#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 0.00 -1.22 3.17 0.02 -2.13 -3.48 113.55 109.91 2kb4 h SER 2 Ca 0.00 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 60.18 2kb4 h SER 2 Cb 0.00 0.00 0.04 0.00 0.14 0.00 0.00 62.40 62.58 2kb4 h SER 2 CO 0.00 0.39 0.28 0.47 -1.14 0.00 0.00 176.83 176.84 2kb4 n ASP 3 N -3.07 0.71 -4.05 3.07 9.92 -1.26 -5.00 116.55 116.88 2kb4 n ASP 3 Ca -0.01 1.15 -0.16 0.00 -0.53 0.00 0.00 54.79 55.24 2kb4 n ASP 3 Cb 0.71 -1.00 -0.13 0.00 -0.64 0.00 0.00 41.12 40.06 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kb4 s ASN 4 N 0.66 0.96 -0.89 -2.24 4.22 -1.26 -5.08 114.94 111.32 2kb4 s ASN 4 Ca 0.91 -0.37 -0.22 0.00 -2.14 0.00 0.00 52.86 51.05 2kb4 s ASN 4 Cb -1.20 -0.03 0.08 0.00 1.28 0.00 0.00 41.25 41.38 2kb4 s ASN 4 CO 0.57 -0.05 1.22 0.21 -2.04 0.00 0.00 177.10 177.01 2kb4 s ASN 5 N -0.96 6.45 0.62 3.54 2.47 -1.26 -4.99 114.94 120.81 2kb4 s ASN 5 Ca -0.03 -1.49 -0.12 0.00 0.42 0.00 0.00 52.86 51.64 2kb4 s ASN 5 Cb -0.07 -2.48 -0.04 0.00 -1.45 0.00 0.00 41.25 37.22 2kb4 s ASN 5 CO 0.00 -1.36 1.03 -0.83 -3.72 0.00 0.00 177.10 172.22 2kb4 s GLY 6 N 4.10 1.75 -0.05 1.21 0.00 -1.26 -5.00 107.32 108.07 2kb4 s GLY 6 Ca 0.35 0.01 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 2kb4 s GLY 6 CO -0.04 0.29 1.21 -1.59 0.00 0.00 0.00 173.10 172.98 2kb4 s THR 7 N -3.02 4.22 0.13 0.90 2.01 -1.26 -4.98 115.64 113.64 2kb4 s THR 7 Ca 0.57 1.55 -0.31 0.00 0.31 0.00 0.00 61.69 63.80 2kb4 s THR 7 Cb -0.12 -4.00 -0.10 0.00 0.01 0.00 0.00 72.50 68.30 2kb4 s THR 7 CO 0.50 -0.00 1.63 -2.84 -0.69 0.00 0.00 174.62 173.22 2kb4 s PRO 8 N 2.21 4.20 0.14 4.92 0.02 -1.26 -4.99 135.00 140.24 2kb4 s PRO 8 Ca 0.56 2.38 -0.15 0.00 0.02 0.00 0.00 61.00 63.82 2kb4 s PRO 8 Cb -0.25 -3.36 -0.07 0.00 0.02 0.00 0.00 34.50 30.84 2kb4 s PRO 8 CO 0.22 -0.68 0.56 -1.83 -0.33 0.00 0.00 177.00 174.94 2kb4 s GLU 9 N 1.85 4.02 0.30 5.54 4.04 -1.26 -5.06 118.70 128.13 2kb4 s GLU 9 Ca 0.73 0.54 -0.28 0.00 0.04 0.00 0.00 54.97 56.00 2kb4 s GLU 9 Cb -0.43 -2.98 -0.09 0.00 0.02 0.00 0.00 34.13 30.65 2kb4 s GLU 9 CO 0.32 0.50 1.03 -2.14 -1.84 0.00 0.00 175.26 173.13 2kb4 s PRO 10 N -1.82 4.60 -0.27 -4.83 0.02 -1.26 -5.01 135.00 126.42 2kb4 s PRO 10 Ca 0.36 1.61 -0.28 0.00 0.02 0.00 0.00 61.00 62.72 2kb4 s PRO 10 Cb -0.16 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.33 2kb4 s PRO 10 CO 0.19 0.23 0.99 -0.65 -0.33 0.00 0.00 177.00 177.44 2kb4 s GLN 11 N -1.65 4.14 -0.21 5.54 -0.21 -1.26 -4.99 119.66 121.02 2kb4 s GLN 11 Ca 0.47 1.10 -0.29 0.00 0.02 0.00 0.00 55.36 56.65 2kb4 s GLN 11 Cb -0.27 -3.69 -0.01 0.00 1.00 0.00 0.00 33.01 30.04 2kb4 s GLN 11 CO 0.34 -0.72 1.26 0.54 -2.12 0.00 0.00 175.29 174.59 2kb4 s VAL 12 N 3.29 4.26 -0.21 1.09 0.11 -1.26 -4.97 120.40 122.70 2kb4 s VAL 12 Ca 0.42 1.50 -0.28 0.00 -2.93 0.00 0.00 61.98 60.69 2kb4 s VAL 12 Cb -0.14 -4.06 0.00 0.00 -1.53 0.00 0.00 36.38 30.66 2kb4 s VAL 12 CO 0.10 -0.23 0.97 -0.70 -3.33 0.00 0.00 175.10 171.91 2kb4 s GLU 13 N 3.68 4.26 -0.14 1.54 2.56 -1.26 -5.00 118.70 124.34 2kb4 s GLU 13 Ca 0.55 1.24 -0.01 0.00 0.00 0.00 0.00 54.97 56.75 2kb4 s GLU 13 Cb -0.20 -3.62 0.03 0.00 2.00 0.00 0.00 34.13 32.34 2kb4 s GLU 13 CO 0.16 -0.54 -0.06 -0.08 -0.56 0.00 0.00 175.26 174.18 2kb4 s THR 14 N 2.89 1.04 -0.57 -1.70 -1.32 -1.26 -5.08 115.64 109.64 2kb4 s THR 14 Ca 0.42 -0.45 -0.18 0.00 -1.21 0.00 0.00 61.69 60.27 2kb4 s THR 14 Cb -0.16 -1.15 0.10 0.00 -1.51 0.00 0.00 72.50 69.79 2kb4 s THR 14 CO 0.08 0.23 0.65 0.42 -2.21 0.00 0.00 174.62 173.80 2kb4 s THR 15 N 1.68 4.89 -0.65 5.08 -4.23 -1.26 -5.00 115.64 116.15 2kb4 s THR 15 Ca 0.03 -0.97 -0.27 0.00 -1.18 0.00 0.00 61.69 59.29 2kb4 s THR 15 Cb -0.14 -4.43 0.03 0.00 1.34 0.00 0.00 72.50 69.31 2kb4 s THR 15 CO -0.08 -1.02 1.19 -0.55 -0.54 0.00 0.00 174.62 173.62 2kb4 s SER 16 N 3.43 6.30 -0.02 3.99 0.15 -1.26 -4.99 113.70 121.30 2kb4 s SER 16 Ca 0.11 -0.24 -0.17 0.00 0.70 0.00 0.00 55.95 56.35 2kb4 s SER 16 Cb -0.24 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.48 2kb4 s SER 16 CO 0.07 -1.60 0.47 -0.69 1.20 0.00 0.00 173.24 172.69 2kb4 s VAL 17 N 5.12 5.01 -0.43 4.45 1.01 -1.26 -5.00 120.40 129.30 2kb4 s VAL 17 Ca 0.37 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 63.05 2kb4 s VAL 17 Cb -0.09 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2kb4 s VAL 17 CO 0.20 0.48 1.74 0.12 0.00 0.00 0.00 175.10 177.64 2kb4 s PHE 18 N -0.48 1.87 -0.05 5.22 5.36 -1.26 -4.95 117.98 123.69 2kb4 s PHE 18 Ca 0.26 0.68 -0.25 0.00 -0.96 0.00 0.00 56.93 56.65 2kb4 s PHE 18 Cb -0.17 -4.15 -0.03 0.00 -0.34 0.00 0.00 43.02 38.32 2kb4 s PHE 18 CO 0.14 -2.58 0.76 1.03 -1.46 0.00 0.00 175.22 173.11 2kb4 s ARG 19 N 5.93 4.46 -0.90 10.12 0.52 -1.26 -4.93 118.95 132.89 2kb4 s ARG 19 Ca 0.72 1.00 -0.08 0.00 -0.52 0.00 0.00 55.73 56.85 2kb4 s ARG 19 Cb -0.18 -3.45 -0.17 0.00 0.52 0.00 0.00 34.95 31.67 2kb4 s ARG 19 CO 0.30 0.03 3.26 0.00 0.02 0.00 0.00 175.30 178.91 2kb4 n ALA 20 N 3.83 7.05 0.03 2.13 0.00 -1.26 -4.41 120.51 127.88 2kb4 n ALA 20 Ca 0.00 -2.78 -0.19 0.00 0.00 0.00 0.00 53.44 50.48 2kb4 n ALA 20 Cb 0.51 -2.90 -0.13 0.00 0.00 0.00 0.00 19.45 16.93 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb4 h ASP 21 N 4.10 0.49 -4.53 0.00 3.58 -2.01 -3.50 116.42 114.55 2kb4 h ASP 21 Ca 0.57 -0.88 0.01 0.00 0.42 0.00 0.00 57.03 57.15 2kb4 h ASP 21 Cb 0.83 -0.15 -0.08 0.00 1.72 0.00 0.00 39.33 41.65 2kb4 h ASP 21 CO 1.09 1.32 -1.16 -0.11 -2.88 0.00 0.00 179.24 177.51 2kb4 n LEU 22 N -4.17 -5.43 -4.74 2.28 7.94 -1.26 -4.99 117.00 106.63 2kb4 n LEU 22 Ca -0.12 1.99 -0.39 0.00 -1.11 0.00 0.00 56.01 56.38 2kb4 n LEU 22 Cb 0.76 -2.83 -0.06 0.00 0.53 0.00 0.00 43.42 41.82 2kb4 n LEU 22 CO 0.48 -3.02 0.27 -0.22 -1.11 0.00 0.00 177.39 173.79 2kb4 s LEU 23 N -0.52 4.34 0.48 -1.96 2.96 -1.26 -5.06 118.68 117.66 2kb4 s LEU 23 Ca -0.17 1.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.84 2kb4 s LEU 23 Cb 0.01 -2.87 -0.00 0.00 0.50 0.00 0.00 46.19 43.83 2kb4 s LEU 23 CO 0.46 0.02 0.29 -1.59 -1.32 0.00 0.00 176.35 174.21 2kb4 s LYS 24 N 0.30 2.28 0.11 1.98 0.00 -1.26 -5.07 119.74 118.08 2kb4 s LYS 24 Ca 0.31 -1.93 -0.31 0.00 0.00 0.00 0.00 55.97 54.04 2kb4 s LYS 24 Cb -0.17 -2.05 -0.07 0.00 0.00 0.00 0.00 37.83 35.54 2kb4 s LYS 24 CO 0.15 -0.37 1.30 -2.00 0.00 0.00 0.00 175.35 174.42 2kb4 s GLU 25 N -4.10 4.38 -0.93 1.78 2.56 -1.26 -4.93 118.70 116.21 2kb4 s GLU 25 Ca 0.35 1.94 -0.23 0.00 0.00 0.00 0.00 54.97 57.04 2kb4 s GLU 25 Cb -0.00 -3.28 0.06 0.00 2.00 0.00 0.00 34.13 32.91 2kb4 s GLU 25 CO 0.21 -0.32 1.35 -1.64 -0.56 0.00 0.00 175.26 174.29 2kb4 s MET 26 N 0.85 3.47 0.75 4.30 -1.94 -1.26 -4.99 119.30 120.49 2kb4 s MET 26 Ca 0.61 -0.97 -0.09 0.00 -1.71 0.00 0.00 55.69 53.52 2kb4 s MET 26 Cb -0.34 -4.98 0.07 0.00 2.01 0.00 0.00 34.83 31.59 2kb4 s MET 26 CO 0.31 -2.13 1.09 -1.83 -0.01 0.00 0.00 175.02 172.46 2kb4 s GLU 27 N 4.85 2.10 0.66 2.03 -1.05 -1.26 -5.09 118.70 120.94 2kb4 s GLU 27 Ca 0.41 -0.08 -0.08 0.00 -0.15 0.00 0.00 54.97 55.07 2kb4 s GLU 27 Cb -0.03 -2.07 0.15 0.00 -0.44 0.00 0.00 34.13 31.73 2kb4 s GLU 27 CO -0.03 -1.40 0.91 0.43 0.95 0.00 0.00 175.26 176.11 2kb4 n SER 28 N -3.10 0.46 -4.72 0.83 7.64 -1.26 -5.05 113.62 108.41 2kb4 n SER 28 Ca 0.08 -1.56 -0.32 0.00 1.01 0.00 0.00 58.87 58.08 2kb4 n SER 28 Cb 0.61 -0.66 0.12 0.00 -1.01 0.00 0.00 64.21 63.27 2kb4 n SER 28 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2kb4 s SER 29 N -4.44 3.81 0.16 6.43 0.01 -1.26 -4.96 113.70 113.46 2kb4 s SER 29 Ca 0.54 2.09 -0.13 0.00 1.31 0.00 0.00 55.95 59.76 2kb4 s SER 29 Cb -0.02 -2.56 0.05 0.00 0.21 0.00 0.00 66.02 63.71 2kb4 s SER 29 CO 0.37 -2.51 1.73 0.71 0.41 0.00 0.00 173.24 173.95 2kb4 h THR 30 N -1.21 1.21 -2.66 1.44 1.35 -2.08 -3.48 112.91 107.49 2kb4 h THR 30 Ca -0.44 -0.64 0.08 0.00 -0.55 0.00 0.00 66.41 64.87 2kb4 h THR 30 Cb 1.26 0.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.30 2kb4 h THR 30 CO 0.47 0.25 0.45 0.61 -0.25 0.00 0.00 175.52 177.04 2kb4 n GLY 31 N -0.85 0.79 3.66 5.82 0.00 -1.26 -5.15 105.19 108.20 2kb4 n GLY 31 Ca 0.02 -1.18 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 32 N -2.11 4.72 -0.17 2.61 -1.32 -1.26 -5.08 115.64 113.01 2kb4 s THR 32 Ca 0.19 -0.07 -0.18 0.00 -1.21 0.00 0.00 61.69 60.42 2kb4 s THR 32 Cb -0.03 -3.09 -0.04 0.00 -1.51 0.00 0.00 72.50 67.83 2kb4 s THR 32 CO 0.07 0.50 0.49 0.00 -2.21 0.00 0.00 174.62 173.48 2kb4 s ALA 33 N 0.01 3.52 0.86 11.08 0.00 -1.26 -5.09 121.76 130.89 2kb4 s ALA 33 Ca 0.05 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 2kb4 s ALA 33 Cb -0.12 -2.74 0.17 0.00 0.00 0.00 0.00 23.12 20.42 2kb4 s ALA 33 CO 0.01 -0.29 1.07 -0.35 0.00 0.00 0.00 175.76 176.20 2kb4 n PRO 34 N 4.41 -0.63 -2.44 0.00 -0.04 -1.26 -4.99 135.00 130.07 2kb4 n PRO 34 Ca -0.06 -2.19 -0.41 0.00 -0.04 0.00 0.00 63.50 60.80 2kb4 n PRO 34 Cb 0.51 -0.93 -0.03 0.00 -0.04 0.00 0.00 33.50 33.01 2kb4 n PRO 34 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 35 N -3.56 2.77 -0.78 0.55 0.00 -1.26 -4.94 121.76 114.54 2kb4 s ALA 35 Ca 0.65 -0.89 -0.23 0.00 0.00 0.00 0.00 51.96 51.49 2kb4 s ALA 35 Cb -0.03 -4.15 0.06 0.00 0.00 0.00 0.00 23.12 19.00 2kb4 s ALA 35 CO 0.44 -3.07 1.16 0.45 0.00 0.00 0.00 175.76 174.74 2kb4 s SER 36 N 4.31 6.29 0.14 0.00 0.15 -1.26 -4.98 113.70 118.34 2kb4 s SER 36 Ca 0.47 -1.06 0.07 0.00 0.70 0.00 0.00 55.95 56.14 2kb4 s SER 36 Cb -0.10 -2.48 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 2kb4 s SER 36 CO 0.22 -1.52 -0.04 0.28 1.20 0.00 0.00 173.24 173.38 2kb4 s THR 37 N 4.51 3.61 -0.67 6.45 -1.32 -1.26 -5.04 115.64 121.92 2kb4 s THR 37 Ca 0.31 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.49 2kb4 s THR 37 Cb -0.10 -2.76 0.38 0.00 -1.51 0.00 0.00 72.50 68.51 2kb4 s THR 37 CO 0.06 -0.00 1.53 0.61 -2.21 0.00 0.00 174.62 174.61 2kb4 n GLY 38 N 0.27 5.79 0.22 6.08 0.00 -1.26 -4.72 105.19 111.57 2kb4 n GLY 38 Ca -0.11 -2.64 0.09 0.00 0.00 0.00 0.00 46.02 43.37 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 2.93 1.08 0.00 4.61 0.00 -2.00 -2.68 119.26 123.20 2kb4 h ALA 39 Ca 0.41 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2kb4 h ALA 39 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2kb4 h ALA 39 CO 1.11 0.30 0.00 -0.85 0.00 0.00 0.00 179.25 179.81 2kb4 n GLU 40 N -3.49 0.08 0.02 0.00 0.28 -1.26 -2.80 120.64 113.47 2kb4 n GLU 40 Ca -0.00 0.36 -0.18 0.00 -0.16 0.00 0.00 57.16 57.17 2kb4 n GLU 40 Cb 0.40 -1.66 -0.11 0.00 1.43 0.00 0.00 31.44 31.50 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb4 h ASN 41 N 0.00 0.64 -3.97 -1.84 -1.24 -1.88 -3.50 115.58 103.79 2kb4 h ASN 41 Ca 0.00 -0.77 0.00 0.00 0.71 0.00 0.00 56.30 56.24 2kb4 h ASN 41 Cb 0.25 -0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.10 2kb4 h ASN 41 CO 0.00 1.32 -0.61 -0.11 -1.29 0.00 0.00 177.43 176.74 2kb4 n LEU 42 N -4.11 -4.72 -4.58 0.34 -0.00 -1.12 -4.95 117.00 97.86 2kb4 n LEU 42 Ca -0.11 1.99 -0.42 0.00 -0.00 0.00 0.00 56.01 57.48 2kb4 n LEU 42 Cb 0.74 -2.39 -0.06 0.00 -0.00 0.00 0.00 43.42 41.71 2kb4 n LEU 42 CO 0.50 -1.37 0.45 -2.16 -0.00 0.00 0.00 177.39 174.80 2kb4 s PRO 43 N -1.37 3.77 -1.22 1.96 0.05 -1.26 -4.99 135.00 131.94 2kb4 s PRO 43 Ca 0.00 0.22 -0.18 0.00 0.05 0.00 0.00 61.00 61.09 2kb4 s PRO 43 Cb 0.00 -3.78 0.09 0.00 0.05 0.00 0.00 34.50 30.86 2kb4 s PRO 43 CO 0.00 -0.72 1.60 0.00 0.05 0.00 0.00 177.00 177.93 2kb4 s ALA 44 N 2.80 3.38 -0.33 8.56 0.00 -1.26 -4.62 121.76 130.29 2kb4 s ALA 44 Ca 0.27 -2.91 -0.05 0.00 0.00 0.00 0.00 51.96 49.26 2kb4 s ALA 44 Cb -0.14 -4.49 0.19 0.00 0.00 0.00 0.00 23.12 18.67 2kb4 s ALA 44 CO 0.14 -3.22 0.93 0.20 0.00 0.00 0.00 175.76 173.82 2kb4 s GLY 45 N 4.01 -1.30 0.30 0.00 0.00 -1.26 -3.37 107.32 105.70 2kb4 s GLY 45 Ca 0.49 1.30 -0.08 0.00 0.00 0.00 0.00 44.72 46.43 2kb4 s GLY 45 CO 0.03 4.09 0.61 -0.56 0.00 0.00 0.00 173.10 177.26 2kb4 s SER 46 N 2.29 6.53 0.22 1.64 0.01 0.64 -4.51 113.70 120.53 2kb4 s SER 46 Ca 0.18 0.89 0.02 0.00 1.31 0.00 0.00 55.95 58.36 2kb4 s SER 46 Cb -0.01 -2.22 -0.05 0.00 0.21 0.00 0.00 66.02 63.96 2kb4 s SER 46 CO -0.17 -0.21 0.03 0.00 0.41 0.00 0.00 173.24 173.30 2kb4 s ALA 47 N -2.08 1.64 0.04 1.44 0.00 -0.86 -1.07 121.76 120.88 2kb4 s ALA 47 Ca 0.47 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.72 2kb4 s ALA 47 Cb -0.11 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.66 2kb4 s ALA 47 CO 0.27 -0.34 -0.09 -0.48 0.00 0.00 0.00 175.76 175.12 2kb4 s LEU 48 N -3.27 2.22 -0.01 0.00 -0.00 0.62 0.12 118.68 118.36 2kb4 s LEU 48 Ca 0.30 -0.50 0.07 0.00 -0.00 0.00 0.00 54.13 54.00 2kb4 s LEU 48 Cb 0.07 -0.28 -0.02 0.00 -0.00 0.00 0.00 46.19 45.95 2kb4 s LEU 48 CO 0.09 -0.12 -0.21 -1.48 -0.00 0.00 0.00 176.35 174.62 2kb4 s LEU 49 N -1.38 2.05 -0.05 1.48 -0.00 -0.72 -0.90 118.68 119.15 2kb4 s LEU 49 Ca -0.06 -0.40 0.04 0.00 -0.00 0.00 0.00 54.13 53.71 2kb4 s LEU 49 Cb -0.09 -1.10 0.00 0.00 -0.00 0.00 0.00 46.19 45.00 2kb4 s LEU 49 CO 0.01 0.26 -0.16 -0.69 -0.00 0.00 0.00 176.35 175.76 2kb4 s VAL 50 N -0.52 1.38 -0.34 1.48 1.01 -0.15 -1.16 120.40 122.10 2kb4 s VAL 50 Ca 0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 2kb4 s VAL 50 Cb -0.08 -1.21 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2kb4 s VAL 50 CO -0.01 0.40 0.57 -0.69 0.00 0.00 0.00 175.10 175.38 2kb4 s VAL 51 N 0.23 4.96 0.01 2.92 1.01 -0.67 -0.84 120.40 128.03 2kb4 s VAL 51 Ca -0.08 0.50 0.07 0.00 0.00 0.00 0.00 61.98 62.47 2kb4 s VAL 51 Cb -0.13 -4.01 -0.24 0.00 0.00 0.00 0.00 36.38 32.01 2kb4 s VAL 51 CO 0.03 -0.24 0.87 0.50 0.00 0.00 0.00 175.10 176.26 2kb4 h LYS 52 N 8.42 0.06 -2.06 2.72 3.64 -1.79 -3.40 116.57 124.16 2kb4 h LYS 52 Ca -0.27 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 58.96 2kb4 h LYS 52 Cb 1.12 0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.77 2kb4 h LYS 52 CO 0.80 0.80 0.10 0.50 -2.27 0.00 0.00 179.45 179.37 2kb4 s ARG 53 N -2.63 0.81 0.00 1.90 3.52 -1.21 -5.04 118.95 116.30 2kb4 s ARG 53 Ca -0.05 0.97 0.00 0.00 -0.13 0.00 0.00 55.73 56.53 2kb4 s ARG 53 Cb 0.08 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.86 2kb4 s ARG 53 CO 0.83 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.63 2kb4 n GLY 54 N 2.76 4.26 0.00 8.12 0.00 -1.26 -3.00 105.19 116.06 2kb4 n GLY 54 Ca -0.14 -1.38 0.04 0.00 0.00 0.00 0.00 46.02 44.53 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -1.59 0.04 -0.05 1.61 -0.02 -1.26 -3.05 135.00 130.68 2kb4 n PRO 55 Ca 0.00 0.31 -0.11 0.00 -2.02 0.00 0.00 63.50 61.68 2kb4 n PRO 55 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.93 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 2kb4 h ASN 56 N 0.00 -1.31 -0.45 2.55 2.35 -1.84 -3.39 115.58 113.50 2kb4 h ASN 56 Ca 0.00 0.19 0.08 0.00 -0.55 0.00 0.00 56.30 56.02 2kb4 h ASN 56 Cb 0.12 0.55 -0.02 0.00 0.05 0.00 0.00 38.32 39.03 2kb4 h ASN 56 CO 0.00 -0.39 0.21 0.00 -1.65 0.00 0.00 177.43 175.60 2kb4 n ALA 57 N -2.97 -0.82 -2.17 -0.83 0.00 -1.17 -4.25 120.51 108.30 2kb4 n ALA 57 Ca -0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 53.44 53.22 2kb4 n ALA 57 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.21 0.70 3.73 0.00 0.00 -1.26 -4.41 105.19 103.75 2kb4 n GLY 58 Ca 0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 0.08 0.57 -3.63 4.61 0.00 -1.26 -4.85 120.51 116.02 2kb4 n ALA 59 Ca -0.18 -2.29 -0.16 0.00 0.00 0.00 0.00 53.44 50.81 2kb4 n ALA 59 Cb 0.83 1.16 -0.16 0.00 0.00 0.00 0.00 19.45 21.28 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 -3.99 0.25 0.10 0.00 1.70 -1.26 -1.66 118.95 114.08 2kb4 s ARG 60 Ca 0.10 0.07 0.09 0.00 -0.47 0.00 0.00 55.73 55.52 2kb4 s ARG 60 Cb -0.01 -0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 33.92 2kb4 s ARG 60 CO 0.06 -0.12 -0.24 -0.06 -1.08 0.00 0.00 175.30 173.86 2kb4 s PHE 61 N 0.90 2.10 -0.31 5.89 0.08 -0.31 -4.96 117.98 121.38 2kb4 s PHE 61 Ca -0.09 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 2kb4 s PHE 61 Cb -0.12 -1.17 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 2kb4 s PHE 61 CO -0.02 0.24 0.27 -1.17 -0.10 0.00 0.00 175.22 174.44 2kb4 s LEU 62 N -1.77 4.29 -0.34 -0.37 0.20 -1.26 -1.76 118.68 117.66 2kb4 s LEU 62 Ca 0.11 -0.16 -0.20 0.00 0.69 0.00 0.00 54.13 54.56 2kb4 s LEU 62 Cb -0.10 -2.22 -0.00 0.00 -0.43 0.00 0.00 46.19 43.44 2kb4 s LEU 62 CO 0.04 -0.20 0.63 -0.76 -0.29 0.00 0.00 176.35 175.78 2kb4 s LEU 63 N 1.85 4.22 0.00 -0.68 1.43 0.12 -4.79 118.68 120.83 2kb4 s LEU 63 Ca 0.09 0.23 0.00 0.00 -1.03 0.00 0.00 54.13 53.42 2kb4 s LEU 63 Cb -0.17 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.27 2kb4 s LEU 63 CO 0.11 -0.55 0.00 -0.67 0.23 0.00 0.00 176.35 175.47 2kb4 n ASP 64 N 5.98 4.28 -4.72 2.29 2.03 -1.26 -2.03 116.55 123.12 2kb4 n ASP 64 Ca -0.01 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.88 2kb4 n ASP 64 Cb 0.49 0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 41.13 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 -1.93 4.23 0.41 -0.67 0.00 -1.26 -4.41 119.66 116.03 2kb4 s GLN 65 Ca 0.00 2.32 0.09 0.00 -0.00 0.00 0.00 55.36 57.77 2kb4 s GLN 65 Cb 0.00 -3.17 0.87 0.00 0.00 0.00 0.00 33.01 30.72 2kb4 s GLN 65 CO 0.00 -0.58 2.02 -1.00 0.00 0.00 0.00 175.29 175.73 2kb4 h PRO 66 N 6.75 0.39 -5.01 9.60 0.13 -1.87 -3.41 132.00 138.58 2kb4 h PRO 66 Ca -0.43 -0.04 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 2kb4 h PRO 66 Cb 1.21 -0.08 -0.28 0.00 0.13 0.00 0.00 31.00 31.98 2kb4 h PRO 66 CO 0.90 0.33 -0.72 0.99 -0.23 0.00 0.00 178.00 179.27 2kb4 s THR 67 N -5.19 3.37 -0.24 1.56 2.01 -1.26 -1.49 115.64 114.40 2kb4 s THR 67 Ca -0.07 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.45 2kb4 s THR 67 Cb 0.17 -2.53 0.04 0.00 0.01 0.00 0.00 72.50 70.19 2kb4 s THR 67 CO 0.73 0.43 -0.12 -0.89 -0.69 0.00 0.00 174.62 174.07 2kb4 s THR 68 N 1.44 2.32 -0.21 -0.82 2.01 -0.01 -4.98 115.64 115.38 2kb4 s THR 68 Ca 0.05 -1.29 -0.09 0.00 0.31 0.00 0.00 61.69 60.68 2kb4 s THR 68 Cb -0.14 -2.21 -0.04 0.00 0.01 0.00 0.00 72.50 70.11 2kb4 s THR 68 CO -0.03 0.19 0.11 -0.89 -0.69 0.00 0.00 174.62 173.30 2kb4 s THR 69 N 1.21 5.05 -0.21 -0.82 2.01 -1.26 -0.03 115.64 121.59 2kb4 s THR 69 Ca -0.03 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.97 2kb4 s THR 69 Cb -0.17 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 2kb4 s THR 69 CO -0.07 0.41 0.04 0.00 -0.69 0.00 0.00 174.62 174.31 2kb4 s ALA 70 N 0.69 3.20 0.00 7.40 0.00 0.63 -1.10 121.76 132.58 2kb4 s ALA 70 Ca 0.06 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.07 2kb4 s ALA 70 Cb -0.13 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.08 2kb4 s ALA 70 CO 0.01 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2kb4 n GLY 71 N 4.20 -0.60 2.65 0.00 0.00 -1.26 -0.72 105.19 109.45 2kb4 n GLY 71 Ca -0.17 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.95 2kb4 n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kb4 s ARG 72 N -1.26 1.49 0.29 1.61 1.70 0.42 -4.39 118.95 118.81 2kb4 s ARG 72 Ca 0.00 -2.42 -0.04 0.00 -0.47 0.00 0.00 55.73 52.80 2kb4 s ARG 72 Cb 0.00 -2.32 -0.01 0.00 -0.57 0.00 0.00 34.95 32.05 2kb4 s ARG 72 CO 0.00 -1.28 0.39 -1.01 -1.08 0.00 0.00 175.30 172.33 2kb4 s HIS 73 N -0.26 0.96 0.33 5.89 3.76 -1.26 -4.86 115.29 119.84 2kb4 s HIS 73 Ca 0.25 -1.19 0.32 0.00 -0.15 0.00 0.00 55.06 54.29 2kb4 s HIS 73 Cb -0.09 -0.15 1.55 0.00 1.11 0.00 0.00 32.58 34.99 2kb4 s HIS 73 CO -0.11 -0.98 2.07 -1.35 -0.85 0.00 0.00 174.74 173.51 2kb4 h PRO 74 N 2.25 0.00 -3.34 8.40 0.11 -1.99 -3.27 132.00 134.15 2kb4 h PRO 74 Ca -0.29 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 65.07 2kb4 h PRO 74 Cb 1.24 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.20 2kb4 h PRO 74 CO 0.40 0.07 2.09 0.39 -0.21 0.00 0.00 178.00 180.74 2kb4 n GLU 75 N -3.33 3.79 -3.65 1.05 -0.58 -1.26 -4.82 120.64 111.85 2kb4 n GLU 75 Ca -0.01 -3.52 -0.24 0.00 -0.42 0.00 0.00 57.16 52.97 2kb4 n GLU 75 Cb 0.25 -2.87 -0.17 0.00 -0.57 0.00 0.00 31.44 28.08 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2kb4 s SER 76 N 0.73 2.00 0.19 1.62 0.01 -1.24 -4.77 113.70 112.25 2kb4 s SER 76 Ca 0.42 -0.40 -0.02 0.00 1.31 0.00 0.00 55.95 57.26 2kb4 s SER 76 Cb 0.11 -0.25 0.11 0.00 0.21 0.00 0.00 66.02 66.20 2kb4 s SER 76 CO -0.01 -0.31 1.49 -0.78 0.41 0.00 0.00 173.24 174.04 2kb4 h ASP 77 N 8.41 0.55 -3.47 2.44 3.58 -1.43 -3.44 116.42 123.06 2kb4 h ASP 77 Ca -0.14 -0.31 -0.41 0.00 0.42 0.00 0.00 57.03 56.59 2kb4 h ASP 77 Cb 1.14 -0.16 -0.14 0.00 1.72 0.00 0.00 39.33 41.88 2kb4 h ASP 77 CO 0.25 1.02 -0.72 0.27 -2.88 0.00 0.00 179.24 177.18 2kb4 s ILE 78 N -3.88 1.51 -0.12 2.25 -0.00 -1.25 -5.01 121.20 114.70 2kb4 s ILE 78 Ca -0.07 -2.15 -0.03 0.00 -0.00 0.00 0.00 60.65 58.40 2kb4 s ILE 78 Cb 0.11 -2.02 -0.03 0.00 -0.00 0.00 0.00 42.46 40.52 2kb4 s ILE 78 CO 0.84 -0.62 -0.00 -0.36 -0.00 0.00 0.00 174.94 174.80 2kb4 s PHE 79 N -3.11 3.14 -0.03 1.37 0.08 -1.26 -4.53 117.98 113.63 2kb4 s PHE 79 Ca 0.21 0.05 0.05 0.00 0.12 0.00 0.00 56.93 57.36 2kb4 s PHE 79 Cb 0.01 -1.87 -0.01 0.00 -0.57 0.00 0.00 43.02 40.58 2kb4 s PHE 79 CO 0.05 0.29 -0.18 -0.51 -0.10 0.00 0.00 175.22 174.77 2kb4 s LEU 80 N -0.38 1.99 -0.40 -0.37 1.02 -1.26 -4.29 118.68 114.98 2kb4 s LEU 80 Ca 0.07 -0.35 0.06 0.00 0.02 0.00 0.00 54.13 53.93 2kb4 s LEU 80 Cb -0.12 -0.98 0.20 0.00 0.02 0.00 0.00 46.19 45.32 2kb4 s LEU 80 CO 0.02 0.20 0.42 -0.67 0.02 0.00 0.00 176.35 176.34 2kb4 n ASP 81 N 2.86 -0.27 -4.46 2.29 -0.08 -1.26 -4.87 116.55 110.75 2kb4 n ASP 81 Ca -0.16 -2.52 -0.24 0.00 -1.51 0.00 0.00 54.79 50.36 2kb4 n ASP 81 Cb 0.53 -0.54 -0.10 0.00 2.34 0.00 0.00 41.12 43.35 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2kb4 s ASP 82 N -0.46 3.53 0.36 1.67 2.15 -1.26 -3.53 116.67 119.13 2kb4 s ASP 82 Ca 0.34 -1.03 0.17 0.00 0.43 0.00 0.00 52.55 52.46 2kb4 s ASP 82 Cb 0.10 -0.29 0.65 0.00 -0.30 0.00 0.00 42.92 43.07 2kb4 s ASP 82 CO -0.16 0.03 1.73 1.62 -0.17 0.00 0.00 175.17 178.22 2kb4 h VAL 83 N 2.30 1.02 -0.23 1.11 3.04 -1.98 -3.19 116.25 118.32 2kb4 h VAL 83 Ca -0.40 -1.58 0.00 0.00 -1.01 0.00 0.00 66.70 63.71 2kb4 h VAL 83 Cb 1.26 1.93 0.00 0.00 -2.01 0.00 0.00 31.29 32.46 2kb4 h VAL 83 CO 0.60 0.41 0.00 0.35 -1.01 0.00 0.00 177.57 177.92 2kb4 n THR 84 N -3.65 1.57 -2.78 3.17 -2.24 -1.26 -4.93 114.28 104.15 2kb4 n THR 84 Ca -0.01 -1.46 -0.42 0.00 -2.27 0.00 0.00 64.05 59.89 2kb4 n THR 84 Cb 0.51 0.15 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.87 4.77 0.24 2.28 0.11 -1.21 -4.77 120.40 119.95 2kb4 s VAL 85 Ca 0.28 1.79 -0.04 0.00 -2.93 0.00 0.00 61.98 61.08 2kb4 s VAL 85 Cb 0.20 -4.21 0.05 0.00 -1.53 0.00 0.00 36.38 30.90 2kb4 s VAL 85 CO 0.10 -0.11 0.32 -0.24 -3.33 0.00 0.00 175.10 171.84 2kb4 n SER 86 N 6.06 0.04 0.10 3.54 2.88 -1.26 -4.90 113.62 120.08 2kb4 n SER 86 Ca 0.08 -1.13 -0.13 0.00 -1.33 0.00 0.00 58.87 56.36 2kb4 n SER 86 Cb 0.47 -0.25 -0.08 0.00 -0.75 0.00 0.00 64.21 63.61 2kb4 n SER 86 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2kb4 h ARG 87 N 0.00 -0.20 -3.23 -1.46 2.43 -1.94 -3.24 114.38 106.75 2kb4 h ARG 87 Ca -0.10 0.01 -0.58 0.00 -0.81 0.00 0.00 59.98 58.50 2kb4 h ARG 87 Cb 0.29 0.04 -0.40 0.00 -0.42 0.00 0.00 29.97 29.49 2kb4 h ARG 87 CO 0.08 -0.04 -0.77 0.50 -1.51 0.00 0.00 179.97 178.23 2kb4 s ARG 88 N -5.69 0.67 -0.17 0.20 3.52 -1.26 -0.44 118.95 115.78 2kb4 s ARG 88 Ca -0.14 -1.12 -0.15 0.00 -0.13 0.00 0.00 55.73 54.19 2kb4 s ARG 88 Cb 0.04 -1.80 -0.11 0.00 -1.56 0.00 0.00 34.95 31.53 2kb4 s ARG 88 CO 0.64 -1.04 0.05 1.25 -0.81 0.00 0.00 175.30 175.39 2kb4 h HIS 89 N 7.86 0.00 -3.37 5.12 2.76 -1.11 -2.81 115.15 123.60 2kb4 h HIS 89 Ca -0.11 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 57.93 2kb4 h HIS 89 Cb 1.00 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.76 2kb4 h HIS 89 CO 0.37 0.68 -0.40 0.00 -1.30 0.00 0.00 177.93 177.28 2kb4 s ALA 90 N -2.54 -0.49 -0.11 5.26 0.00 -0.92 -0.15 121.76 122.82 2kb4 s ALA 90 Ca -0.20 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.78 2kb4 s ALA 90 Cb 0.03 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.30 2kb4 s ALA 90 CO 0.38 -0.26 -0.22 -1.21 0.00 0.00 0.00 175.76 174.45 2kb4 s GLU 91 N -1.65 2.92 -0.20 0.00 2.02 0.44 -0.27 118.70 121.97 2kb4 s GLU 91 Ca -0.12 -0.83 -0.07 0.00 0.02 0.00 0.00 54.97 53.97 2kb4 s GLU 91 Cb -0.05 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 2kb4 s GLU 91 CO 0.01 0.09 0.06 0.12 0.02 0.00 0.00 175.26 175.56 2kb4 s PHE 92 N 0.55 3.20 -0.21 1.61 5.36 0.95 -0.34 117.98 129.09 2kb4 s PHE 92 Ca -0.14 -0.05 -0.05 0.00 -0.96 0.00 0.00 56.93 55.74 2kb4 s PHE 92 Cb -0.17 -2.11 -0.02 0.00 -0.34 0.00 0.00 43.02 40.39 2kb4 s PHE 92 CO 0.04 0.03 -0.01 1.03 -1.46 0.00 0.00 175.22 174.85 2kb4 s ARG 93 N 0.65 3.51 -0.15 10.12 0.52 0.98 -0.83 118.95 133.74 2kb4 s ARG 93 Ca 0.03 -0.56 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 2kb4 s ARG 93 Cb -0.13 -3.07 -0.00 0.00 0.52 0.00 0.00 34.95 32.27 2kb4 s ARG 93 CO 0.02 -0.10 -0.15 -1.50 0.02 0.00 0.00 175.30 173.59 2kb4 s ILE 94 N 1.27 2.71 0.06 1.52 -1.16 -0.56 -1.15 121.20 123.89 2kb4 s ILE 94 Ca 0.04 -0.76 0.09 0.00 -0.51 0.00 0.00 60.65 59.51 2kb4 s ILE 94 Cb -0.15 -2.15 -0.03 0.00 0.61 0.00 0.00 42.46 40.75 2kb4 s ILE 94 CO 0.00 0.51 -0.23 0.21 -2.81 0.00 0.00 174.94 172.63 2kb4 s ASN 95 N 0.77 3.46 0.59 4.50 3.84 -0.41 -4.62 114.94 123.07 2kb4 s ASN 95 Ca -0.06 -0.55 0.39 0.00 0.21 0.00 0.00 52.86 52.85 2kb4 s ASN 95 Cb -0.15 -0.41 2.06 0.00 -0.55 0.00 0.00 41.25 42.20 2kb4 s ASN 95 CO 0.01 0.24 2.20 1.05 -2.79 0.00 0.00 177.10 177.81 2kb4 h GLU 96 N 4.51 0.00 0.00 0.43 9.09 -1.84 -2.73 114.58 124.03 2kb4 h GLU 96 Ca -0.48 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 58.64 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 -2.08 0.41 0.05 0.00 0.00 179.01 177.83 2kb4 n GLY 97 N -0.90 -0.68 3.11 1.06 0.00 -1.26 -4.80 105.19 101.72 2kb4 n GLY 97 Ca -0.02 -0.24 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 2kb4 n GLY 97 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kb4 s GLU 98 N -2.38 0.59 -0.08 1.61 -1.05 -1.03 -5.16 118.70 111.20 2kb4 s GLU 98 Ca -0.11 -0.84 0.02 0.00 -0.15 0.00 0.00 54.97 53.89 2kb4 s GLU 98 Cb 0.05 0.23 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 2kb4 s GLU 98 CO 0.61 -0.14 -0.14 -0.06 0.95 0.00 0.00 175.26 176.48 2kb4 s PHE 99 N -2.83 1.65 -0.04 4.83 0.08 -1.26 -1.28 117.98 119.12 2kb4 s PHE 99 Ca -0.03 -0.66 0.04 0.00 0.12 0.00 0.00 56.93 56.40 2kb4 s PHE 99 Cb 0.00 -1.20 -0.00 0.00 -0.57 0.00 0.00 43.02 41.25 2kb4 s PHE 99 CO -0.06 -0.34 -0.14 -2.00 -0.10 0.00 0.00 175.22 172.58 2kb4 s GLU 100 N 0.74 1.50 -0.10 0.44 2.12 -0.30 -0.44 118.70 122.66 2kb4 s GLU 100 Ca -0.13 -0.50 0.04 0.00 0.36 0.00 0.00 54.97 54.74 2kb4 s GLU 100 Cb -0.16 -1.32 0.00 0.00 0.26 0.00 0.00 34.13 32.91 2kb4 s GLU 100 CO 0.03 0.19 -0.23 0.54 -0.54 0.00 0.00 175.26 175.25 2kb4 s VAL 101 N 0.11 1.99 -0.12 3.70 0.11 -0.22 -0.02 120.40 125.94 2kb4 s VAL 101 Ca -0.04 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2kb4 s VAL 101 Cb -0.11 -1.72 -0.01 0.00 -1.53 0.00 0.00 36.38 33.01 2kb4 s VAL 101 CO 0.02 0.54 -0.16 0.68 -3.33 0.00 0.00 175.10 172.85 2kb4 s VAL 102 N 0.39 2.75 -0.22 2.04 -7.23 0.54 -0.77 120.40 117.90 2kb4 s VAL 102 Ca -0.18 -0.77 -0.23 0.00 -1.81 0.00 0.00 61.98 58.99 2kb4 s VAL 102 Cb -0.18 -2.13 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 2kb4 s VAL 102 CO 0.08 0.53 0.75 -0.62 -0.31 0.00 0.00 175.10 175.54 2kb4 s ASP 103 N 0.37 6.78 0.00 4.85 2.15 0.72 -0.42 116.67 131.12 2kb4 s ASP 103 Ca -0.13 0.96 0.02 0.00 0.43 0.00 0.00 52.55 53.83 2kb4 s ASP 103 Cb -0.16 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 40.06 2kb4 s ASP 103 CO 0.06 -0.42 0.50 1.33 -0.17 0.00 0.00 175.17 176.48 2kb4 n VAL 104 N 5.04 0.00 -2.37 1.11 0.24 -0.22 -4.65 118.33 117.48 2kb4 n VAL 104 Ca 0.03 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.34 61.51 2kb4 n VAL 104 Cb 0.48 1.03 0.01 0.00 -1.47 0.00 0.00 33.84 33.90 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N 0.21 5.82 0.00 7.63 0.00 0.78 -4.78 105.19 114.85 2kb4 n GLY 105 Ca 0.01 -2.66 0.02 0.00 0.00 0.00 0.00 46.02 43.39 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.44 0.00 0.23 1.61 7.64 -1.26 -0.57 113.62 120.83 2kb4 n SER 106 Ca 0.44 0.17 0.06 0.00 1.01 0.00 0.00 58.87 60.55 2kb4 n SER 106 Cb 0.45 -0.25 0.56 0.00 -1.01 0.00 0.00 64.21 63.96 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 0.00 0.02 0.00 -3.43 3.38 -1.97 -3.33 115.31 109.99 2kb4 h LEU 107 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kb4 h LEU 107 Cb 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.78 2kb4 h LEU 107 CO 0.00 0.12 -0.71 0.59 0.09 0.00 0.00 178.44 178.52 2kb4 n ASN 108 N -4.42 2.74 0.00 -0.43 4.13 -0.36 -5.14 115.26 111.78 2kb4 n ASN 108 Ca -0.02 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.24 2kb4 n ASN 108 Cb 0.17 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.41 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2kb4 n GLY 109 N 2.91 -0.53 3.74 7.41 0.00 0.27 -5.00 105.19 114.00 2kb4 n GLY 109 Ca 0.00 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N -0.68 4.46 -0.09 2.61 2.01 -1.26 -4.72 115.64 117.95 2kb4 s THR 110 Ca 0.00 1.93 0.02 0.00 0.31 0.00 0.00 61.69 63.95 2kb4 s THR 110 Cb 0.00 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2kb4 s THR 110 CO 0.00 0.39 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.87 2kb4 s TYR 111 N -0.37 2.75 -0.25 4.92 2.02 -1.00 -0.49 117.35 124.94 2kb4 s TYR 111 Ca 0.43 -0.46 0.03 0.00 -0.37 0.00 0.00 57.07 56.69 2kb4 s TYR 111 Cb -0.23 -1.75 0.06 0.00 -0.40 0.00 0.00 41.96 39.64 2kb4 s TYR 111 CO 0.28 -0.06 -0.11 0.08 -1.57 0.00 0.00 175.55 174.18 2kb4 s VAL 112 N -0.10 2.07 -0.80 0.71 1.01 0.84 0.03 120.40 124.17 2kb4 s VAL 112 Ca -0.02 -1.51 -0.01 0.00 0.00 0.00 0.00 61.98 60.44 2kb4 s VAL 112 Cb -0.14 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.07 2kb4 s VAL 112 CO 0.04 0.02 0.62 -3.20 0.00 0.00 0.00 175.10 172.58 2kb4 n ASN 113 N 4.48 -5.42 0.00 3.32 2.85 0.13 -2.09 115.26 118.54 2kb4 n ASN 113 Ca -0.14 -0.77 0.00 0.00 -0.11 0.00 0.00 54.58 53.55 2kb4 n ASN 113 Cb 0.43 -2.35 0.00 0.00 1.24 0.00 0.00 39.78 39.10 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2kb4 n ARG 114 N -2.39 0.00 -3.14 1.20 1.74 -1.26 -4.94 116.66 107.87 2kb4 n ARG 114 Ca -0.25 0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.42 2kb4 n ARG 114 Cb 0.66 -0.99 -0.07 0.00 -1.02 0.00 0.00 32.46 31.04 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2kb4 s GLU 115 N 0.00 3.95 0.14 5.56 0.41 -0.89 -5.03 118.70 122.84 2kb4 s GLU 115 Ca 0.00 0.31 -0.31 0.00 -0.41 0.00 0.00 54.97 54.56 2kb4 s GLU 115 Cb 0.00 -3.71 -0.10 0.00 -1.78 0.00 0.00 34.13 28.54 2kb4 s GLU 115 CO 0.00 -0.51 1.64 -2.14 -0.49 0.00 0.00 175.26 173.76 2kb4 s PRO 116 N 2.53 4.19 0.05 0.39 0.02 -1.26 -0.11 135.00 140.81 2kb4 s PRO 116 Ca 0.24 2.42 0.08 0.00 0.02 0.00 0.00 61.00 63.76 2kb4 s PRO 116 Cb -0.15 -3.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.04 2kb4 s PRO 116 CO 0.11 -0.69 -0.23 1.03 -0.33 0.00 0.00 177.00 176.89 2kb4 s ARG 117 N 1.70 1.50 -0.17 5.54 1.81 0.36 -4.90 118.95 124.79 2kb4 s ARG 117 Ca 0.73 -1.02 0.04 0.00 -1.72 0.00 0.00 55.73 53.75 2kb4 s ARG 117 Cb -0.44 -1.66 -0.22 0.00 -0.45 0.00 0.00 34.95 32.18 2kb4 s ARG 117 CO 0.32 0.42 0.16 0.09 -0.68 0.00 0.00 175.30 175.61 2kb4 n ASN 118 N 1.74 1.51 -3.76 0.23 3.02 -1.26 -4.13 115.26 112.61 2kb4 n ASN 118 Ca -0.17 0.09 -0.13 0.00 -0.03 0.00 0.00 54.58 54.33 2kb4 n ASN 118 Cb 0.53 -0.25 -0.11 0.00 -0.61 0.00 0.00 39.78 39.34 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kb4 s ALA 119 N -2.54 -0.82 0.02 5.41 0.00 -1.26 -0.20 121.76 122.37 2kb4 s ALA 119 Ca -0.22 0.95 -0.00 0.00 0.00 0.00 0.00 51.96 52.69 2kb4 s ALA 119 Cb 0.08 -0.55 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 2kb4 s ALA 119 CO 0.73 -0.16 -0.02 -1.14 0.00 0.00 0.00 175.76 175.17 2kb4 s GLN 120 N 0.23 0.27 -0.22 0.00 2.00 0.05 -5.00 119.66 116.99 2kb4 s GLN 120 Ca -0.00 -0.52 -0.17 0.00 -2.00 0.00 0.00 55.36 52.67 2kb4 s GLN 120 Cb -0.03 0.10 -0.03 0.00 0.80 0.00 0.00 33.01 33.85 2kb4 s GLN 120 CO -0.00 -0.04 0.46 0.08 -0.50 0.00 0.00 175.29 175.29 2kb4 s VAL 121 N -1.25 5.13 0.33 1.34 1.01 -1.26 -1.06 120.40 124.64 2kb4 s VAL 121 Ca -0.14 0.82 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 2kb4 s VAL 121 Cb -0.09 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.41 2kb4 s VAL 121 CO -0.01 0.18 0.97 -0.04 0.00 0.00 0.00 175.10 176.20 2kb4 s MET 122 N 1.73 4.54 -0.04 2.72 1.00 0.42 -4.97 119.30 124.70 2kb4 s MET 122 Ca 0.21 1.41 0.06 0.00 0.00 0.00 0.00 55.69 57.37 2kb4 s MET 122 Cb -0.15 -2.83 -0.01 0.00 0.00 0.00 0.00 34.83 31.84 2kb4 s MET 122 CO 0.09 0.22 -0.23 -1.14 0.00 0.00 0.00 175.02 173.96 2kb4 s GLN 123 N -2.01 2.15 -0.07 2.03 0.74 -1.26 -4.63 119.66 116.62 2kb4 s GLN 123 Ca 0.50 -0.82 -0.30 0.00 0.05 0.00 0.00 55.36 54.79 2kb4 s GLN 123 Cb -0.21 -1.92 -0.02 0.00 1.10 0.00 0.00 33.01 31.96 2kb4 s GLN 123 CO 0.26 0.40 1.02 -0.08 -0.55 0.00 0.00 175.29 176.35 2kb4 s THR 124 N -0.28 4.75 0.00 -0.34 -1.32 -1.26 -3.26 115.64 113.93 2kb4 s THR 124 Ca 0.01 2.00 0.00 0.00 -1.21 0.00 0.00 61.69 62.50 2kb4 s THR 124 Cb -0.11 -4.29 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 2kb4 s THR 124 CO 0.02 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 2kb4 n GLY 125 N 3.07 0.87 3.51 6.08 0.00 0.76 -4.94 105.19 114.54 2kb4 n GLY 125 Ca 0.08 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.20 3.76 -0.11 1.61 2.15 -1.20 -4.99 116.67 115.69 2kb4 s ASP 126 Ca 0.00 -1.00 0.01 0.00 0.43 0.00 0.00 52.55 51.99 2kb4 s ASP 126 Cb 0.00 -0.39 -0.01 0.00 -0.30 0.00 0.00 42.92 42.22 2kb4 s ASP 126 CO 0.00 -0.01 -0.16 -0.70 -0.17 0.00 0.00 175.17 174.13 2kb4 s GLU 127 N -3.55 3.18 -0.16 4.34 2.12 -1.26 -2.21 118.70 121.15 2kb4 s GLU 127 Ca 0.31 -0.73 -0.06 0.00 0.36 0.00 0.00 54.97 54.85 2kb4 s GLU 127 Cb -0.04 -2.52 -0.04 0.00 0.26 0.00 0.00 34.13 31.79 2kb4 s GLU 127 CO 0.16 0.27 0.03 0.42 -0.54 0.00 0.00 175.26 175.60 2kb4 s ILE 128 N 0.19 4.52 -0.35 -3.70 1.09 0.88 -0.69 121.20 123.13 2kb4 s ILE 128 Ca -0.09 -0.14 -0.12 0.00 -1.10 0.00 0.00 60.65 59.20 2kb4 s ILE 128 Cb -0.16 -3.01 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 2kb4 s ILE 128 CO 0.06 0.49 0.22 -1.58 -0.10 0.00 0.00 174.94 174.03 2kb4 s GLN 129 N 0.17 3.19 -0.59 2.79 0.74 0.10 -0.21 119.66 125.87 2kb4 s GLN 129 Ca 0.03 -0.84 -0.15 0.00 0.05 0.00 0.00 55.36 54.45 2kb4 s GLN 129 Cb -0.13 -3.75 0.15 0.00 1.10 0.00 0.00 33.01 30.37 2kb4 s GLN 129 CO 0.01 -0.55 0.53 0.96 -0.55 0.00 0.00 175.29 175.69 2kb4 s ILE 130 N 1.64 5.18 0.00 -2.34 -4.36 0.80 -2.37 121.20 119.75 2kb4 s ILE 130 Ca 0.04 -1.71 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 2kb4 s ILE 130 Cb -0.18 -4.30 0.00 0.00 1.25 0.00 0.00 42.46 39.23 2kb4 s ILE 130 CO 0.08 -0.89 0.00 0.61 0.24 0.00 0.00 174.94 174.98 2kb4 n GLY 131 N 4.97 1.72 0.01 6.27 0.00 -1.26 -2.21 105.19 114.69 2kb4 n GLY 131 Ca -0.08 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.80 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 1.18 0.51 -3.59 1.61 5.02 -1.26 -4.99 118.16 116.64 2kb4 n LYS 132 Ca 0.00 -0.15 -0.21 0.00 -2.02 0.00 0.00 58.31 55.93 2kb4 n LYS 132 Cb 0.00 -1.39 -0.01 0.00 -0.02 0.00 0.00 35.03 33.61 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2kb4 s PHE 133 N -3.14 3.36 -0.01 2.13 0.08 -0.94 -5.05 117.98 114.40 2kb4 s PHE 133 Ca -0.06 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.12 2kb4 s PHE 133 Cb 0.11 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.70 2kb4 s PHE 133 CO 0.69 0.16 -0.25 1.03 -0.10 0.00 0.00 175.22 176.75 2kb4 s ARG 134 N -4.18 1.97 -0.05 0.44 0.52 -1.16 -0.14 118.95 116.35 2kb4 s ARG 134 Ca 0.40 -0.91 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 2kb4 s ARG 134 Cb -0.09 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.43 2kb4 s ARG 134 CO 0.32 0.53 -0.23 -1.17 0.02 0.00 0.00 175.30 174.76 2kb4 s LEU 135 N -0.66 2.04 -0.12 2.53 2.96 0.71 -2.39 118.68 123.74 2kb4 s LEU 135 Ca 0.10 -0.47 -0.01 0.00 -0.22 0.00 0.00 54.13 53.53 2kb4 s LEU 135 Cb -0.10 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 2kb4 s LEU 135 CO -0.01 0.24 -0.08 0.54 -1.32 0.00 0.00 176.35 175.73 2kb4 s VAL 136 N -0.23 3.54 -0.15 1.68 0.11 -0.02 -0.09 120.40 125.25 2kb4 s VAL 136 Ca -0.00 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 2kb4 s VAL 136 Cb -0.12 -2.50 -0.02 0.00 -1.53 0.00 0.00 36.38 32.20 2kb4 s VAL 136 CO 0.02 0.53 -0.08 0.12 -3.33 0.00 0.00 175.10 172.36 2kb4 s PHE 137 N 0.07 2.93 0.07 1.54 5.36 -0.94 -0.98 117.98 126.04 2kb4 s PHE 137 Ca -0.03 -0.46 0.06 0.00 -0.96 0.00 0.00 56.93 55.54 2kb4 s PHE 137 Cb -0.14 -1.91 -0.03 0.00 -0.34 0.00 0.00 43.02 40.60 2kb4 s PHE 137 CO 0.03 -0.12 -0.15 -0.51 -1.46 0.00 0.00 175.22 173.01 2kb4 s LEU 138 N 0.38 2.25 -0.06 6.12 2.01 -0.08 -0.17 118.68 129.14 2kb4 s LEU 138 Ca -0.07 -0.59 -0.13 0.00 0.01 0.00 0.00 54.13 53.36 2kb4 s LEU 138 Cb -0.15 -0.61 -0.05 0.00 0.01 0.00 0.00 46.19 45.39 2kb4 s LEU 138 CO 0.04 -0.02 0.33 0.00 1.01 0.00 0.00 176.35 177.70 2kb4 s ALA 139 N -1.14 3.71 0.00 4.21 0.00 -1.26 -0.28 121.76 127.00 2kb4 s ALA 139 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2kb4 s ALA 139 Cb -0.09 -2.30 0.00 0.00 0.00 0.00 0.00 23.12 20.73 2kb4 s ALA 139 CO 0.02 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.62 2kb4 n GLY 140 N 2.19 2.03 3.74 0.00 0.00 -0.23 -4.86 105.19 108.06 2kb4 n GLY 140 Ca -0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N 3.80 4.41 -0.25 1.61 0.04 -1.20 -4.76 135.00 138.66 2kb4 s PRO 141 Ca 0.00 2.02 -0.05 0.00 0.04 0.00 0.00 61.00 63.01 2kb4 s PRO 141 Cb 0.00 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.34 2kb4 s PRO 141 CO 0.00 -0.20 0.00 0.00 0.04 0.00 0.00 177.00 176.84 2kb4 s ALA 142 N -0.03 2.91 -2.00 8.56 0.00 -1.26 -0.26 121.76 129.69 2kb4 s ALA 142 Ca 0.55 -1.30 0.20 0.00 0.00 0.00 0.00 51.96 51.41 2kb4 s ALA 142 Cb -0.36 -1.88 1.19 0.00 0.00 0.00 0.00 23.12 22.07 2kb4 s ALA 142 CO 0.39 -0.65 1.58 -1.91 0.00 0.00 0.00 175.76 175.16