#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 1.08 -4.45 3.17 4.64 -2.12 -3.44 113.55 112.42 2kb4 h SER 2 Ca 0.00 -0.26 -0.31 0.00 -0.47 0.00 0.00 61.79 60.74 2kb4 h SER 2 Cb 0.00 -0.29 -0.24 0.00 -0.31 0.00 0.00 62.40 61.57 2kb4 h SER 2 CO 0.00 1.07 -0.75 1.51 -0.87 0.00 0.00 176.83 177.79 2kb4 s ASP 3 N -6.50 0.90 -0.54 4.97 -4.77 -1.26 -5.09 116.67 104.38 2kb4 s ASP 3 Ca -0.12 -0.41 0.04 0.00 -3.30 0.00 0.00 52.55 48.76 2kb4 s ASP 3 Cb 0.14 -0.01 0.14 0.00 -1.09 0.00 0.00 42.92 42.10 2kb4 s ASP 3 CO 0.85 -0.09 0.31 0.54 0.70 0.00 0.00 175.17 177.48 2kb4 s ASN 4 N -1.10 4.14 -0.22 2.11 2.20 -1.26 -5.06 114.94 115.75 2kb4 s ASN 4 Ca -0.05 -3.12 -0.03 0.00 -0.94 0.00 0.00 52.86 48.71 2kb4 s ASN 4 Cb -0.07 -1.44 -0.00 0.00 -2.00 0.00 0.00 41.25 37.74 2kb4 s ASN 4 CO 0.00 -0.20 -0.05 0.20 -2.94 0.00 0.00 177.10 174.11 2kb4 s ASN 5 N -0.40 4.21 0.00 3.54 -0.87 -1.26 -5.00 114.94 115.16 2kb4 s ASN 5 Ca 0.20 -0.45 0.00 0.00 -1.57 0.00 0.00 52.86 51.04 2kb4 s ASN 5 Cb -0.19 -1.71 0.00 0.00 -0.02 0.00 0.00 41.25 39.32 2kb4 s ASN 5 CO -0.05 -0.03 0.00 0.61 -2.57 0.00 0.00 177.10 175.06 2kb4 n GLY 6 N 4.78 2.44 3.68 0.66 0.00 -1.26 -5.12 105.19 110.37 2kb4 n GLY 6 Ca -0.18 0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 7 N 0.00 4.85 0.14 2.61 2.01 -1.26 -5.00 115.64 118.99 2kb4 s THR 7 Ca 0.00 1.80 -0.33 0.00 0.31 0.00 0.00 61.69 63.47 2kb4 s THR 7 Cb 0.00 -4.21 -0.13 0.00 0.01 0.00 0.00 72.50 68.18 2kb4 s THR 7 CO 0.00 0.03 1.69 -2.65 -0.69 0.00 0.00 174.62 173.00 2kb4 n PRO 8 N 5.05 2.42 -2.43 4.92 -0.02 -1.26 -4.90 135.00 138.77 2kb4 n PRO 8 Ca 0.06 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.99 2kb4 n PRO 8 Cb 0.49 -2.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.25 2kb4 n PRO 8 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2kb4 s GLU 9 N 1.65 4.24 -0.03 -0.52 2.02 -1.26 -5.00 118.70 119.80 2kb4 s GLU 9 Ca 0.80 1.65 -0.28 0.00 0.02 0.00 0.00 54.97 57.17 2kb4 s GLU 9 Cb -0.60 -3.75 -0.03 0.00 0.10 0.00 0.00 34.13 29.84 2kb4 s GLU 9 CO 0.38 -0.69 0.89 -1.25 0.02 0.00 0.00 175.26 174.61 2kb4 s PRO 10 N 3.43 4.51 -0.26 0.39 0.05 -1.26 -5.02 135.00 136.83 2kb4 s PRO 10 Ca 0.54 1.24 -0.21 0.00 0.05 0.00 0.00 61.00 62.63 2kb4 s PRO 10 Cb -0.22 -3.46 -0.02 0.00 0.05 0.00 0.00 34.50 30.85 2kb4 s PRO 10 CO 0.15 -0.04 0.65 -1.14 0.05 0.00 0.00 177.00 176.67 2kb4 s GLN 11 N 1.03 4.09 0.52 4.56 0.74 -1.26 -5.04 119.66 124.30 2kb4 s GLN 11 Ca 0.47 0.55 -0.01 0.00 0.05 0.00 0.00 55.36 56.43 2kb4 s GLN 11 Cb -0.20 -3.66 0.02 0.00 1.10 0.00 0.00 33.01 30.27 2kb4 s GLN 11 CO 0.24 -0.45 0.76 0.14 -0.55 0.00 0.00 175.29 175.43 2kb4 s VAL 12 N 2.56 3.37 -0.04 1.34 -7.23 -1.26 -5.09 120.40 114.06 2kb4 s VAL 12 Ca 0.27 -0.47 -0.10 0.00 -1.81 0.00 0.00 61.98 59.87 2kb4 s VAL 12 Cb -0.15 -3.27 -0.05 0.00 0.56 0.00 0.00 36.38 33.46 2kb4 s VAL 12 CO 0.09 -0.21 0.29 -1.83 -0.31 0.00 0.00 175.10 173.12 2kb4 s GLU 13 N -4.73 3.68 -0.32 4.82 1.03 -1.26 -5.07 118.70 116.84 2kb4 s GLU 13 Ca 0.53 0.12 0.04 0.00 0.03 0.00 0.00 54.97 55.69 2kb4 s GLU 13 Cb -0.10 -3.17 0.09 0.00 -0.80 0.00 0.00 34.13 30.15 2kb4 s GLU 13 CO 0.39 0.71 0.01 0.99 -1.33 0.00 0.00 175.26 176.04 2kb4 s THR 14 N -1.12 2.25 0.00 1.83 2.01 -1.26 -5.06 115.64 114.29 2kb4 s THR 14 Ca 0.22 -2.18 0.07 0.00 0.31 0.00 0.00 61.69 60.11 2kb4 s THR 14 Cb -0.14 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.76 2kb4 s THR 14 CO 0.11 -0.47 -0.21 -0.89 -0.69 0.00 0.00 174.62 172.47 2kb4 s THR 15 N 0.95 1.68 0.04 -0.82 2.01 -1.26 -5.13 115.64 113.10 2kb4 s THR 15 Ca 0.06 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.10 2kb4 s THR 15 Cb -0.19 -1.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.88 2kb4 s THR 15 CO -0.07 0.39 -0.12 -0.55 -0.69 0.00 0.00 174.62 173.58 2kb4 s SER 16 N -0.71 1.36 0.11 3.53 0.15 -1.26 -5.12 113.70 111.75 2kb4 s SER 16 Ca 0.08 -0.45 -0.23 0.00 0.70 0.00 0.00 55.95 56.05 2kb4 s SER 16 Cb -0.08 -0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2kb4 s SER 16 CO 0.00 -0.03 0.70 0.68 1.20 0.00 0.00 173.24 175.79 2kb4 s VAL 17 N -0.92 4.57 0.39 4.45 -7.23 -1.26 -5.06 120.40 115.34 2kb4 s VAL 17 Ca -0.01 1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.57 2kb4 s VAL 17 Cb -0.08 -4.05 -0.06 0.00 0.56 0.00 0.00 36.38 32.75 2kb4 s VAL 17 CO 0.01 0.50 0.75 0.72 -0.31 0.00 0.00 175.10 176.77 2kb4 s PHE 18 N -0.92 3.47 -0.43 2.82 -0.12 -1.26 -5.02 117.98 116.51 2kb4 s PHE 18 Ca 0.34 1.01 -0.21 0.00 -0.05 0.00 0.00 56.93 58.01 2kb4 s PHE 18 Cb -0.21 -2.41 0.02 0.00 -0.63 0.00 0.00 43.02 39.79 2kb4 s PHE 18 CO 0.23 -0.07 0.68 1.03 -0.05 0.00 0.00 175.22 177.03 2kb4 s ARG 19 N -3.79 3.34 -0.84 1.99 1.81 -1.26 -4.98 118.95 115.21 2kb4 s ARG 19 Ca 0.51 -0.28 -0.23 0.00 -1.72 0.00 0.00 55.73 54.01 2kb4 s ARG 19 Cb -0.10 -3.94 0.06 0.00 -0.45 0.00 0.00 34.95 30.52 2kb4 s ARG 19 CO 0.31 -1.01 1.23 0.00 -0.68 0.00 0.00 175.30 175.15 2kb4 s ALA 20 N 2.92 2.93 0.05 2.13 0.00 -1.26 -4.75 121.76 123.78 2kb4 s ALA 20 Ca 0.24 -2.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.20 2kb4 s ALA 20 Cb -0.14 -4.22 -0.26 0.00 0.00 0.00 0.00 23.12 18.51 2kb4 s ALA 20 CO 0.19 -3.22 1.04 0.22 0.00 0.00 0.00 175.76 174.00 2kb4 h ASP 21 N 9.64 0.28 -4.83 0.00 3.58 -2.06 -3.49 116.42 119.54 2kb4 h ASP 21 Ca -0.05 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.05 2kb4 h ASP 21 Cb 1.04 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.99 2kb4 h ASP 21 CO 1.27 1.28 -0.89 -0.11 -2.88 0.00 0.00 179.24 177.91 2kb4 n LEU 22 N -3.43 -7.10 -4.63 2.28 7.94 -1.26 -4.91 117.00 105.90 2kb4 n LEU 22 Ca -0.10 1.30 -0.43 0.00 -1.11 0.00 0.00 56.01 55.67 2kb4 n LEU 22 Cb 1.01 -3.03 -0.02 0.00 0.53 0.00 0.00 43.42 41.91 2kb4 n LEU 22 CO 0.50 -2.84 1.10 -0.76 -1.11 0.00 0.00 177.39 174.29 2kb4 s LEU 23 N -1.35 3.85 0.71 -1.96 1.02 -1.26 -4.99 118.68 114.70 2kb4 s LEU 23 Ca -0.02 1.11 -0.12 0.00 0.02 0.00 0.00 54.13 55.12 2kb4 s LEU 23 Cb 0.00 -3.54 0.02 0.00 0.02 0.00 0.00 46.19 42.69 2kb4 s LEU 23 CO 0.68 -1.08 1.07 -0.54 0.02 0.00 0.00 176.35 176.50 2kb4 s LYS 24 N 4.15 2.75 0.48 1.70 3.01 -1.26 -5.07 119.74 125.50 2kb4 s LYS 24 Ca 0.54 1.09 0.07 0.00 -1.01 0.00 0.00 55.97 56.65 2kb4 s LYS 24 Cb -0.15 -1.96 0.00 0.00 -1.01 0.00 0.00 37.83 34.71 2kb4 s LYS 24 CO 0.23 -1.25 0.37 -1.83 0.51 0.00 0.00 175.35 173.38 2kb4 s GLU 25 N -4.81 2.35 -0.07 1.68 4.04 -1.26 -5.13 118.70 115.49 2kb4 s GLU 25 Ca 0.60 -1.81 -0.00 0.00 0.04 0.00 0.00 54.97 53.80 2kb4 s GLU 25 Cb -0.16 -2.19 0.03 0.00 0.02 0.00 0.00 34.13 31.82 2kb4 s GLU 25 CO 0.52 -0.39 -0.03 1.41 -1.84 0.00 0.00 175.26 174.94 2kb4 s MET 26 N -4.17 0.83 0.70 -4.83 1.75 -1.26 -5.14 119.30 107.18 2kb4 s MET 26 Ca 0.41 -0.01 0.00 0.00 -1.25 0.00 0.00 55.69 54.84 2kb4 s MET 26 Cb -0.02 -1.04 0.12 0.00 2.84 0.00 0.00 34.83 36.74 2kb4 s MET 26 CO 0.24 -0.23 0.97 -1.83 -0.65 0.00 0.00 175.02 173.52 2kb4 s GLU 27 N 1.62 1.75 -0.09 4.11 4.04 -1.26 -5.12 118.70 123.75 2kb4 s GLU 27 Ca 0.00 -1.17 -0.05 0.00 0.04 0.00 0.00 54.97 53.79 2kb4 s GLU 27 Cb -0.13 -2.37 0.04 0.00 0.02 0.00 0.00 34.13 31.70 2kb4 s GLU 27 CO -0.04 -1.38 0.22 0.45 -1.84 0.00 0.00 175.26 172.67 2kb4 s SER 28 N -4.73 -0.21 0.19 0.83 0.15 -1.26 -5.13 113.70 103.54 2kb4 s SER 28 Ca 0.66 0.46 -0.30 0.00 0.70 0.00 0.00 55.95 57.47 2kb4 s SER 28 Cb -0.05 0.35 -0.08 0.00 -1.71 0.00 0.00 66.02 64.52 2kb4 s SER 28 CO 0.44 -0.16 1.26 -0.55 1.20 0.00 0.00 173.24 175.43 2kb4 s SER 29 N 1.25 6.97 0.12 5.45 0.15 -1.26 -5.03 113.70 121.36 2kb4 s SER 29 Ca -0.09 2.33 0.04 0.00 0.70 0.00 0.00 55.95 58.93 2kb4 s SER 29 Cb -0.11 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.55 2kb4 s SER 29 CO -0.08 -0.46 -0.10 0.28 1.20 0.00 0.00 173.24 174.07 2kb4 s THR 30 N 0.06 1.07 -1.11 6.45 -1.32 -1.26 -5.06 115.64 114.47 2kb4 s THR 30 Ca 0.55 -1.85 -0.22 0.00 -1.21 0.00 0.00 61.69 58.96 2kb4 s THR 30 Cb -0.35 -1.61 0.01 0.00 -1.51 0.00 0.00 72.50 69.04 2kb4 s THR 30 CO 0.37 -0.65 1.73 -0.83 -2.21 0.00 0.00 174.62 173.04 2kb4 s GLY 31 N -2.80 0.94 0.56 6.08 0.00 -1.26 -4.96 107.32 105.89 2kb4 s GLY 31 Ca 0.11 -2.29 -0.10 0.00 0.00 0.00 0.00 44.72 42.44 2kb4 s GLY 31 CO 0.00 3.03 0.95 -1.08 0.00 0.00 0.00 173.10 176.01 2kb4 s THR 32 N 6.96 4.74 -0.09 0.90 -1.32 -1.26 -5.04 115.64 120.53 2kb4 s THR 32 Ca 0.58 0.75 -0.23 0.00 -1.21 0.00 0.00 61.69 61.58 2kb4 s THR 32 Cb -0.00 -3.84 -0.04 0.00 -1.51 0.00 0.00 72.50 67.11 2kb4 s THR 32 CO 0.02 -0.98 0.68 0.00 -2.21 0.00 0.00 174.62 172.12 2kb4 s ALA 33 N -2.96 3.37 0.67 11.08 0.00 -1.26 -5.05 121.76 127.61 2kb4 s ALA 33 Ca 0.54 0.07 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 2kb4 s ALA 33 Cb -0.11 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.08 2kb4 s ALA 33 CO 0.48 -0.15 1.07 -1.25 0.00 0.00 0.00 175.76 175.91 2kb4 s PRO 34 N 0.93 2.91 -0.39 0.00 0.04 -1.26 -4.95 135.00 132.27 2kb4 s PRO 34 Ca 0.36 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 62.28 2kb4 s PRO 34 Cb -0.17 -1.98 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 2kb4 s PRO 34 CO 0.16 -1.14 1.57 0.00 0.04 0.00 0.00 177.00 177.64 2kb4 s ALA 35 N -2.68 2.94 0.52 8.56 0.00 -1.26 -4.98 121.76 124.86 2kb4 s ALA 35 Ca 0.62 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.45 2kb4 s ALA 35 Cb -0.17 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 2kb4 s ALA 35 CO 0.47 -2.56 0.89 0.45 0.00 0.00 0.00 175.76 175.00 2kb4 s SER 36 N 4.90 6.32 0.77 0.00 0.15 -1.26 -5.07 113.70 119.51 2kb4 s SER 36 Ca 0.68 1.18 -0.11 0.00 0.70 0.00 0.00 55.95 58.40 2kb4 s SER 36 Cb -0.17 -2.36 0.05 0.00 -1.71 0.00 0.00 66.02 61.84 2kb4 s SER 36 CO 0.32 -0.65 1.09 0.42 1.20 0.00 0.00 173.24 175.62 2kb4 s THR 37 N -2.83 3.26 -0.22 6.45 -4.23 -1.26 -5.06 115.64 111.75 2kb4 s THR 37 Ca 0.52 0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 61.41 2kb4 s THR 37 Cb -0.11 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.62 2kb4 s THR 37 CO 0.45 -0.53 0.05 -0.83 -0.54 0.00 0.00 174.62 173.21 2kb4 s GLY 38 N -3.94 0.75 0.23 3.99 0.00 -1.26 -4.98 107.32 102.11 2kb4 s GLY 38 Ca 0.60 -0.87 -0.07 0.00 0.00 0.00 0.00 44.72 44.38 2kb4 s GLY 38 CO 0.54 1.48 1.88 0.00 0.00 0.00 0.00 173.10 177.00 2kb4 h ALA 39 N 8.23 1.15 0.00 3.20 0.00 -1.97 -2.31 119.26 127.56 2kb4 h ALA 39 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 2kb4 h ALA 39 Cb 1.10 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kb4 h ALA 39 CO 0.36 0.61 0.00 -0.85 0.00 0.00 0.00 179.25 179.37 2kb4 n GLU 40 N -4.39 0.16 0.13 0.00 0.28 -1.26 -1.91 120.64 113.65 2kb4 n GLU 40 Ca 0.10 0.55 0.00 0.00 -0.16 0.00 0.00 57.16 57.64 2kb4 n GLU 40 Cb 0.06 -1.92 0.08 0.00 1.43 0.00 0.00 31.44 31.09 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 2kb4 h ASN 41 N 0.00 0.00 -3.53 -1.84 4.21 -1.84 -3.42 115.58 109.17 2kb4 h ASN 41 Ca 0.00 0.00 -0.60 0.00 1.21 0.00 0.00 56.30 56.91 2kb4 h ASN 41 Cb 0.15 0.00 -0.11 0.00 -1.12 0.00 0.00 38.32 37.25 2kb4 h ASN 41 CO 0.00 0.63 0.47 -0.76 -1.29 0.00 0.00 177.43 176.47 2kb4 s LEU 42 N -6.80 4.08 -0.01 1.61 2.01 -0.80 -4.95 118.68 113.81 2kb4 s LEU 42 Ca 0.02 0.40 -0.01 0.00 0.01 0.00 0.00 54.13 54.55 2kb4 s LEU 42 Cb 0.10 -3.12 -0.00 0.00 0.01 0.00 0.00 46.19 43.18 2kb4 s LEU 42 CO 0.75 -0.80 0.17 1.55 1.01 0.00 0.00 176.35 179.03 2kb4 h PRO 43 N 8.53 -0.03 -3.36 1.29 0.14 -1.86 -3.44 132.00 133.27 2kb4 h PRO 43 Ca -0.24 0.00 -0.58 0.00 0.14 0.00 0.00 66.00 65.32 2kb4 h PRO 43 Cb 1.09 0.01 -0.40 0.00 0.14 0.00 0.00 31.00 31.83 2kb4 h PRO 43 CO 0.94 -0.02 -0.76 0.00 0.14 0.00 0.00 178.00 178.30 2kb4 s ALA 44 N -3.01 1.47 -0.25 -0.56 0.00 -1.26 -4.88 121.76 113.27 2kb4 s ALA 44 Ca -0.00 -1.72 0.22 0.00 0.00 0.00 0.00 51.96 50.45 2kb4 s ALA 44 Cb 0.00 -1.63 0.49 0.00 0.00 0.00 0.00 23.12 21.98 2kb4 s ALA 44 CO 0.01 -1.73 1.17 0.41 0.00 0.00 0.00 175.76 175.62 2kb4 n GLY 45 N 4.70 1.77 3.95 0.00 0.00 -1.26 -4.27 105.19 110.07 2kb4 n GLY 45 Ca -0.00 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -3.33 5.43 0.12 1.61 0.01 -1.26 -4.81 113.70 111.46 2kb4 s SER 46 Ca 0.25 0.27 0.04 0.00 1.31 0.00 0.00 55.95 57.82 2kb4 s SER 46 Cb 0.34 -1.25 -0.04 0.00 0.21 0.00 0.00 66.02 65.28 2kb4 s SER 46 CO -0.06 -1.07 -0.10 0.00 0.41 0.00 0.00 173.24 172.43 2kb4 s ALA 47 N -2.81 1.23 0.06 1.44 0.00 -1.24 -1.58 121.76 118.86 2kb4 s ALA 47 Ca 0.54 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2kb4 s ALA 47 Cb -0.10 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2kb4 s ALA 47 CO 0.40 -0.07 -0.09 -0.48 0.00 0.00 0.00 175.76 175.52 2kb4 s LEU 48 N -2.76 2.31 -0.03 0.00 0.05 -0.54 -0.47 118.68 117.24 2kb4 s LEU 48 Ca 0.10 -0.65 0.04 0.00 0.05 0.00 0.00 54.13 53.67 2kb4 s LEU 48 Cb -0.00 -0.23 -0.01 0.00 -2.05 0.00 0.00 46.19 43.90 2kb4 s LEU 48 CO -0.00 -0.22 -0.16 -1.48 -0.55 0.00 0.00 176.35 173.93 2kb4 s LEU 49 N -1.91 1.94 -0.14 1.48 2.34 0.50 -0.91 118.68 121.99 2kb4 s LEU 49 Ca -0.04 -0.33 -0.00 0.00 0.06 0.00 0.00 54.13 53.82 2kb4 s LEU 49 Cb -0.07 -0.91 -0.01 0.00 -0.56 0.00 0.00 46.19 44.64 2kb4 s LEU 49 CO 0.00 0.16 -0.13 0.68 -1.06 0.00 0.00 176.35 176.00 2kb4 s VAL 50 N -0.08 3.02 -0.20 1.48 -7.23 0.18 -0.69 120.40 116.88 2kb4 s VAL 50 Ca -0.01 -0.67 -0.15 0.00 -1.81 0.00 0.00 61.98 59.35 2kb4 s VAL 50 Cb -0.10 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2kb4 s VAL 50 CO 0.01 0.52 0.36 -0.69 -0.31 0.00 0.00 175.10 174.99 2kb4 s VAL 51 N 0.46 5.22 -0.17 1.32 1.01 0.74 -0.46 120.40 128.52 2kb4 s VAL 51 Ca -0.10 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2kb4 s VAL 51 Cb -0.16 -3.70 -0.23 0.00 0.00 0.00 0.00 36.38 32.30 2kb4 s VAL 51 CO 0.05 0.27 0.15 0.29 0.00 0.00 0.00 175.10 175.86 2kb4 n LYS 52 N 4.39 0.68 -3.53 2.72 5.02 -1.02 -3.43 118.16 122.99 2kb4 n LYS 52 Ca -0.09 0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2kb4 n LYS 52 Cb 0.51 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 2kb4 n LYS 52 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kb4 s ARG 53 N -2.53 0.44 0.15 1.97 6.06 -1.15 -4.89 118.95 119.00 2kb4 s ARG 53 Ca -0.17 1.04 -0.24 0.00 -2.50 0.00 0.00 55.73 53.85 2kb4 s ARG 53 Cb 0.07 0.56 0.06 0.00 0.06 0.00 0.00 34.95 35.70 2kb4 s ARG 53 CO 0.76 -0.14 0.78 0.20 -2.50 0.00 0.00 175.30 174.40 2kb4 s GLY 54 N 2.48 -0.36 0.55 8.12 0.00 -1.21 -2.11 107.32 114.79 2kb4 s GLY 54 Ca -0.05 0.32 0.33 0.00 0.00 0.00 0.00 44.72 45.32 2kb4 s GLY 54 CO -0.18 0.10 2.02 -2.55 0.00 0.00 0.00 173.10 172.49 2kb4 h PRO 55 N 2.00 0.00 0.55 2.90 0.11 -1.98 -3.24 132.00 132.34 2kb4 h PRO 55 Ca -0.25 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 2kb4 h PRO 55 Cb 1.26 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.38 2kb4 h PRO 55 CO 0.30 0.04 -0.26 -2.95 -0.21 0.00 0.00 178.00 174.91 2kb4 h ASN 56 N 0.00 -0.62 0.00 -2.05 -1.07 -1.62 -3.43 115.58 106.78 2kb4 h ASN 56 Ca -0.00 -0.01 0.00 0.00 0.07 0.00 0.00 56.30 56.36 2kb4 h ASN 56 Cb 0.47 0.16 0.00 0.00 -2.07 0.00 0.00 38.32 36.88 2kb4 h ASN 56 CO 0.00 -0.22 0.00 0.00 0.07 0.00 0.00 177.43 177.29 2kb4 n ALA 57 N -2.70 0.00 -2.71 4.14 0.00 -1.22 -4.97 120.51 113.05 2kb4 n ALA 57 Ca -0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.27 2kb4 n ALA 57 Cb 0.30 0.00 0.11 0.00 0.00 0.00 0.00 19.45 19.86 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N 0.00 1.03 0.00 0.00 0.00 -1.26 -3.29 105.19 101.67 2kb4 n GLY 58 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N -0.21 0.00 -2.46 4.61 0.00 -1.22 -4.79 120.51 116.44 2kb4 n ALA 59 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 2kb4 n ALA 59 Cb 0.79 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.11 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -1.22 2.08 -0.00 0.00 1.70 -1.26 -0.19 118.95 120.06 2kb4 s ARG 60 Ca 0.00 -0.97 0.01 0.00 -0.47 0.00 0.00 55.73 54.30 2kb4 s ARG 60 Cb 0.00 -2.19 -0.00 0.00 -0.57 0.00 0.00 34.95 32.18 2kb4 s ARG 60 CO 0.00 0.54 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.66 2kb4 s PHE 61 N -0.92 0.38 -0.06 5.89 0.08 0.14 -5.00 117.98 118.49 2kb4 s PHE 61 Ca 0.14 -0.09 0.05 0.00 0.12 0.00 0.00 56.93 57.15 2kb4 s PHE 61 Cb -0.10 -0.24 -0.02 0.00 -0.57 0.00 0.00 43.02 42.08 2kb4 s PHE 61 CO 0.05 -0.01 -0.21 -1.17 -0.10 0.00 0.00 175.22 173.78 2kb4 s LEU 62 N -0.17 2.29 -0.34 -0.37 0.20 -1.26 -0.37 118.68 118.66 2kb4 s LEU 62 Ca 0.01 -0.41 -0.18 0.00 0.69 0.00 0.00 54.13 54.23 2kb4 s LEU 62 Cb -0.02 -1.44 -0.00 0.00 -0.43 0.00 0.00 46.19 44.30 2kb4 s LEU 62 CO -0.00 0.27 0.52 -0.76 -0.29 0.00 0.00 176.35 176.09 2kb4 s LEU 63 N -0.28 4.32 -0.06 -0.68 2.01 0.38 -4.88 118.68 119.48 2kb4 s LEU 63 Ca 0.01 0.03 0.13 0.00 0.01 0.00 0.00 54.13 54.31 2kb4 s LEU 63 Cb -0.13 -2.61 0.42 0.00 0.01 0.00 0.00 46.19 43.89 2kb4 s LEU 63 CO 0.03 -0.47 1.35 -0.67 1.01 0.00 0.00 176.35 177.59 2kb4 n ASP 64 N 5.75 3.41 -4.26 2.29 2.03 -1.26 -3.60 116.55 120.91 2kb4 n ASP 64 Ca -0.04 -2.35 -0.26 0.00 0.52 0.00 0.00 54.79 52.66 2kb4 n ASP 64 Cb 0.49 -0.36 -0.14 0.00 -0.72 0.00 0.00 41.12 40.38 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kb4 s GLN 65 N -1.62 1.47 0.11 -0.67 -2.07 -1.26 -5.06 119.66 110.55 2kb4 s GLN 65 Ca 0.32 -0.95 -0.28 0.00 -1.82 0.00 0.00 55.36 52.63 2kb4 s GLN 65 Cb 0.21 -1.58 -0.09 0.00 -1.09 0.00 0.00 33.01 30.46 2kb4 s GLN 65 CO 0.15 0.41 1.63 -1.00 -1.32 0.00 0.00 175.29 175.16 2kb4 h PRO 66 N 4.91 -0.50 -4.71 9.60 0.13 -1.92 -3.39 132.00 136.11 2kb4 h PRO 66 Ca -0.43 0.03 -0.69 0.00 -0.87 0.00 0.00 66.00 64.05 2kb4 h PRO 66 Cb 1.16 0.11 -0.32 0.00 0.13 0.00 0.00 31.00 32.08 2kb4 h PRO 66 CO 0.44 -0.34 -0.66 0.99 -0.23 0.00 0.00 178.00 178.20 2kb4 s THR 67 N -6.04 3.20 -0.34 1.56 2.01 -1.26 -2.41 115.64 112.36 2kb4 s THR 67 Ca -0.16 -1.42 -0.11 0.00 0.31 0.00 0.00 61.69 60.31 2kb4 s THR 67 Cb 0.08 -2.88 -0.00 0.00 0.01 0.00 0.00 72.50 69.70 2kb4 s THR 67 CO 0.65 -0.20 0.19 -0.89 -0.69 0.00 0.00 174.62 173.67 2kb4 s THR 68 N 1.27 4.77 -0.34 -0.82 2.01 0.11 -4.99 115.64 117.65 2kb4 s THR 68 Ca -0.03 -0.48 -0.14 0.00 0.31 0.00 0.00 61.69 61.35 2kb4 s THR 68 Cb -0.20 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2kb4 s THR 68 CO -0.01 -0.03 0.31 0.42 -0.69 0.00 0.00 174.62 174.62 2kb4 s THR 69 N 1.63 5.22 -0.16 -0.82 -4.23 -1.26 -0.57 115.64 115.45 2kb4 s THR 69 Ca 0.04 -0.09 -0.09 0.00 -1.18 0.00 0.00 61.69 60.38 2kb4 s THR 69 Cb -0.18 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 69.84 2kb4 s THR 69 CO 0.07 -0.06 0.15 0.00 -0.54 0.00 0.00 174.62 174.25 2kb4 s ALA 70 N 1.88 3.77 0.00 3.99 0.00 0.92 -2.46 121.76 129.86 2kb4 s ALA 70 Ca 0.09 -0.64 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2kb4 s ALA 70 Cb -0.17 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.86 2kb4 s ALA 70 CO 0.11 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2kb4 n GLY 71 N 2.76 -0.28 3.10 0.00 0.00 -1.26 -1.15 105.19 108.36 2kb4 n GLY 71 Ca -0.18 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.62 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N -2.21 0.53 0.02 1.61 3.52 -1.25 -0.65 118.95 120.51 2kb4 s ARG 72 Ca 0.00 0.76 -0.06 0.00 -0.13 0.00 0.00 55.73 56.31 2kb4 s ARG 72 Cb 0.00 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.65 2kb4 s ARG 72 CO 0.00 -0.77 1.09 0.45 -0.81 0.00 0.00 175.30 175.26 2kb4 h HIS 73 N 8.03 -0.25 -0.56 5.12 3.86 -1.99 -2.55 115.15 126.82 2kb4 h HIS 73 Ca -0.16 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 58.95 2kb4 h HIS 73 Cb 1.16 0.10 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 2kb4 h HIS 73 CO 0.16 -0.10 -0.08 -1.00 0.86 0.00 0.00 177.93 177.76 2kb4 h PRO 74 N -0.13 1.04 -2.55 2.45 0.13 -2.02 -3.36 132.00 127.56 2kb4 h PRO 74 Ca -0.00 -0.37 -0.60 0.00 -0.87 0.00 0.00 66.00 64.15 2kb4 h PRO 74 Cb 0.13 -0.07 -0.41 0.00 0.13 0.00 0.00 31.00 30.78 2kb4 h PRO 74 CO -0.04 1.07 -0.71 0.39 -0.23 0.00 0.00 178.00 178.48 2kb4 n GLU 75 N -4.16 1.65 -2.59 0.86 1.02 -1.24 -5.06 120.64 111.12 2kb4 n GLU 75 Ca 0.02 -4.18 -0.43 0.00 -0.02 0.00 0.00 57.16 52.55 2kb4 n GLU 75 Cb 0.39 -2.04 -0.02 0.00 -0.02 0.00 0.00 31.44 29.74 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kb4 s SER 76 N -1.52 7.12 0.01 1.62 1.04 -0.96 -4.76 113.70 116.25 2kb4 s SER 76 Ca 0.32 1.58 -0.25 0.00 0.48 0.00 0.00 55.95 58.08 2kb4 s SER 76 Cb 0.06 -2.55 -0.16 0.00 0.10 0.00 0.00 66.02 63.47 2kb4 s SER 76 CO -0.12 -0.58 1.18 0.44 0.98 0.00 0.00 173.24 175.14 2kb4 h ASP 77 N 7.43 -0.42 -4.24 7.02 3.32 -1.79 -3.44 116.42 124.30 2kb4 h ASP 77 Ca -0.28 -0.14 -0.55 0.00 0.02 0.00 0.00 57.03 56.08 2kb4 h ASP 77 Cb 1.12 0.11 -0.23 0.00 0.22 0.00 0.00 39.33 40.55 2kb4 h ASP 77 CO 0.91 -0.04 -0.83 0.27 -1.72 0.00 0.00 179.24 177.83 2kb4 s ILE 78 N -4.58 1.61 -0.11 0.35 -4.36 -1.24 -5.02 121.20 107.85 2kb4 s ILE 78 Ca -0.14 -1.37 -0.11 0.00 -0.26 0.00 0.00 60.65 58.77 2kb4 s ILE 78 Cb 0.02 -1.45 -0.05 0.00 1.25 0.00 0.00 42.46 42.23 2kb4 s ILE 78 CO 0.51 0.02 0.24 0.72 0.24 0.00 0.00 174.94 176.67 2kb4 s PHE 79 N -1.03 3.57 0.00 1.37 -0.71 -1.26 -4.24 117.98 115.68 2kb4 s PHE 79 Ca 0.06 0.63 0.00 0.00 -1.04 0.00 0.00 56.93 56.57 2kb4 s PHE 79 Cb -0.09 -2.15 0.00 0.00 -1.21 0.00 0.00 43.02 39.57 2kb4 s PHE 79 CO 0.03 0.53 0.00 -0.11 -1.34 0.00 0.00 175.22 174.34 2kb4 n LEU 80 N 2.54 0.00 -4.55 -1.99 7.94 -1.26 -4.78 117.00 114.90 2kb4 n LEU 80 Ca -0.16 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.35 2kb4 n LEU 80 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 2kb4 n LEU 80 CO 0.35 0.00 1.36 -1.81 -1.11 0.00 0.00 177.39 176.18 2kb4 s ASP 81 N 1.21 5.89 -0.13 1.96 1.01 -1.26 -1.67 116.67 123.69 2kb4 s ASP 81 Ca 0.00 -0.48 -0.15 0.00 0.71 0.00 0.00 52.55 52.64 2kb4 s ASP 81 Cb 0.00 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 2kb4 s ASP 81 CO 0.00 -2.01 0.35 -0.78 0.21 0.00 0.00 175.17 172.94 2kb4 h ASP 82 N 11.35 0.00 0.20 0.27 1.82 -1.94 -3.24 116.42 124.87 2kb4 h ASP 82 Ca -0.14 -0.48 -0.35 0.00 -0.39 0.00 0.00 57.03 55.67 2kb4 h ASP 82 Cb 1.07 0.00 0.01 0.00 0.68 0.00 0.00 39.33 41.09 2kb4 h ASP 82 CO 1.29 0.79 -1.74 0.58 -1.61 0.00 0.00 179.24 178.55 2kb4 h VAL 83 N -1.00 0.96 -0.37 2.25 2.07 -1.89 -3.32 116.25 114.94 2kb4 h VAL 83 Ca -0.02 -2.53 -0.21 0.00 0.82 0.00 0.00 66.70 64.76 2kb4 h VAL 83 Cb 0.55 2.78 -0.11 0.00 -1.52 0.00 0.00 31.29 32.98 2kb4 h VAL 83 CO -0.01 0.86 0.27 0.35 0.02 0.00 0.00 177.57 179.05 2kb4 n THR 84 N -3.60 2.04 -2.82 2.57 -2.24 -1.26 -4.94 114.28 104.04 2kb4 n THR 84 Ca -0.24 -0.91 -0.40 0.00 -2.27 0.00 0.00 64.05 60.23 2kb4 n THR 84 Cb 1.08 -0.96 -0.06 0.00 -2.10 0.00 0.00 70.33 68.29 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2kb4 s VAL 85 N -1.39 4.17 0.31 2.28 0.11 -1.22 -4.61 120.40 120.05 2kb4 s VAL 85 Ca 0.22 1.97 0.02 0.00 -2.93 0.00 0.00 61.98 61.26 2kb4 s VAL 85 Cb 0.18 -4.27 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2kb4 s VAL 85 CO 0.03 0.50 0.08 -0.24 -3.33 0.00 0.00 175.10 172.15 2kb4 n SER 86 N 1.55 1.51 -4.58 3.54 2.88 -1.26 -5.05 113.62 112.21 2kb4 n SER 86 Ca -0.03 -2.57 -0.38 0.00 -1.33 0.00 0.00 58.87 54.56 2kb4 n SER 86 Cb 0.48 0.65 -0.11 0.00 -0.75 0.00 0.00 64.21 64.47 2kb4 n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kb4 s ARG 87 N -3.16 3.92 -1.30 -1.46 1.70 -1.26 -3.87 118.95 113.53 2kb4 s ARG 87 Ca 0.12 -0.34 -0.02 0.00 -0.47 0.00 0.00 55.73 55.02 2kb4 s ARG 87 Cb 0.01 -3.61 0.00 0.00 -0.57 0.00 0.00 34.95 30.78 2kb4 s ARG 87 CO 0.08 -0.16 0.27 0.54 -1.08 0.00 0.00 175.30 174.95 2kb4 n ARG 88 N 4.98 -2.73 -0.03 3.89 5.12 0.17 -4.45 116.66 123.61 2kb4 n ARG 88 Ca -0.14 0.75 -0.05 0.00 -1.93 0.00 0.00 57.85 56.47 2kb4 n ARG 88 Cb 0.52 -5.18 -0.04 0.00 -1.16 0.00 0.00 32.46 26.61 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2kb4 h HIS 89 N -0.62 -0.60 -3.67 -1.55 -0.00 -1.38 -1.75 115.15 105.58 2kb4 h HIS 89 Ca -0.40 0.03 -0.21 0.00 -0.00 0.00 0.00 60.37 59.78 2kb4 h HIS 89 Cb 1.29 0.28 -0.27 0.00 -0.00 0.00 0.00 27.41 28.71 2kb4 h HIS 89 CO 0.42 -0.18 -0.67 0.00 -0.00 0.00 0.00 177.93 177.50 2kb4 s ALA 90 N -4.37 -0.08 -0.14 5.26 0.00 -0.30 -1.36 121.76 120.77 2kb4 s ALA 90 Ca -0.05 0.03 0.01 0.00 0.00 0.00 0.00 51.96 51.94 2kb4 s ALA 90 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kb4 s ALA 90 CO 0.22 -0.04 -0.16 -1.21 0.00 0.00 0.00 175.76 174.57 2kb4 s GLU 91 N -0.18 3.24 -0.34 0.00 2.02 0.82 -0.06 118.70 124.21 2kb4 s GLU 91 Ca -0.02 -0.75 -0.10 0.00 0.02 0.00 0.00 54.97 54.12 2kb4 s GLU 91 Cb -0.01 -2.57 0.01 0.00 0.10 0.00 0.00 34.13 31.66 2kb4 s GLU 91 CO -0.00 0.11 0.17 -0.06 0.02 0.00 0.00 175.26 175.50 2kb4 s PHE 92 N 0.58 3.21 0.11 1.61 0.40 0.26 -1.36 117.98 122.79 2kb4 s PHE 92 Ca -0.10 -0.85 0.09 0.00 -0.60 0.00 0.00 56.93 55.47 2kb4 s PHE 92 Cb -0.16 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 2kb4 s PHE 92 CO 0.03 -0.57 -0.22 1.03 0.70 0.00 0.00 175.22 176.19 2kb4 s ARG 93 N 1.56 1.16 -0.04 0.44 0.52 -0.44 -0.71 118.95 121.44 2kb4 s ARG 93 Ca 0.03 -1.19 0.05 0.00 -0.52 0.00 0.00 55.73 54.10 2kb4 s ARG 93 Cb -0.18 -1.46 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 2kb4 s ARG 93 CO 0.06 0.34 -0.20 0.96 0.02 0.00 0.00 175.30 176.48 2kb4 s ILE 94 N -1.16 2.58 0.06 1.52 -0.00 -1.01 -1.30 121.20 121.88 2kb4 s ILE 94 Ca 0.08 -0.90 0.09 0.00 -0.00 0.00 0.00 60.65 59.91 2kb4 s ILE 94 Cb -0.10 -1.97 -0.03 0.00 -0.00 0.00 0.00 42.46 40.36 2kb4 s ILE 94 CO 0.05 0.58 -0.25 0.21 -0.00 0.00 0.00 174.94 175.53 2kb4 s ASN 95 N -0.58 3.32 0.67 4.36 2.47 -0.28 -4.86 114.94 120.04 2kb4 s ASN 95 Ca 0.08 -0.58 0.33 0.00 0.42 0.00 0.00 52.86 53.12 2kb4 s ASN 95 Cb -0.11 -0.34 1.82 0.00 -1.45 0.00 0.00 41.25 41.17 2kb4 s ASN 95 CO 0.00 0.25 2.03 1.05 -3.72 0.00 0.00 177.10 176.71 2kb4 h GLU 96 N 4.61 0.00 0.00 0.43 9.09 -1.99 -2.32 114.58 124.39 2kb4 h GLU 96 Ca -0.47 0.00 -0.25 0.00 0.05 0.00 0.00 59.36 58.68 2kb4 h GLU 96 Cb 1.15 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 28.20 2kb4 h GLU 96 CO 0.44 0.00 -1.95 0.41 0.05 0.00 0.00 179.01 177.95 2kb4 n GLY 97 N -1.19 -0.59 3.11 1.06 0.00 -1.26 -5.05 105.19 101.26 2kb4 n GLY 97 Ca -0.02 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 2kb4 n GLY 97 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kb4 s GLU 98 N -2.34 0.43 -0.15 1.61 2.02 -0.87 -5.14 118.70 114.26 2kb4 s GLU 98 Ca -0.10 -0.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.53 2kb4 s GLU 98 Cb 0.04 0.19 -0.04 0.00 0.10 0.00 0.00 34.13 34.42 2kb4 s GLU 98 CO 0.53 -0.10 0.35 -0.06 0.02 0.00 0.00 175.26 176.00 2kb4 s PHE 99 N -0.99 3.47 -0.05 1.61 0.08 -1.26 -1.12 117.98 119.71 2kb4 s PHE 99 Ca -0.11 0.68 0.01 0.00 0.12 0.00 0.00 56.93 57.63 2kb4 s PHE 99 Cb -0.06 -2.41 0.02 0.00 -0.57 0.00 0.00 43.02 40.00 2kb4 s PHE 99 CO 0.01 0.21 -0.07 -2.00 -0.10 0.00 0.00 175.22 173.27 2kb4 s GLU 100 N 0.55 1.15 -0.23 0.44 2.12 -0.42 -0.14 118.70 122.16 2kb4 s GLU 100 Ca 0.19 -0.21 -0.02 0.00 0.36 0.00 0.00 54.97 55.28 2kb4 s GLU 100 Cb -0.14 -1.06 0.01 0.00 0.26 0.00 0.00 34.13 33.20 2kb4 s GLU 100 CO 0.06 -0.05 -0.07 0.08 -0.54 0.00 0.00 175.26 174.74 2kb4 s VAL 101 N 0.87 3.03 -0.09 3.70 1.01 0.06 -1.33 120.40 127.65 2kb4 s VAL 101 Ca -0.12 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.15 2kb4 s VAL 101 Cb -0.15 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 2kb4 s VAL 101 CO 0.01 0.35 -0.23 0.68 0.00 0.00 0.00 175.10 175.91 2kb4 s VAL 102 N 1.40 1.95 -0.08 2.92 -7.23 -0.46 -0.78 120.40 118.11 2kb4 s VAL 102 Ca 0.04 -0.96 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2kb4 s VAL 102 Cb -0.15 -1.68 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 2kb4 s VAL 102 CO -0.05 0.54 0.26 1.51 -0.31 0.00 0.00 175.10 177.05 2kb4 s ASP 103 N 0.30 6.56 0.00 4.85 -4.77 -0.28 -0.12 116.67 123.20 2kb4 s ASP 103 Ca -0.16 0.66 0.00 0.00 -3.30 0.00 0.00 52.55 49.75 2kb4 s ASP 103 Cb -0.17 -2.15 0.00 0.00 -1.09 0.00 0.00 42.92 39.51 2kb4 s ASP 103 CO 0.08 0.34 0.30 1.33 0.70 0.00 0.00 175.17 177.92 2kb4 n VAL 104 N 2.11 0.00 -0.05 2.11 0.24 -0.81 -4.72 118.33 117.22 2kb4 n VAL 104 Ca -0.17 -0.40 -0.22 0.00 -2.04 0.00 0.00 64.34 61.52 2kb4 n VAL 104 Cb 0.54 1.16 -0.13 0.00 -1.47 0.00 0.00 33.84 33.94 2kb4 n VAL 104 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2kb4 h GLY 105 N 0.00 0.16 -2.96 7.63 0.00 -0.27 -3.47 103.07 104.17 2kb4 h GLY 105 Ca 0.00 -0.42 -0.40 0.00 0.00 0.00 0.00 47.33 46.52 2kb4 h GLY 105 CO 0.00 0.36 -0.50 1.44 0.00 0.00 0.00 176.54 177.85 2kb4 n SER 106 N -3.95 -5.62 -0.06 0.19 7.64 -1.25 -4.90 113.62 105.66 2kb4 n SER 106 Ca -0.32 0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.42 2kb4 n SER 106 Cb 0.87 -4.71 -0.13 0.00 -1.01 0.00 0.00 64.21 59.23 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N 0.00 0.11 0.00 -3.43 5.85 -1.94 -3.37 115.31 112.53 2kb4 h LEU 107 Ca -0.46 -0.77 0.00 0.00 0.84 0.00 0.00 57.88 57.48 2kb4 h LEU 107 Cb 1.34 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2kb4 h LEU 107 CO 0.56 1.36 -0.74 -1.13 -0.34 0.00 0.00 178.44 178.14 2kb4 h ASN 108 N -0.80 0.00 -0.51 1.25 -1.24 -1.91 -3.50 115.58 108.87 2kb4 h ASN 108 Ca -0.22 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.77 2kb4 h ASN 108 Cb 1.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.38 2kb4 h ASN 108 CO -0.06 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 2kb4 n GLY 109 N 1.18 0.98 3.54 1.57 0.00 -1.26 -3.20 105.19 108.00 2kb4 n GLY 109 Ca 0.01 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.40 2kb4 n GLY 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 110 N -0.11 3.84 0.02 2.61 -4.23 -1.26 -0.30 115.64 116.22 2kb4 s THR 110 Ca 0.00 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.12 2kb4 s THR 110 Cb 0.00 -2.64 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 2kb4 s THR 110 CO 0.00 0.54 -0.04 -0.31 -0.54 0.00 0.00 174.62 174.27 2kb4 s TYR 111 N -0.16 0.32 -0.12 3.99 1.51 0.47 -0.81 117.35 122.56 2kb4 s TYR 111 Ca 0.03 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2kb4 s TYR 111 Cb -0.13 -0.21 0.01 0.00 -0.11 0.00 0.00 41.96 41.52 2kb4 s TYR 111 CO 0.03 -0.12 -0.18 0.54 -1.11 0.00 0.00 175.55 174.71 2kb4 s VAL 112 N -1.08 1.72 -1.82 0.71 0.11 0.78 -0.02 120.40 120.79 2kb4 s VAL 112 Ca -0.10 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.17 2kb4 s VAL 112 Cb -0.08 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.23 2kb4 s VAL 112 CO -0.00 0.48 0.00 0.59 -3.33 0.00 0.00 175.10 172.84 2kb4 n ASN 113 N 4.09 -5.18 -0.09 3.54 4.13 0.15 -0.56 115.26 121.35 2kb4 n ASN 113 Ca -0.19 0.34 -0.01 0.00 1.68 0.00 0.00 54.58 56.40 2kb4 n ASN 113 Cb 0.51 -4.25 -0.01 0.00 -1.54 0.00 0.00 39.78 34.50 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N -2.53 -0.47 -3.65 3.52 1.74 -1.26 -5.03 116.66 108.99 2kb4 n ARG 114 Ca -0.19 0.25 -0.38 0.00 -0.77 0.00 0.00 57.85 56.76 2kb4 n ARG 114 Cb 0.60 -3.70 -0.12 0.00 -1.02 0.00 0.00 32.46 28.23 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N -0.93 3.65 -0.32 5.56 -6.30 0.28 -5.00 118.70 115.64 2kb4 s GLU 115 Ca 0.00 -0.51 -0.41 0.00 -2.50 0.00 0.00 54.97 51.55 2kb4 s GLU 115 Cb 0.00 -3.56 -0.16 0.00 0.00 0.00 0.00 34.13 30.41 2kb4 s GLU 115 CO 0.00 -0.28 1.74 -2.30 0.02 0.00 0.00 175.26 174.45 2kb4 n PRO 116 N 5.01 0.95 -3.62 4.30 -0.02 -1.26 -0.15 135.00 140.20 2kb4 n PRO 116 Ca -0.14 0.35 -0.07 0.00 -2.02 0.00 0.00 63.50 61.61 2kb4 n PRO 116 Cb 0.51 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.89 2kb4 n PRO 116 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2kb4 s ARG 117 N 3.60 0.36 0.02 -0.52 6.06 0.01 -4.83 118.95 123.65 2kb4 s ARG 117 Ca 1.00 1.05 -0.12 0.00 -2.50 0.00 0.00 55.73 55.16 2kb4 s ARG 117 Cb -1.14 0.34 -0.33 0.00 0.06 0.00 0.00 34.95 33.88 2kb4 s ARG 117 CO 0.68 -0.29 0.93 -0.91 -2.50 0.00 0.00 175.30 173.22 2kb4 h ASN 118 N 8.15 0.69 -4.32 -2.12 4.21 -1.92 -3.33 115.58 116.94 2kb4 h ASN 118 Ca -0.16 -0.81 -0.57 0.00 1.21 0.00 0.00 56.30 55.96 2kb4 h ASN 118 Cb 1.11 -0.23 -0.30 0.00 -1.12 0.00 0.00 38.32 37.79 2kb4 h ASN 118 CO 0.13 1.65 -0.84 0.00 -1.29 0.00 0.00 177.43 177.08 2kb4 s ALA 119 N -2.61 1.58 -0.01 -0.83 0.00 -1.26 -1.13 121.76 117.51 2kb4 s ALA 119 Ca -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.06 2kb4 s ALA 119 Cb 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.76 2kb4 s ALA 119 CO 0.91 0.38 -0.00 -1.14 0.00 0.00 0.00 175.76 175.90 2kb4 s GLN 120 N -0.39 0.07 -0.47 0.00 2.00 0.04 -5.00 119.66 115.90 2kb4 s GLN 120 Ca 0.06 0.01 -0.04 0.00 -2.00 0.00 0.00 55.36 53.39 2kb4 s GLN 120 Cb -0.08 -0.12 0.12 0.00 0.80 0.00 0.00 33.01 33.74 2kb4 s GLN 120 CO -0.00 -0.02 0.29 0.08 -0.50 0.00 0.00 175.29 175.14 2kb4 s VAL 121 N 0.20 3.56 -0.02 1.34 1.01 -1.26 -0.76 120.40 124.47 2kb4 s VAL 121 Ca -0.02 -2.23 -0.01 0.00 0.00 0.00 0.00 61.98 59.73 2kb4 s VAL 121 Cb -0.03 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2kb4 s VAL 121 CO -0.01 -0.75 0.02 1.15 0.00 0.00 0.00 175.10 175.51 2kb4 n MET 122 N 4.38 -1.35 -4.32 2.72 0.00 0.80 -4.91 117.12 114.43 2kb4 n MET 122 Ca -0.01 1.32 -0.32 0.00 0.00 0.00 0.00 57.70 58.69 2kb4 n MET 122 Cb 0.40 -1.17 -0.16 0.00 0.00 0.00 0.00 33.22 32.29 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kb4 s GLN 123 N -0.24 2.74 -0.17 3.17 2.00 -1.26 -5.01 119.66 120.89 2kb4 s GLN 123 Ca -0.02 -0.74 -0.03 0.00 -2.00 0.00 0.00 55.36 52.57 2kb4 s GLN 123 Cb 0.00 -2.33 -0.02 0.00 0.80 0.00 0.00 33.01 31.46 2kb4 s GLN 123 CO 0.06 -0.13 -0.05 -0.08 -0.50 0.00 0.00 175.29 174.59 2kb4 s THR 124 N 1.14 3.68 0.00 -0.34 -1.32 -1.26 -4.16 115.64 113.37 2kb4 s THR 124 Ca -0.00 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.05 2kb4 s THR 124 Cb -0.14 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 2kb4 s THR 124 CO -0.07 0.48 0.00 0.61 -2.21 0.00 0.00 174.62 173.42 2kb4 n GLY 125 N 3.82 0.64 3.68 6.08 0.00 0.28 -4.98 105.19 114.71 2kb4 n GLY 125 Ca -0.18 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 2kb4 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kb4 s ASP 126 N -2.43 4.59 -0.22 1.61 1.01 -1.20 -4.93 116.67 115.09 2kb4 s ASP 126 Ca 0.00 -0.71 -0.06 0.00 0.71 0.00 0.00 52.55 52.49 2kb4 s ASP 126 Cb 0.00 -0.79 -0.03 0.00 1.01 0.00 0.00 42.92 43.11 2kb4 s ASP 126 CO 0.00 -0.12 0.03 -0.70 0.21 0.00 0.00 175.17 174.59 2kb4 s GLU 127 N -3.74 3.63 -0.19 8.23 2.12 -1.26 -0.64 118.70 126.84 2kb4 s GLU 127 Ca 0.34 -0.50 -0.09 0.00 0.36 0.00 0.00 54.97 55.08 2kb4 s GLU 127 Cb -0.05 -3.18 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 2kb4 s GLU 127 CO 0.21 -0.08 0.11 0.42 -0.54 0.00 0.00 175.26 175.38 2kb4 s ILE 128 N 1.27 5.18 -0.18 -3.70 1.01 0.16 0.35 121.20 125.27 2kb4 s ILE 128 Ca 0.04 0.11 -0.03 0.00 0.00 0.00 0.00 60.65 60.76 2kb4 s ILE 128 Cb -0.15 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 2kb4 s ILE 128 CO 0.02 0.45 -0.05 -1.58 0.00 0.00 0.00 174.94 173.78 2kb4 s GLN 129 N 0.38 3.51 -0.32 2.79 0.74 0.97 -0.42 119.66 127.31 2kb4 s GLN 129 Ca 0.06 -0.58 -0.04 0.00 0.05 0.00 0.00 55.36 54.85 2kb4 s GLN 129 Cb -0.12 -2.93 0.05 0.00 1.10 0.00 0.00 33.01 31.11 2kb4 s GLN 129 CO -0.01 0.04 0.05 0.96 -0.55 0.00 0.00 175.29 175.77 2kb4 s ILE 130 N 0.87 3.33 0.00 -2.34 -0.00 -0.22 -0.39 121.20 122.45 2kb4 s ILE 130 Ca -0.01 -1.28 0.00 0.00 -0.00 0.00 0.00 60.65 59.36 2kb4 s ILE 130 Cb -0.15 -2.90 0.00 0.00 -0.00 0.00 0.00 42.46 39.41 2kb4 s ILE 130 CO 0.01 -0.14 0.00 0.61 -0.00 0.00 0.00 174.94 175.42 2kb4 n GLY 131 N 4.70 1.47 0.00 6.27 0.00 0.59 -0.88 105.19 117.34 2kb4 n GLY 131 Ca -0.13 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 0.00 0.00 -4.04 1.61 4.81 -1.26 -4.97 118.16 114.31 2kb4 n LYS 132 Ca 0.00 -0.28 -0.30 0.00 -0.87 0.00 0.00 58.31 56.86 2kb4 n LYS 132 Cb 0.00 -0.35 -0.06 0.00 0.02 0.00 0.00 35.03 34.64 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2kb4 s PHE 133 N 0.00 3.23 -0.10 5.64 0.08 -0.06 -5.06 117.98 121.71 2kb4 s PHE 133 Ca 0.00 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.17 2kb4 s PHE 133 Cb 0.00 -1.62 -0.00 0.00 -0.57 0.00 0.00 43.02 40.82 2kb4 s PHE 133 CO 0.00 0.53 -0.23 -0.98 -0.10 0.00 0.00 175.22 174.44 2kb4 s ARG 134 N -2.53 3.02 -0.03 0.44 3.03 -0.90 -1.06 118.95 120.93 2kb4 s ARG 134 Ca 0.30 -0.86 0.06 0.00 2.03 0.00 0.00 55.73 57.26 2kb4 s ARG 134 Cb -0.12 -2.32 -0.01 0.00 -1.03 0.00 0.00 34.95 31.47 2kb4 s ARG 134 CO 0.23 0.21 -0.21 -1.17 -1.13 0.00 0.00 175.30 173.24 2kb4 s LEU 135 N 0.27 2.01 -0.18 -1.89 0.20 0.44 -2.42 118.68 117.11 2kb4 s LEU 135 Ca -0.16 -0.39 -0.04 0.00 0.69 0.00 0.00 54.13 54.22 2kb4 s LEU 135 Cb -0.17 -1.10 -0.03 0.00 -0.43 0.00 0.00 46.19 44.46 2kb4 s LEU 135 CO 0.08 0.23 -0.02 -0.69 -0.29 0.00 0.00 176.35 175.66 2kb4 s VAL 136 N -0.30 3.92 -0.18 1.68 1.01 0.39 0.35 120.40 127.27 2kb4 s VAL 136 Ca 0.03 -0.34 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2kb4 s VAL 136 Cb -0.10 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2kb4 s VAL 136 CO 0.01 0.46 0.08 0.12 0.00 0.00 0.00 175.10 175.77 2kb4 s PHE 137 N 0.69 3.31 0.09 5.22 5.36 0.18 -0.64 117.98 132.19 2kb4 s PHE 137 Ca -0.01 0.17 0.08 0.00 -0.96 0.00 0.00 56.93 56.21 2kb4 s PHE 137 Cb -0.14 -2.10 -0.03 0.00 -0.34 0.00 0.00 43.02 40.41 2kb4 s PHE 137 CO 0.02 0.22 -0.20 -0.51 -1.46 0.00 0.00 175.22 173.29 2kb4 s LEU 138 N 0.30 2.27 0.11 6.12 2.01 -0.09 -0.55 118.68 128.85 2kb4 s LEU 138 Ca 0.05 -0.65 -0.29 0.00 0.01 0.00 0.00 54.13 53.26 2kb4 s LEU 138 Cb -0.12 -0.88 -0.06 0.00 0.01 0.00 0.00 46.19 45.14 2kb4 s LEU 138 CO -0.00 0.07 0.90 0.00 1.01 0.00 0.00 176.35 178.33 2kb4 s ALA 139 N -1.09 3.29 0.63 4.21 0.00 -1.26 -1.47 121.76 126.07 2kb4 s ALA 139 Ca 0.06 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.36 2kb4 s ALA 139 Cb -0.10 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.82 2kb4 s ALA 139 CO 0.04 0.03 1.12 0.20 0.00 0.00 0.00 175.76 177.14 2kb4 s GLY 140 N -0.15 2.28 0.28 0.00 0.00 -0.61 -4.76 107.32 104.36 2kb4 s GLY 140 Ca 0.44 0.63 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 2kb4 s GLY 140 CO 0.28 0.98 1.31 2.56 0.00 0.00 0.00 173.10 178.24 2kb4 s PRO 141 N -3.88 4.37 -0.63 2.90 0.04 -1.26 -4.81 135.00 131.74 2kb4 s PRO 141 Ca 0.69 2.15 -0.26 0.00 0.04 0.00 0.00 61.00 63.62 2kb4 s PRO 141 Cb -0.22 -3.12 0.04 0.00 0.04 0.00 0.00 34.50 31.24 2kb4 s PRO 141 CO 0.38 -0.21 1.13 0.00 0.04 0.00 0.00 177.00 178.34 2kb4 s ALA 142 N -0.59 2.98 0.00 8.56 0.00 -1.26 -4.70 121.76 126.75 2kb4 s ALA 142 Ca 0.52 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2kb4 s ALA 142 Cb -0.39 -4.01 0.00 0.00 0.00 0.00 0.00 23.12 18.73 2kb4 s ALA 142 CO 0.46 -2.78 0.37 -1.91 0.00 0.00 0.00 175.76 171.90