0.00 -0.87 0.00 0.00 58.31 57.54 2kb3 n LYS 52 Cb 0.47 -1.65 -0.14 0.00 0.02 0.00 0.00 35.03 33.73 2kb3 n LYS 52 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kb3 s ARG 53 N -2.54 0.05 0.00 1.64 3.52 -0.63 -4.71 118.95 116.28 2kb3 s ARG 53 Ca -0.11 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2kb3 s ARG 53 Cb 0.07 -0.01 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 2kb3 s ARG 53 CO 0.80 -0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.67 2kb3 n GLY 54 N 3.24 3.03 0.31 8.12 0.00 -1.26 -1.36 105.19 117.27 2kb3 n GLY 54 Ca -0.15 -1.57 0.01 0.00 0.00 0.00 0.00 46.02 44.31 2kb3 n GLY 54 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kb3 h PRO 55 N 0.00 0.90 -0.82 1.61 0.11 -1.89 -1.72 132.00 130.19 2kb3 h PRO 55 Ca 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.97 2kb3 h PRO 55 Cb 0.00 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.86 2kb3 h PRO 55 CO 0.00 0.60 0.10 0.27 -0.21 0.00 0.00 178.00 178.76 2kb3 n ASN 56 N -4.64 3.70 -4.76 -2.05 6.94 -1.26 -4.95 115.26 108.23 2kb3 n ASN 56 Ca 0.12 -2.65 -0.39 0.00 -0.02 0.00 0.00 54.58 51.64 2kb3 n ASN 56 Cb 0.18 -0.63 0.02 0.00 -2.36 0.00 0.00 39.78 36.99 2kb3 n ASN 56 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2kb3 s ALA 57 N -2.01 2.98 0.00 -2.53 0.00 -0.65 -2.96 121.76 116.59 2kb3 s ALA 57 Ca 0.32 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2kb3 s ALA 57 Cb 0.25 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kb3 s ALA 57 CO 0.09 -1.15 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2kb3 n GLY 58 N 0.64 3.06 3.84 0.00 0.00 0.56 -4.96 105.19 108.33 2kb3 n GLY 58 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2kb3 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb3 s ALA 59 N -2.74 3.55 -0.06 4.61 0.00 -1.16 -4.89 121.76 121.06 2kb3 s ALA 59 Ca 0.00 -0.06 0.06 0.00 0.00 0.00 0.00 51.96 51.96 2kb3 s ALA 59 Cb 0.00 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.52 2kb3 s ALA 59 CO 0.00 0.43 -0.24 -0.98 0.00 0.00 0.00 175.76 174.96 2kb3 s ARG 60 N -1.88 2.61 -0.15 0.00 1.70 -1.26 -1.26 118.95 118.71 2kb3 s ARG 60 Ca 0.38 -0.89 0.01 0.00 -0.47 0.00 0.00 55.73 54.75 2kb3 s ARG 60 Cb -0.16 -2.19 0.00 0.00 -0.57 0.00 0.00 34.95 32.03 2kb3 s ARG 60 CO 0.19 0.37 -0.17 -0.06 -1.08 0.00 0.00 175.30 174.56 2kb3 s PHE 61 N -0.13 2.76 -0.19 5.89 0.08 0.78 -4.93 117.98 122.24 2kb3 s PHE 61 Ca -0.05 -1.12 -0.20 0.00 0.12 0.00 0.00 56.93 55.68 2kb3 s PHE 61 Cb -0.14 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.40 2kb3 s PHE 61 CO 0.04 -0.51 0.61 -1.17 -0.10 0.00 0.00 175.22 174.09 2kb3 s LEU 62 N 0.84 4.16 -0.57 -0.37 2.96 -1.26 -0.56 118.68 123.88 2kb3 s LEU 62 Ca -0.05 0.83 -0.24 0.00 -0.22 0.00 0.00 54.13 54.45 2kb3 s LEU 62 Cb -0.15 -2.87 0.04 0.00 0.50 0.00 0.00 46.19 43.72 2kb3 s LEU 62 CO -0.01 -0.24 0.97 -0.76 -1.32 0.00 0.00 176.35 174.99 2kb3 s LEU 63 N 1.76 4.07 -0.03 -0.68 1.43 0.11 -4.83 118.68 120.52 2kb3 s LEU 63 Ca 0.28 -0.42 0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2kb3 s LEU 63 Cb -0.16 -2.78 -0.18 0.00 0.03 0.00 0.00 46.19 43.10 2kb3 s LEU 63 CO 0.11 -1.29 0.23 -0.67 0.23 0.00 0.00 176.35 174.96 2kb3 n ASP 64 N 7.61 2.26 -4.76 2.29 2.03 -1.26 -3.44 116.55 121.28 2kb3 n ASP 64 Ca 0.01 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.06 2kb3 n ASP 64 Cb 0.47 1.45 -0.06 0.00 -0.72 0.00 0.00 41.12 42.26 2kb3 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb3 s GLN 65 N -2.76 2.75 0.59 -0.67 -2.07 -1.26 -5.00 119.66 111.25 2kb3 s GLN 65 Ca -0.05 -0.92 0.29 0.00 -1.82 0.00 0.00 55.36 52.86 2kb3 s GLN 65 Cb 0.07 -2.57 1.48 0.00 -1.09 0.00 0.00 33.01 30.91 2kb3 s GLN 65 CO 0.49 0.48 1.91 -1.35 -1.32 0.00 0.00 175.29 175.50 2kb3 h PRO 66 N 2.57 0.00 -3.25 9.60 0.11 -1.93 -3.37 132.00 135.72 2kb3 h PRO 66 Ca -0.47 0.00 -0.35 0.00 0.11 0.00 0.00 66.00 65.29 2kb3 h PRO 66 Cb 1.20 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.93 2kb3 h PRO 66 CO 0.62 0.00 -0.71 0.99 -0.21 0.00 0.00 178.00 178.69 2kb3 s THR 67 N -4.63 -0.15 -0.25 -1.15 2.01 -1.26 -0.73 115.64 109.49 2kb3 s THR 67 Ca -0.04 0.41 -0.01 0.00 0.31 0.00 0.00 61.69 62.36 2kb3 s THR 67 Cb 0.16 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.51 2kb3 s THR 67 CO 0.56 0.17 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.69 2kb3 s THR 68 N 2.19 2.69 0.04 -0.82 2.01 0.79 -4.96 115.64 117.58 2kb3 s THR 68 Ca 0.04 -1.15 -0.22 0.00 0.31 0.00 0.00 61.69 60.67 2kb3 s THR 68 Cb -0.12 -2.39 -0.06 0.00 0.01 0.00 0.00 72.50 69.94 2kb3 s THR 68 CO -0.04 0.17 0.66 0.42 -0.69 0.00 0.00 174.62 175.14 2kb3 s THR 69 N 1.28 4.76 -0.07 -0.82 -4.23 -1.26 -0.25 115.64 115.04 2kb3 s THR 69 Ca -0.01 1.40 0.05 0.00 -1.18 0.00 0.00 61.69 61.95 2kb3 s THR 69 Cb -0.17 -4.00 -0.01 0.00 1.34 0.00 0.00 72.50 69.66 2kb3 s THR 69 CO -0.05 0.44 -0.22 0.00 -0.54 0.00 0.00 174.62 174.25 2kb3 s ALA 70 N -0.44 2.28 0.00 3.99 0.00 0.44 -2.49 121.76 125.54 2kb3 s ALA 70 Ca 0.33 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2kb3 s ALA 70 Cb -0.20 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.14 2kb3 s ALA 70 CO 0.20 0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.77 2kb3 n GLY 71 N 3.00 1.41 3.62 0.00 0.00 -0.91 -2.39 105.19 109.91 2kb3 n GLY 71 Ca -0.18 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 2kb3 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb3 s ARG 72 N -1.20 4.02 0.00 1.61 3.52 0.50 -4.18 118.95 123.23 2kb3 s ARG 72 Ca 0.00 0.72 0.00 0.00 -0.13 0.00 0.00 55.73 56.32 2kb3 s ARG 72 Cb 0.00 -3.71 0.00 0.00 -1.56 0.00 0.00 34.95 29.68 2kb3 s ARG 72 CO 0.00 -0.67 0.00 1.58 -0.81 0.00 0.00 175.30 175.40 2kb3 n HIS 73 N 6.24 0.00 0.22 5.12 -0.00 -1.26 -4.05 115.22 121.49 2kb3 n HIS 73 Ca 0.05 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.36 2kb3 n HIS 73 Cb 0.48 0.00 0.68 0.00 -0.12 0.00 0.00 29.99 31.03 2kb3 n HIS 73 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2kb3 h PRO 74 N 0.00 0.00 -0.36 1.57 0.11 -1.96 -1.55 132.00 129.80 2kb3 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kb3 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kb3 h PRO 74 CO 0.00 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 176.94 2kb3 n GLU 75 N -2.40 2.31 -3.69 1.05 0.28 -1.26 -4.91 120.64 112.01 2kb3 n GLU 75 Ca -0.01 -2.09 -0.36 0.00 -0.16 0.00 0.00 57.16 54.54 2kb3 n GLU 75 Cb 0.07 -1.40 -0.10 0.00 1.43 0.00 0.00 31.44 31.44 2kb3 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kb3 s SER 76 N -1.19 6.03 0.06 -1.84 0.01 -0.59 -4.72 113.70 111.46 2kb3 s SER 76 Ca 0.31 0.09 -0.22 0.00 1.31 0.00 0.00 55.95 57.45 2kb3 s SER 76 Cb 0.18 -2.09 -0.14 0.00 0.21 0.00 0.00 66.02 64.19 2kb3 s SER 76 CO 0.24 0.07 1.52 -0.78 0.41 0.00 0.00 173.24 174.71 2kb3 h ASP 77 N 7.48 0.16 -3.34 2.44 3.58 -1.79 -3.43 116.42 121.52 2kb3 h ASP 77 Ca -0.38 -0.26 -0.67 0.00 0.42 0.00 0.00 57.03 56.15 2kb3 h ASP 77 Cb 1.17 -0.04 -0.29 0.00 1.72 0.00 0.00 39.33 41.89 2kb3 h ASP 77 CO 0.66 0.37 -0.81 0.27 -2.88 0.00 0.00 179.24 176.85 2kb3 s ILE 78 N -5.18 2.71 0.02 2.25 -5.25 -1.17 -5.07 121.20 109.51 2kb3 s ILE 78 Ca -0.14 -0.79 0.09 0.00 -0.99 0.00 0.00 60.65 58.82 2kb3 s ILE 78 Cb 0.05 -2.10 -0.03 0.00 2.95 0.00 0.00 42.46 43.33 2kb3 s ILE 78 CO 0.69 0.54 -0.26 0.72 -1.79 0.00 0.00 174.94 174.84 2kb3 s PHE 79 N 0.33 2.32 -0.08 1.37 -0.12 -1.26 -2.15 117.98 118.39 2kb3 s PHE 79 Ca -0.13 -0.42 -0.02 0.00 -0.05 0.00 0.00 56.93 56.31 2kb3 s PHE 79 Cb -0.17 -1.42 -0.03 0.00 -0.63 0.00 0.00 43.02 40.77 2kb3 s PHE 79 CO 0.07 0.07 0.01 -0.51 -0.05 0.00 0.00 175.22 174.81 2kb3 s LEU 80 N -1.04 3.64 -0.32 -1.99 1.43 -1.26 -4.94 118.68 114.19 2kb3 s LEU 80 Ca 0.11 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.17 2kb3 s LEU 80 Cb -0.10 -1.86 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2kb3 s LEU 80 CO 0.01 0.37 0.59 -0.62 0.23 0.00 0.00 176.35 176.93 2kb3 s ASP 81 N -0.96 6.43 0.33 2.29 2.15 -1.26 -4.61 116.67 121.04 2kb3 s ASP 81 Ca 0.14 0.26 0.09 0.00 0.43 0.00 0.00 52.55 53.47 2kb3 s ASP 81 Cb -0.11 -2.31 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 2kb3 s ASP 81 CO 0.03 -0.49 0.00 -0.62 -0.17 0.00 0.00 175.17 173.93 2kb3 s ASP 82 N 1.70 4.18 0.21 -0.34 -1.08 -1.26 -4.28 116.67 115.79 2kb3 s ASP 82 Ca 0.23 -0.97 0.05 0.00 -0.52 0.00 0.00 52.55 51.34 2kb3 s ASP 82 Cb -0.15 -0.54 0.14 0.00 -1.46 0.00 0.00 42.92 40.91 2kb3 s ASP 82 CO 0.13 -0.21 1.48 0.58 0.52 0.00 0.00 175.17 177.66 2kb3 h VAL 83 N 1.83 1.47 -1.48 1.11 2.07 -1.95 -3.44 116.25 115.85 2kb3 h VAL 83 Ca -0.43 -2.37 -0.59 0.00 0.82 0.00 0.00 66.70 64.13 2kb3 h VAL 83 Cb 1.25 2.28 -0.10 0.00 -1.52 0.00 0.00 31.29 33.21 2kb3 h VAL 83 CO 0.66 0.69 -0.51 -0.89 0.02 0.00 0.00 177.57 177.54 2kb3 s THR 84 N -3.43 2.14 -0.66 2.57 2.01 -1.26 -5.07 115.64 111.93 2kb3 s THR 84 Ca -0.02 -1.77 -0.20 0.00 0.31 0.00 0.00 61.69 60.01 2kb3 s THR 84 Cb 0.11 -2.91 0.10 0.00 0.01 0.00 0.00 72.50 69.82 2kb3 s THR 84 CO 0.80 0.00 0.83 -0.69 -0.69 0.00 0.00 174.62 174.87 2kb3 s VAL 85 N -2.65 4.70 -0.81 3.82 1.01 -1.26 -4.97 120.40 120.24 2kb3 s VAL 85 Ca 0.37 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 2kb3 s VAL 85 Cb 0.05 -4.58 0.18 0.00 0.00 0.00 0.00 36.38 32.03 2kb3 s VAL 85 CO 0.20 -1.26 0.83 -0.94 0.00 0.00 0.00 175.10 173.93 2kb3 s SER 86 N 3.59 6.64 -0.07 3.32 1.04 -1.26 -4.50 113.70 122.45 2kb3 s SER 86 Ca 0.17 -2.36 -0.22 0.00 0.48 0.00 0.00 55.95 54.02 2kb3 s SER 86 Cb -0.19 -2.26 -0.30 0.00 0.10 0.00 0.00 66.02 63.37 2kb3 s SER 86 CO 0.05 -0.76 0.79 0.08 0.98 0.00 0.00 173.24 174.39 2kb3 h ARG 87 N 8.23 0.24 -3.05 4.02 0.11 -1.88 0.14 114.38 122.20 2kb3 h ARG 87 Ca 0.05 -0.42 -0.62 0.00 0.10 0.00 0.00 59.98 59.10 2kb3 h ARG 87 Cb 1.05 0.16 -0.40 0.00 1.11 0.00 0.00 29.97 31.88 2kb3 h ARG 87 CO 0.89 1.20 -0.70 0.50 0.10 0.00 0.00 179.97 181.95 2kb3 s ARG 88 N -2.41 1.60 -0.25 0.08 6.06 -1.26 -2.88 118.95 119.88 2kb3 s ARG 88 Ca -0.16 -2.36 -0.15 0.00 -2.50 0.00 0.00 55.73 50.56 2kb3 s ARG 88 Cb 0.01 -2.66 -0.10 0.00 0.06 0.00 0.00 34.95 32.25 2kb3 s ARG 88 CO 0.79 -1.19 -0.35 1.58 -2.50 0.00 0.00 175.30 173.64 2kb3 n HIS 89 N 3.15 0.00 -3.91 5.12 -0.00 -1.01 -3.36 115.22 115.21 2kb3 n HIS 89 Ca 0.11 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.74 2kb3 n HIS 89 Cb 0.35 -0.87 -0.07 0.00 -0.00 0.00 0.00 29.99 29.40 2kb3 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb3 s ALA 90 N -2.60 -0.11 -0.02 1.57 0.00 -1.04 -0.68 121.76 118.88 2kb3 s ALA 90 Ca -0.36 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2kb3 s ALA 90 Cb 0.12 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.96 2kb3 s ALA 90 CO 0.47 -0.59 -0.03 -1.83 0.00 0.00 0.00 175.76 173.78 2kb3 s GLU 91 N -3.92 0.46 -0.20 0.00 -1.05 0.55 -0.42 118.70 114.11 2kb3 s GLU 91 Ca 0.12 -0.06 -0.03 0.00 -0.15 0.00 0.00 54.97 54.85 2kb3 s GLU 91 Cb 0.04 -0.52 -0.01 0.00 -0.44 0.00 0.00 34.13 33.20 2kb3 s GLU 91 CO -0.05 -0.03 -0.06 -0.06 0.95 0.00 0.00 175.26 176.01 2kb3 s PHE 92 N 0.55 2.94 -0.27 4.83 0.40 0.65 -0.61 117.98 126.47 2kb3 s PHE 92 Ca -0.06 -0.86 -0.09 0.00 -0.60 0.00 0.00 56.93 55.32 2kb3 s PHE 92 Cb -0.09 -2.05 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 2kb3 s PHE 92 CO -0.01 -0.46 0.13 1.03 0.70 0.00 0.00 175.22 176.61 2kb3 s ARG 93 N 1.21 3.74 -0.34 0.44 0.52 0.79 -0.15 118.95 125.16 2kb3 s ARG 93 Ca 0.02 -0.44 -0.08 0.00 -0.52 0.00 0.00 55.73 54.71 2kb3 s ARG 93 Cb -0.14 -3.49 0.02 0.00 0.52 0.00 0.00 34.95 31.86 2kb3 s ARG 93 CO -0.02 -0.21 0.14 0.42 0.02 0.00 0.00 175.30 175.65 2kb3 s ILE 94 N 1.67 4.16 -0.10 1.52 1.09 0.09 -0.26 121.20 129.38 2kb3 s ILE 94 Ca 0.06 -0.87 -0.02 0.00 -1.10 0.00 0.00 60.65 58.73 2kb3 s ILE 94 Cb -0.16 -3.27 0.04 0.00 -1.06 0.00 0.00 42.46 38.01 2kb3 s ILE 94 CO 0.07 -0.11 0.01 0.21 -0.10 0.00 0.00 174.94 175.02 2kb3 s ASN 95 N 1.50 1.85 -1.57 3.58 3.84 0.68 -4.02 114.94 120.79 2kb3 s ASN 95 Ca 0.01 -0.24 -0.15 0.00 0.21 0.00 0.00 52.86 52.69 2kb3 s ASN 95 Cb -0.19 -0.45 0.10 0.00 -0.55 0.00 0.00 41.25 40.17 2kb3 s ASN 95 CO 0.04 -0.22 0.93 -0.62 -2.79 0.00 0.00 177.10 174.44 2kb3 n GLU 96 N 5.14 -4.93 -0.29 0.43 1.02 -1.26 -0.67 120.64 120.07 2kb3 n GLU 96 Ca -0.07 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2kb3 n GLU 96 Cb 0.49 -5.40 0.00 0.00 -0.02 0.00 0.00 31.44 26.51 2kb3 n GLU 96 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kb3 n GLY 97 N -1.61 1.49 3.85 0.62 0.00 -1.26 -5.04 105.19 103.26 2kb3 n GLY 97 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2kb3 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb3 s GLU 98 N -0.33 3.19 -0.18 1.61 2.02 0.15 -4.73 118.70 120.43 2kb3 s GLU 98 Ca 0.00 -0.55 0.01 0.00 0.02 0.00 0.00 54.97 54.44 2kb3 s GLU 98 Cb 0.00 -2.90 0.03 0.00 0.10 0.00 0.00 34.13 31.36 2kb3 s GLU 98 CO 0.00 0.59 -0.13 -0.06 0.02 0.00 0.00 175.26 175.68 2kb3 s PHE 99 N -1.45 2.35 -0.17 1.61 0.08 -1.26 -0.23 117.98 118.90 2kb3 s PHE 99 Ca 0.32 -1.44 -0.04 0.00 0.12 0.00 0.00 56.93 55.89 2kb3 s PHE 99 Cb -0.13 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 2kb3 s PHE 99 CO 0.25 -0.72 -0.03 -1.21 -0.10 0.00 0.00 175.22 173.41 2kb3 s GLU 100 N 1.42 3.60 -0.21 0.44 2.02 0.64 -1.45 118.70 125.16 2kb3 s GLU 100 Ca 0.02 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.42 2kb3 s GLU 100 Cb -0.14 -2.96 -0.02 0.00 0.10 0.00 0.00 34.13 31.11 2kb3 s GLU 100 CO -0.10 0.12 -0.02 0.08 0.02 0.00 0.00 175.26 175.36 2kb3 s VAL 101 N 0.69 3.72 -0.09 2.63 1.01 0.60 -0.15 120.40 128.82 2kb3 s VAL 101 Ca -0.02 -0.39 0.05 0.00 0.00 0.00 0.00 61.98 61.62 2kb3 s VAL 101 Cb -0.14 -2.69 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 2kb3 s VAL 101 CO 0.02 0.42 -0.24 -0.69 0.00 0.00 0.00 175.10 174.61 2kb3 s VAL 102 N 1.18 2.06 -0.05 2.92 1.01 0.22 -0.92 120.40 126.82 2kb3 s VAL 102 Ca 0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 2kb3 s VAL 102 Cb -0.15 -1.77 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2kb3 s VAL 102 CO 0.00 0.56 0.66 -0.62 0.00 0.00 0.00 175.10 175.71 2kb3 s ASP 103 N 0.21 6.96 -0.01 3.32 2.15 0.13 -0.33 116.67 129.10 2kb3 s ASP 103 Ca -0.15 1.16 0.01 0.00 0.43 0.00 0.00 52.55 54.00 2kb3 s ASP 103 Cb -0.17 -2.39 0.02 0.00 -0.30 0.00 0.00 42.92 40.08 2kb3 s ASP 103 CO 0.08 -0.06 0.81 1.33 -0.17 0.00 0.00 175.17 177.16 2kb3 n VAL 104 N 3.53 0.60 -2.71 1.11 0.24 0.14 -4.85 118.33 116.39 2kb3 n VAL 104 Ca -0.03 -0.63 -0.07 0.00 -2.04 0.00 0.00 64.34 61.57 2kb3 n VAL 104 Cb 0.51 0.65 0.10 0.00 -1.47 0.00 0.00 33.84 33.63 2kb3 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb3 n GLY 105 N -0.34 -0.02 3.17 7.63 0.00 -0.31 -4.75 105.19 110.57 2kb3 n GLY 105 Ca 0.01 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 2kb3 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kb3 n SER 106 N 0.38 4.48 -0.02 1.61 2.88 -1.26 -4.04 113.62 117.65 2kb3 n SER 106 Ca 0.02 -2.89 0.05 0.00 -1.33 0.00 0.00 58.87 54.72 2kb3 n SER 106 Cb 0.72 -1.69 -0.12 0.00 -0.75 0.00 0.00 64.21 62.37 2kb3 n SER 106 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kb3 n LEU 107 N 7.08 0.00 -0.94 2.46 7.99 -1.26 -4.47 117.00 127.86 2kb3 n LEU 107 Ca 0.49 0.00 0.10 0.00 -0.01 0.00 0.00 56.01 56.60 2kb3 n LEU 107 Cb 0.42 0.07 0.15 0.00 -0.11 0.00 0.00 43.42 43.95 2kb3 n LEU 107 CO 0.82 0.07 0.63 0.59 -1.51 0.00 0.00 177.39 177.99 2kb3 n ASN 108 N -2.14 3.03 -1.22 -1.43 4.13 -1.26 -0.71 115.26 115.68 2kb3 n ASN 108 Ca -0.07 -1.90 0.00 0.00 1.68 0.00 0.00 54.58 54.29 2kb3 n ASN 108 Cb 0.51 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.62 2kb3 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb3 n GLY 109 N 1.23 -0.34 3.71 7.41 0.00 -1.26 -2.73 105.19 113.21 2kb3 n GLY 109 Ca 0.15 -0.24 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 2kb3 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb3 s THR 110 N -1.35 5.04 -0.00 2.61 2.01 -1.26 -2.78 115.64 119.90 2kb3 s THR 110 Ca 0.00 1.41 0.02 0.00 0.31 0.00 0.00 61.69 63.43 2kb3 s THR 110 Cb 0.00 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.48 2kb3 s THR 110 CO 0.00 0.23 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.79 2kb3 s TYR 111 N 1.00 0.51 -0.22 4.92 2.02 0.88 -4.33 117.35 122.13 2kb3 s TYR 111 Ca 0.36 -0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.92 2kb3 s TYR 111 Cb -0.17 -0.33 -0.00 0.00 -0.40 0.00 0.00 41.96 41.06 2kb3 s TYR 111 CO 0.17 -0.01 -0.05 0.08 -1.57 0.00 0.00 175.55 174.17 2kb3 s VAL 112 N -0.16 3.29 -1.47 0.71 1.01 0.11 -0.08 120.40 123.80 2kb3 s VAL 112 Ca 0.02 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.38 2kb3 s VAL 112 Cb -0.02 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.88 2kb3 s VAL 112 CO -0.00 0.41 0.76 0.59 0.00 0.00 0.00 175.10 176.86 2kb3 n ASN 113 N 4.78 -5.65 -0.67 3.32 5.03 0.51 -1.45 115.26 121.12 2kb3 n ASN 113 Ca -0.18 -0.42 -0.09 0.00 0.87 0.00 0.00 54.58 54.76 2kb3 n ASN 113 Cb 0.51 -4.54 -0.04 0.00 -1.02 0.00 0.00 39.78 34.69 2kb3 n ASN 113 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2kb3 n ARG 114 N -4.28 -1.70 -4.31 3.52 1.74 -1.26 -4.89 116.66 105.48 2kb3 n ARG 114 Ca -0.05 0.80 -0.34 0.00 -0.77 0.00 0.00 57.85 57.49 2kb3 n ARG 114 Cb 0.58 -5.21 -0.09 0.00 -1.02 0.00 0.00 32.46 26.73 2kb3 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb3 s GLU 115 N -2.70 2.91 -0.01 5.56 0.41 -0.53 -4.67 118.70 119.66 2kb3 s GLU 115 Ca 0.00 -0.50 -0.30 0.00 -0.41 0.00 0.00 54.97 53.76 2kb3 s GLU 115 Cb 0.00 -2.75 -0.06 0.00 -1.78 0.00 0.00 34.13 29.54 2kb3 s GLU 115 CO 0.00 0.67 1.55 -1.25 -0.49 0.00 0.00 175.26 175.74 2kb3 s PRO 116 N -1.25 4.22 -0.09 0.39 0.04 -1.26 0.04 135.00 137.10 2kb3 s PRO 116 Ca 0.17 2.12 -0.08 0.00 0.04 0.00 0.00 61.00 63.25 2kb3 s PRO 116 Cb -0.11 -3.74 0.02 0.00 0.04 0.00 0.00 34.50 30.71 2kb3 s PRO 116 CO 0.07 -0.72 0.23 0.50 0.04 0.00 0.00 177.00 177.11 2kb3 s ARG 117 N 3.12 0.27 -0.21 4.56 6.06 -1.26 -4.90 118.95 126.59 2kb3 s ARG 117 Ca 0.69 0.32 -0.04 0.00 -2.50 0.00 0.00 55.73 54.20 2kb3 s ARG 117 Cb -0.34 0.13 -0.20 0.00 0.06 0.00 0.00 34.95 34.60 2kb3 s ARG 117 CO 0.28 -0.03 0.01 0.09 -2.50 0.00 0.00 175.30 173.15 2kb3 n ASN 118 N 2.95 2.03 -3.83 -2.12 4.13 -1.26 -4.64 115.26 112.52 2kb3 n ASN 118 Ca -0.13 0.06 -0.13 0.00 1.68 0.00 0.00 54.58 56.07 2kb3 n ASN 118 Cb 0.58 -0.65 -0.14 0.00 -1.54 0.00 0.00 39.78 38.03 2kb3 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb3 s ALA 119 N -2.52 -0.01 -0.14 5.41 0.00 -1.26 0.18 121.76 123.41 2kb3 s ALA 119 Ca -0.30 0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2kb3 s ALA 119 Cb 0.08 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 23.14 2kb3 s ALA 119 CO 0.65 -0.04 0.43 -1.14 0.00 0.00 0.00 175.76 175.66 2kb3 s GLN 120 N 0.35 0.56 -0.36 0.00 -0.44 -0.09 -5.01 119.66 114.67 2kb3 s GLN 120 Ca -0.03 0.48 -0.24 0.00 -2.50 0.00 0.00 55.36 53.07 2kb3 s GLN 120 Cb -0.04 0.27 0.01 0.00 -1.64 0.00 0.00 33.01 31.61 2kb3 s GLN 120 CO -0.01 -0.09 0.80 0.08 0.50 0.00 0.00 175.29 176.57 2kb3 s VAL 121 N -0.06 4.72 0.14 1.34 1.01 -1.26 -0.29 120.40 126.00 2kb3 s VAL 121 Ca -0.02 0.96 -0.07 0.00 0.00 0.00 0.00 61.98 62.85 2kb3 s VAL 121 Cb -0.03 -4.22 -0.06 0.00 0.00 0.00 0.00 36.38 32.07 2kb3 s VAL 121 CO 0.02 -0.42 0.41 -0.32 0.00 0.00 0.00 175.10 174.78 2kb3 s MET 122 N 3.13 3.68 0.20 2.72 1.75 -0.53 -4.97 119.30 125.29 2kb3 s MET 122 Ca 0.32 0.04 0.08 0.00 -1.25 0.00 0.00 55.69 54.88 2kb3 s MET 122 Cb -0.13 -2.85 -0.05 0.00 2.84 0.00 0.00 34.83 34.65 2kb3 s MET 122 CO 0.17 0.46 -0.16 -0.65 -0.65 0.00 0.00 175.02 174.19 2kb3 s GLN 123 N -2.51 1.33 0.08 4.11 -0.21 -1.26 -4.64 119.66 116.56 2kb3 s GLN 123 Ca 0.40 -1.54 -0.32 0.00 0.02 0.00 0.00 55.36 53.93 2kb3 s GLN 123 Cb -0.12 -1.23 -0.11 0.00 1.00 0.00 0.00 33.01 32.55 2kb3 s GLN 123 CO 0.22 0.22 1.83 2.41 -2.12 0.00 0.00 175.29 177.86 2kb3 n THR 124 N -0.16 0.41 -0.00 -0.19 -1.04 -1.26 -1.64 114.28 110.40 2kb3 n THR 124 Ca -0.10 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2kb3 n THR 124 Cb 0.59 -2.03 0.00 0.00 -1.82 0.00 0.00 70.33 67.07 2kb3 n THR 124 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kb3 n GLY 125 N 4.20 0.08 3.78 3.41 0.00 0.12 -3.77 105.19 113.02 2kb3 n GLY 125 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2kb3 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb3 s ASP 126 N -2.09 5.80 -0.03 1.61 -1.08 -0.65 -4.70 116.67 115.52 2kb3 s ASP 126 Ca 0.00 2.05 0.06 0.00 -0.52 0.00 0.00 52.55 54.14 2kb3 s ASP 126 Cb 0.00 -2.57 -0.01 0.00 -1.46 0.00 0.00 42.92 38.88 2kb3 s ASP 126 CO 0.00 -1.16 -0.20 -1.83 0.52 0.00 0.00 175.17 172.50 2kb3 s GLU 127 N -3.47 1.83 -0.19 4.34 -1.05 -1.26 -0.58 118.70 118.31 2kb3 s GLU 127 Ca 0.70 -0.71 -0.05 0.00 -0.15 0.00 0.00 54.97 54.75 2kb3 s GLU 127 Cb -0.21 -1.66 -0.03 0.00 -0.44 0.00 0.00 34.13 31.80 2kb3 s GLU 127 CO 0.28 0.36 0.00 0.42 0.95 0.00 0.00 175.26 177.28 2kb3 s ILE 128 N -0.25 4.06 -0.17 1.83 1.09 0.59 -0.37 121.20 127.99 2kb3 s ILE 128 Ca 0.02 -0.28 -0.04 0.00 -1.10 0.00 0.00 60.65 59.25 2kb3 s ILE 128 Cb -0.10 -2.82 -0.03 0.00 -1.06 0.00 0.00 42.46 38.45 2kb3 s ILE 128 CO 0.01 0.44 -0.03 -1.58 -0.10 0.00 0.00 174.94 173.68 2kb3 s GLN 129 N 0.82 3.66 -0.02 2.79 -0.44 0.88 -0.89 119.66 126.47 2kb3 s GLN 129 Ca 0.01 -0.52 0.03 0.00 -2.50 0.00 0.00 55.36 52.38 2kb3 s GLN 129 Cb -0.14 -2.95 -0.00 0.00 -1.64 0.00 0.00 33.01 28.27 2kb3 s GLN 129 CO 0.02 0.19 -0.11 0.42 0.50 0.00 0.00 175.29 176.31 2kb3 s ILE 130 N 0.51 0.86 -0.81 -2.34 1.01 -1.07 -0.08 121.20 119.28 2kb3 s ILE 130 Ca -0.03 -0.44 -0.24 0.00 0.00 0.00 0.00 60.65 59.94 2kb3 s ILE 130 Cb -0.14 -0.74 -0.18 0.00 0.01 0.00 0.00 42.46 41.41 2kb3 s ILE 130 CO 0.03 0.25 2.16 0.61 0.00 0.00 0.00 174.94 177.99 2kb3 n GLY 131 N 2.99 -0.40 2.11 6.18 0.00 -1.10 0.37 105.19 115.34 2kb3 n GLY 131 Ca -0.15 0.89 -0.01 0.00 0.00 0.00 0.00 46.02 46.74 2kb3 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb3 n LYS 132 N 6.75 -0.22 -4.32 1.61 5.02 -1.26 -4.95 118.16 120.79 2kb3 n LYS 132 Ca 0.54 0.28 -0.25 0.00 -2.02 0.00 0.00 58.31 56.85 2kb3 n LYS 132 Cb 0.03 -3.63 -0.12 0.00 -0.02 0.00 0.00 35.03 31.28 2kb3 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb3 s PHE 133 N -1.96 1.95 -0.06 2.13 0.40 0.16 -4.13 117.98 116.46 2kb3 s PHE 133 Ca 0.00 -0.41 -0.02 0.00 -0.60 0.00 0.00 56.93 55.90 2kb3 s PHE 133 Cb 0.00 -1.05 0.03 0.00 0.51 0.00 0.00 43.02 42.51 2kb3 s PHE 133 CO 0.00 0.26 0.02 1.03 0.70 0.00 0.00 175.22 177.24 2kb3 s ARG 134 N -2.06 0.36 -0.04 0.44 1.81 -0.46 -2.59 118.95 116.40 2kb3 s ARG 134 Ca 0.10 0.20 0.06 0.00 -1.72 0.00 0.00 55.73 54.36 2kb3 s ARG 134 Cb -0.10 -0.82 -0.01 0.00 -0.45 0.00 0.00 34.95 33.57 2kb3 s ARG 134 CO 0.05 -0.32 -0.21 -0.51 -0.68 0.00 0.00 175.30 173.63 2kb3 s LEU 135 N 2.04 2.00 -0.13 2.53 1.02 -0.07 0.15 118.68 126.23 2kb3 s LEU 135 Ca 0.05 -0.43 -0.00 0.00 0.02 0.00 0.00 54.13 53.77 2kb3 s LEU 135 Cb -0.12 -1.17 -0.02 0.00 0.02 0.00 0.00 46.19 44.90 2kb3 s LEU 135 CO -0.04 0.21 -0.12 -0.69 0.02 0.00 0.00 176.35 175.73 2kb3 s VAL 136 N -0.15 3.12 -0.14 -1.59 1.01 0.21 -0.30 120.40 122.57 2kb3 s VAL 136 Ca -0.02 -0.64 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 2kb3 s VAL 136 Cb -0.12 -2.31 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 2kb3 s VAL 136 CO 0.02 0.52 0.30 0.12 0.00 0.00 0.00 175.10 176.07 2kb3 s PHE 137 N 0.33 3.50 -0.02 5.22 5.36 0.25 -0.49 117.98 132.13 2kb3 s PHE 137 Ca -0.10 0.65 0.03 0.00 -0.96 0.00 0.00 56.93 56.54 2kb3 s PHE 137 Cb -0.16 -2.32 -0.00 0.00 -0.34 0.00 0.00 43.02 40.21 2kb3 s PHE 137 CO 0.05 0.31 -0.10 -0.51 -1.46 0.00 0.00 175.22 173.52 2kb3 s LEU 138 N 0.20 1.86 0.51 6.12 1.43 -0.10 0.13 118.68 128.84 2kb3 s LEU 138 Ca 0.18 -0.21 -0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2kb3 s LEU 138 Cb -0.13 -0.59 -0.08 0.00 0.03 0.00 0.00 46.19 45.42 2kb3 s LEU 138 CO 0.05 0.09 1.00 0.00 0.23 0.00 0.00 176.35 177.73 2kb3 s ALA 139 N 0.06 2.95 0.22 4.21 0.00 -1.26 -0.21 121.76 127.74 2kb3 s ALA 139 Ca -0.01 0.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.96 2kb3 s ALA 139 Cb -0.08 -3.17 -0.12 0.00 0.00 0.00 0.00 23.12 19.75 2kb3 s ALA 139 CO 0.00 -0.32 1.71 0.41 0.00 0.00 0.00 175.76 177.57 2kb3 n GLY 140 N -1.07 1.52 3.57 0.00 0.00 0.97 -4.67 105.19 105.51 2kb3 n GLY 140 Ca 0.08 0.60 -0.32 0.00 0.00 0.00 0.00 46.02 46.38 2kb3 n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb3 n PRO 141 N 3.76 -0.47 -0.94 1.61 -0.04 -1.26 -3.84 135.00 133.83 2kb3 n PRO 141 Ca 0.15 -0.08 -0.11 0.00 -0.04 0.00 0.00 63.50 63.42 2kb3 n PRO 141 Cb 0.35 -2.17 -0.14 0.00 -0.04 0.00 0.00 33.50 31.49 2kb3 n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb3 n ALA 142 N -4.04 6.05 1.77 0.55 0.00 -1.26 -4.15 120.51 119.43 2kb3 n ALA 142 Ca 0.10 -1.59 0.14 0.00 0.00 0.00 0.00 53.44 52.08 2kb3 n ALA 142 Cb 0.53 -2.13 0.84 0.00 0.00 0.00 0.00 19.45 18.69 2kb3 n ALA 142 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89